#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:42:14 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1316 $ #$URL: svn://localhost/testcod/cif/4/50/00/4500022.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4500022 loop_ _publ_author_name 'Cheung, Eugene Y.' 'Fujii, Kotaro' 'Guo, Fang' 'Harris, Kenneth D. M.' 'Hasebe, Sayoko' 'Kuroda, Reiko' _publ_section_title ; Structural Chemistry of a New Chiral Anhydrous Phase of Ru(bipy)3(ClO4)2Established from Powder X-ray Diffraction Analysis ; _journal_issue 8 _journal_name_full 'Crystal Growth & Design' _journal_page_first 3313 _journal_page_last 3317 _journal_paper_doi 10.1021/cg200379h _journal_volume 11 _journal_year 2011 _chemical_formula_sum 'C30 H24 Cl2 N6 O8 Ru' _chemical_formula_weight 768.53 _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _audit_creation_date 2009-11-25T17:08 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2009-11-25T17:08 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 4 _cell_length_a 10.1535(4) _cell_length_b 13.2333(6) _cell_length_c 23.7320(13) _cell_volume 3188.7(3) _computing_structure_refinement GSAS _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 1.54056 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _pd_block_id 2009-11-25T17:08|RUX|Kotaro_Fujii| _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.01672 _pd_meas_2theta_range_max 68.97072 _pd_meas_2theta_range_min 5.0 _pd_meas_number_of_points 3827 _pd_phase_name 'from C:/data/Rux/Rietveld/1.cif' _pd_proc_2theta_range_inc 0.01672 _pd_proc_2theta_range_max 69.00616 _pd_proc_2theta_range_min 5.03544 _pd_proc_info_datetime 2009-11-25T17:08:33 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 7 with 36 terms. Linear interpolation 1: 18967.7 2: 17159.6 3: 18084.2 4: 19731.0 5: 24210.3 6: 25701.0 7: 19779.2 8: 20143.8 9: 15424.3 10: 16138.4 11: 13441.7 12: 10553.7 13: 11169.9 14: 10710.2 15: 9311.01 16: 8440.35 17: 8010.10 18: 7071.74 19: 7462.77 20: 7311.40 21: 7272.65 22: 7375.49 23: 6608.50 24: 5628.39 25: 5205.02 26: 4968.04 27: 4352.52 28: 4145.10 29: 4047.16 30: 3877.47 31: 3605.25 32: 3470.81 33: 3353.39 34: 3274.69 35: 3243.44 36: 3079.80 ; _pd_proc_ls_peak_cutoff 0.00500 _pd_proc_ls_profile_function ; CW Profile function number 3 with 19 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. #1(GU) = 964.093 #2(GV) = -118.765 #3(GW) = 8.534 #4(GP) = 0.000 #5(LX) = 0.087 #6(LY) = 21.779 #7(S/L) = 0.0226 #8(H/L) = 0.0183 #9(trns) = 0.00 #10(shft)= 0.0000 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = 0.328 #15(L22) = 0.053 #16(L33) = 0.101 #17(L12) = -0.028 #18(L13) = 0.038 #19(L23) = -0.037 Peak tails are ignored where the intensity is below 0.0050 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0282 _pd_proc_ls_prof_wR_expected 0.0086 _pd_proc_ls_prof_wR_factor 0.0388 _pd_proc_number_of_points 3827 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 4.84 _refine_ls_matrix_type full _refine_ls_number_parameters 256 _refine_ls_number_restraints 266 _refine_ls_R_Fsqd_factor 0.05921 _refine_ls_shift/su_max 0.08 _refine_ls_shift/su_mean 0.02 _reflns_d_resolution_high 1.361 _reflns_d_resolution_low 11.866 _reflns_limit_h_max 7 _reflns_limit_h_min 0 _reflns_limit_k_max 10 _reflns_limit_k_min 0 _reflns_limit_l_max 17 _reflns_limit_l_min 0 _reflns_number_total 798 _cod_data_source_file cg200379h_si_001.cif _cod_data_source_block RUX_publ _cod_original_cell_volume 3188.7(4) _cod_database_code 4500022 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 +x+1/2,-y+1/2,-z 3 -x,+y+1/2,-z+1/2 4 -x+1/2,-y,+z+1/2 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Ru Ru1 0.4827(5) 0.99116(33) 0.35918(18) 1.0 Uiso 0.1681(29) 4 N N2 0.6122(12) 0.8716(7) 0.36617(25) 1.0 Uiso 0.1680(29) 4 C C3 0.5463(14) 0.7891(8) 0.38425(24) 1.0 Uiso 0.1680(29) 4 C C4 0.6121(21) 0.6989(8) 0.39233(29) 1.0 Uiso 0.1680(29) 4 C C5 0.7459(21) 0.6947(11) 0.3815(4) 1.0 Uiso 0.1680(29) 4 C C6 0.8102(15) 0.7798(15) 0.3632(4) 1.0 Uiso 0.1680(29) 4 C C7 0.7417(12) 0.8678(11) 0.35576(28) 1.0 Uiso 0.1680(29) 4 N N8 0.6318(4) 1.0970(4) 0.3545(6) 1.0 Uiso 0.1680(29) 4 C C9 0.6531(8) 1.1374(6) 0.4059(6) 1.0 Uiso 0.1680(29) 4 C C10 0.7488(11) 1.2107(6) 0.4132(9) 1.0 Uiso 0.1680(29) 4 C C11 0.8219(7) 1.2417(5) 0.3671(11) 1.0 Uiso 0.1680(29) 4 C C12 0.7983(7) 1.1993(8) 0.3154(9) 1.0 Uiso 0.1680(29) 4 C C13 0.7027(9) 1.1271(8) 0.3099(7) 1.0 Uiso 0.1680(29) 4 N N14 0.4793(11) 1.0292(8) 0.44367(21) 1.0 Uiso 0.1680(29) 4 C C15 0.5710(11) 1.1009(8) 0.4540(5) 1.0 Uiso 0.1680(29) 4 C C16 0.5876(16) 1.1391(10) 0.5080(6) 1.0 Uiso 0.1680(29) 4 C C17 0.5090(20) 1.1027(13) 0.5513(4) 1.0 Uiso 0.1680(29) 4 C C18 0.4171(17) 1.0303(13) 0.5399(4) 1.0 Uiso 0.1680(29) 4 C C19 0.4035(13) 0.9943(10) 0.4859(5) 1.0 Uiso 0.1680(29) 4 N N20 0.3432(11) 0.8884(9) 0.38640(15) 1.0 Uiso 0.1680(29) 4 C C21 0.4018(14) 0.7978(9) 0.39522(18) 1.0 Uiso 0.1680(29) 4 C C22 0.3291(21) 0.7155(9) 0.41390(20) 1.0 Uiso 0.1680(29) 4 C C23 0.1954(20) 0.7274(13) 0.42347(19) 1.0 Uiso 0.1680(29) 4 C C24 0.1379(13) 0.8199(16) 0.41421(24) 1.0 Uiso 0.1680(29) 4 C C25 0.2131(12) 0.8996(12) 0.39546(30) 1.0 Uiso 0.1680(29) 4 N N26 0.3586(4) 1.1072(5) 0.3352(7) 1.0 Uiso 0.1680(29) 4 C C27 0.3441(8) 1.1076(8) 0.2786(7) 1.0 Uiso 0.1680(29) 4 C C28 0.2654(10) 1.1788(11) 0.2526(8) 1.0 Uiso 0.1680(29) 4 C C29 0.2015(7) 1.2499(8) 0.2853(11) 1.0 Uiso 0.1680(29) 4 C C30 0.2175(6) 1.2481(5) 0.3426(11) 1.0 Uiso 0.1680(29) 4 C C31 0.2965(7) 1.1761(7) 0.3669(8) 1.0 Uiso 0.1680(29) 4 N N32 0.4904(9) 0.9620(9) 0.27366(23) 1.0 Uiso 0.1680(29) 4 C C33 0.4154(10) 1.0291(10) 0.2453(5) 1.0 Uiso 0.1680(29) 4 C C34 0.4049(14) 1.0251(14) 0.1871(5) 1.0 Uiso 0.1680(29) 4 C C35 0.4726(17) 0.9509(17) 0.15774(34) 1.0 Uiso 0.1680(29) 4 C C36 0.5482(15) 0.8836(13) 0.1874(6) 1.0 Uiso 0.1680(29) 4 C C37 0.5559(11) 0.8900(10) 0.2451(5) 1.0 Uiso 0.1680(29) 4 H H38 0.5659(26) 0.6402(9) 0.40552(34) 1.0 Uiso 0.210(4) 4 H H39 0.7936(27) 0.6330(13) 0.3873(5) 1.0 Uiso 0.210(4) 4 H H40 0.9032(15) 0.7778(20) 0.3559(5) 1.0 Uiso 0.210(4) 4 H H41 0.7868(15) 0.9273(14) 0.3429(4) 1.0 Uiso 0.210(4) 4 H H42 0.7641(16) 1.2397(9) 0.4497(10) 1.0 Uiso 0.210(4) 4 H H43 0.8886(9) 1.2926(6) 0.3713(14) 1.0 Uiso 0.210(4) 4 H H44 0.8482(11) 1.2205(12) 0.2831(11) 1.0 Uiso 0.210(4) 4 H H45 0.6860(15) 1.0976(11) 0.2736(6) 1.0 Uiso 0.210(4) 4 H H46 0.6526(17) 1.1901(10) 0.5153(9) 1.0 Uiso 0.210(4) 4 H H47 0.5192(25) 1.1283(17) 0.5889(5) 1.0 Uiso 0.210(4) 4 H H48 0.3621(20) 1.0048(17) 0.5696(6) 1.0 Uiso 0.210(4) 4 H H49 0.3385(12) 0.9435(10) 0.4782(8) 1.0 Uiso 0.210(4) 4 H H50 0.3708(27) 0.6515(9) 0.42027(32) 1.0 Uiso 0.210(4) 4 H H51 0.1434(25) 0.6715(16) 0.43644(26) 1.0 Uiso 0.210(4) 4 H H52 0.0454(13) 0.8290(21) 0.4208(4) 1.0 Uiso 0.210(4) 4 H H53 0.1727(15) 0.9643(14) 0.3895(4) 1.0 Uiso 0.210(4) 4 H H54 0.2556(14) 1.1792(15) 0.2123(9) 1.0 Uiso 0.210(4) 4 H H55 0.1469(9) 1.3003(10) 0.2680(14) 1.0 Uiso 0.210(4) 4 H H56 0.1738(9) 1.2973(7) 0.3658(14) 1.0 Uiso 0.210(4) 4 H H57 0.3074(13) 1.1751(11) 0.4071(8) 1.0 Uiso 0.210(4) 4 H H58 0.3514(16) 1.0733(16) 0.1674(7) 1.0 Uiso 0.210(4) 4 H H59 0.4518(33) 0.9380(25) 0.1189(4) 1.0 Uiso 0.210(4) 4 H H60 0.5960(18) 0.8318(15) 0.1678(8) 1.0 Uiso 0.210(4) 4 H H61 0.6095(11) 0.8425(9) 0.2654(8) 1.0 Uiso 0.210(4) 4 Cl Cl62 -0.0029(13) 1.4837(12) 0.28031(34) 1.0 Uiso 0.174(5) 4 O O63 -0.056(4) 1.520(4) 0.2292(9) 1.0 Uiso 0.174(5) 4 O O64 0.071(4) 1.3982(22) 0.2682(18) 1.0 Uiso 0.174(5) 4 O O65 0.0781(32) 1.5568(30) 0.3047(21) 1.0 Uiso 0.174(5) 4 O O66 -0.1037(33) 1.460(4) 0.3180(16) 1.0 Uiso 0.174(5) 4 Cl Cl67 0.4454(11) 0.4746(9) 0.50481(32) 1.0 Uiso 0.174(5) 4 O O68 0.490(5) 0.4901(34) 0.5627(8) 1.0 Uiso 0.174(5) 4 O O69 0.3435(32) 0.4026(28) 0.5047(20) 1.0 Uiso 0.174(5) 4 O O70 0.396(4) 0.5681(24) 0.4824(17) 1.0 Uiso 0.174(5) 4 O O71 0.5508(34) 0.4381(29) 0.4704(15) 1.0 Uiso 0.174(5) 4 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Ru 4.0 0.000 0.000 19.2674 0.80852 12.9182 8.43467 4.86337 24.7997 1.56756 94.2928 5.37874 International_Tables_Vol_C N 24.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 International_Tables_Vol_C C 120.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C H 96.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C Cl 8.0 0.000 0.000 11.4604 0.01040 7.19640 1.16620 6.25560 18.5194 1.64550 47.7784 -9.5574 International_Tables_Vol_C O 32.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N2 Ru1 N8 93.3(4) 1_555 . 1_555 N N2 Ru1 N14 96.85(23) 1_555 . 1_555 N N2 Ru1 N20 84.7(5) 1_555 . 1_555 N N2 Ru1 N26 168.6(5) 1_555 . 1_555 N N2 Ru1 N32 84.9(4) 1_555 . 1_555 N N8 Ru1 N14 84.2(6) 1_555 . 1_555 N N8 Ru1 N20 164.9(5) 1_555 . 1_555 N N8 Ru1 N26 85.89(23) 1_555 . 1_555 N N8 Ru1 N32 92.6(5) 1_555 . 1_555 N N14 Ru1 N20 81.1(5) 1_555 . 1_555 N N14 Ru1 N26 94.3(5) 1_555 . 1_555 N N14 Ru1 N32 176.5(5) 1_555 . 1_555 N N20 Ru1 N26 99.0(4) 1_555 . 1_555 N N20 Ru1 N32 102.12(22) 1_555 . 1_555 N N26 Ru1 N32 83.8(6) 1_555 . 1_555 N Ru1 N2 C3 109.2(6) 1_555 . 1_555 N Ru1 N2 C7 129.8(7) 1_555 . 1_555 N C3 N2 C7 120.98(34) 1_555 . 1_555 N N2 C3 C4 120.19(33) 1_555 . 1_555 N N2 C3 C21 118.7(5) 1_555 . 1_555 N C4 C3 C21 121.1(5) 1_555 . 1_555 N C3 C4 C5 118.95(23) 1_555 . 1_555 N C3 C4 H38 120.52(19) 1_555 . 1_555 N C5 C4 H38 120.53(19) 1_555 . 1_555 N C4 C5 C6 119.53(22) 1_555 . 1_555 N C4 C5 H39 120.22(19) 1_555 . 1_555 N C6 C5 H39 120.24(19) 1_555 . 1_555 N C5 C6 C7 119.80(22) 1_555 . 1_555 N C5 C6 H40 120.12(19) 1_555 . 1_555 N C7 C6 H40 120.07(19) 1_555 . 1_555 N N2 C7 C6 120.54(24) 1_555 . 1_555 N N2 C7 H41 119.73(19) 1_555 . 1_555 N C6 C7 H41 119.73(20) 1_555 . 1_555 N Ru1 N8 C9 109.7(7) 1_555 . 1_555 N Ru1 N8 C13 129.6(7) 1_555 . 1_555 N C9 N8 C13 120.68(34) 1_555 . 1_555 N N8 C9 C10 120.26(33) 1_555 . 1_555 N N8 C9 C15 118.3(5) 1_555 . 1_555 N C10 C9 C15 121.5(5) 1_555 . 1_555 N C9 C10 C11 119.02(23) 1_555 . 1_555 N C9 C10 H42 120.49(19) 1_555 . 1_555 N C11 C10 H42 120.49(19) 1_555 . 1_555 N C10 C11 C12 119.49(22) 1_555 . 1_555 N C10 C11 H43 120.25(19) 1_555 . 1_555 N C12 C11 H43 120.26(19) 1_555 . 1_555 N C11 C12 C13 119.74(22) 1_555 . 1_555 N C11 C12 H44 120.14(19) 1_555 . 1_555 N C13 C12 H44 120.12(19) 1_555 . 1_555 N N8 C13 C12 120.81(24) 1_555 . 1_555 N N8 C13 H45 119.59(19) 1_555 . 1_555 N C12 C13 H45 119.59(19) 1_555 . 1_555 N Ru1 N14 C15 109.6(6) 1_555 . 1_555 N Ru1 N14 C19 130.4(7) 1_555 . 1_555 N C15 N14 C19 119.93(35) 1_555 . 1_555 N C9 C15 N14 118.1(5) 1_555 . 1_555 N C9 C15 C16 121.4(5) 1_555 . 1_555 N N14 C15 C16 120.49(34) 1_555 . 1_555 N C15 C16 C17 119.17(23) 1_555 . 1_555 N C15 C16 H46 120.42(19) 1_555 . 1_555 N C17 C16 H46 120.42(19) 1_555 . 1_555 N C16 C17 C18 119.44(22) 1_555 . 1_555 N C16 C17 H47 120.29(19) 1_555 . 1_555 N C18 C17 H47 120.27(19) 1_555 . 1_555 N C17 C18 C19 119.78(22) 1_555 . 1_555 N C17 C18 H48 120.09(19) 1_555 . 1_555 N C19 C18 H48 120.12(19) 1_555 . 1_555 N N14 C19 C18 121.20(24) 1_555 . 1_555 N N14 C19 H49 119.40(19) 1_555 . 1_555 N C18 C19 H49 119.40(19) 1_555 . 1_555 N Ru1 N20 C21 109.2(6) 1_555 . 1_555 N Ru1 N20 C25 130.6(7) 1_555 . 1_555 N C21 N20 C25 120.21(34) 1_555 . 1_555 N C3 C21 N20 118.2(5) 1_555 . 1_555 N C3 C21 C22 121.2(5) 1_555 . 1_555 N N20 C21 C22 120.63(33) 1_555 . 1_555 N C21 C22 C23 119.00(23) 1_555 . 1_555 N C21 C22 H50 120.51(19) 1_555 . 1_555 N C23 C22 H50 120.50(19) 1_555 . 1_555 N C22 C23 C24 119.43(22) 1_555 . 1_555 N C22 C23 H51 120.28(19) 1_555 . 1_555 N C24 C23 H51 120.30(19) 1_555 . 1_555 N C23 C24 C25 119.91(22) 1_555 . 1_555 N C23 C24 H52 120.06(19) 1_555 . 1_555 N C25 C24 H52 120.03(19) 1_555 . 1_555 N N20 C25 C24 120.83(24) 1_555 . 1_555 N N20 C25 H53 119.58(19) 1_555 . 1_555 N C24 C25 H53 119.58(19) 1_555 . 1_555 N Ru1 N26 C27 110.0(6) 1_555 . 1_555 N Ru1 N26 C31 129.7(7) 1_555 . 1_555 N C27 N26 C31 120.27(35) 1_555 . 1_555 N N26 C27 C28 120.70(33) 1_555 . 1_555 N N26 C27 C33 118.1(5) 1_555 . 1_555 N C28 C27 C33 121.2(5) 1_555 . 1_555 N C27 C28 C29 118.95(23) 1_555 . 1_555 N C27 C28 H54 120.52(19) 1_555 . 1_555 N C29 C28 H54 120.53(19) 1_555 . 1_555 N C28 C29 C30 119.41(22) 1_555 . 1_555 N C28 C29 H55 120.29(19) 1_555 . 1_555 N C30 C29 H55 120.30(19) 1_555 . 1_555 N C29 C30 C31 119.87(22) 1_555 . 1_555 N C29 C30 H56 120.07(19) 1_555 . 1_555 N C31 C30 H56 120.06(19) 1_555 . 1_555 N N26 C31 C30 120.80(24) 1_555 . 1_555 N N26 C31 H57 119.59(19) 1_555 . 1_555 N C30 C31 H57 119.61(19) 1_555 . 1_555 N Ru1 N32 C33 110.2(6) 1_555 . 1_555 N Ru1 N32 C37 130.2(7) 1_555 . 1_555 N C33 N32 C37 119.62(35) 1_555 . 1_555 N C27 C33 N32 117.8(5) 1_555 . 1_555 N C27 C33 C34 121.1(5) 1_555 . 1_555 N N32 C33 C34 121.00(34) 1_555 . 1_555 N C33 C34 C35 119.35(25) 1_555 . 1_555 N C33 C34 H58 120.32(20) 1_555 . 1_555 N C35 C34 H58 120.33(20) 1_555 . 1_555 N C34 C35 C36 118.66(30) 1_555 . 1_555 N C34 C35 H59 119.98(22) 1_555 . 1_555 N C36 C35 H59 119.97(22) 1_555 . 1_555 N C35 C36 C37 120.23(24) 1_555 . 1_555 N C35 C36 H60 119.88(19) 1_555 . 1_555 N C37 C36 H60 119.89(19) 1_555 . 1_555 N N32 C37 C36 121.15(24) 1_555 . 1_555 N N32 C37 H61 119.42(19) 1_555 . 1_555 N C36 C37 H61 119.43(20) 1_555 . 1_555 N O63 Cl62 O64 107.9(6) 1_555 . 1_555 N O63 Cl62 O65 110.3(6) 1_555 . 1_555 N O63 Cl62 O66 110.3(6) 1_555 . 1_555 N O64 Cl62 O65 109.3(6) 1_555 . 1_555 N O64 Cl62 O66 110.2(6) 1_555 . 1_555 N O65 Cl62 O66 108.9(6) 1_555 . 1_555 N O68 Cl67 O69 109.0(6) 1_555 . 1_555 N O68 Cl67 O70 109.6(6) 1_555 . 1_555 N O68 Cl67 O71 110.5(6) 1_555 . 1_555 N O69 Cl67 O70 109.0(6) 1_555 . 1_555 N O69 Cl67 O71 108.7(6) 1_555 . 1_555 N O70 Cl67 O71 109.9(6) 1_555 . 1_555 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 N2 2.0637(22) . 1_555 N Ru1 N8 2.0654(22) . 1_555 N Ru1 N14 2.0676(22) . 1_555 N Ru1 N20 2.0666(22) . 1_555 N Ru1 N26 2.0659(22) . 1_555 N Ru1 N32 2.0676(22) . 1_555 N N2 Ru1 2.0637(22) . 1_555 N N2 C3 1.351(4) . 1_555 N N2 C7 1.338(4) . 1_555 N C3 N2 1.351(4) . 1_555 N C3 C4 1.381(4) . 1_555 N C3 C21 1.494(4) . 1_555 N C4 C3 1.381(4) . 1_555 N C4 C5 1.383(4) . 1_555 N C4 H38 0.9600(11) . 1_555 N C5 C4 1.383(4) . 1_555 N C5 C6 1.373(4) . 1_555 N C5 H39 0.9600(11) . 1_555 N C6 C5 1.373(4) . 1_555 N C6 C7 1.368(4) . 1_555 N C6 H40 0.9600(11) . 1_555 N C7 N2 1.338(4) . 1_555 N C7 C6 1.368(4) . 1_555 N C7 H41 0.9600(11) . 1_555 N N8 C9 1.350(4) . 1_555 N N8 C13 1.340(4) . 1_555 N C9 N8 1.350(4) . 1_555 N C9 C10 1.383(4) . 1_555 N C9 C15 1.495(4) . 1_555 N C10 C9 1.383(4) . 1_555 N C10 C11 1.385(4) . 1_555 N C10 H42 0.9600(11) . 1_555 N C11 C10 1.385(4) . 1_555 N C11 C12 1.370(4) . 1_555 N C11 H43 0.9600(11) . 1_555 N C12 C11 1.370(4) . 1_555 N C12 C13 1.369(4) . 1_555 N C12 H44 0.9600(11) . 1_555 N C13 N8 1.340(4) . 1_555 N C13 C12 1.369(4) . 1_555 N C13 H45 0.9600(11) . 1_555 N N14 C15 1.352(4) . 1_555 N N14 C19 1.346(4) . 1_555 N C15 C9 1.495(4) . 1_555 N C15 N14 1.352(4) . 1_555 N C15 C16 1.387(4) . 1_555 N C16 C15 1.387(4) . 1_555 N C16 C17 1.386(4) . 1_555 N C16 H46 0.9600(11) . 1_555 N C17 C16 1.386(4) . 1_555 N C17 C18 1.364(4) . 1_555 N C17 H47 0.9600(11) . 1_555 N C18 C17 1.364(4) . 1_555 N C18 C19 1.374(4) . 1_555 N C18 H48 0.9600(11) . 1_555 N C19 N14 1.346(4) . 1_555 N C19 C18 1.374(4) . 1_555 N C19 H49 0.9600(11) . 1_555 N N20 C21 1.355(4) . 1_555 N N20 C25 1.346(4) . 1_555 N C21 C3 1.494(4) . 1_555 N C21 N20 1.355(4) . 1_555 N C21 C22 1.389(4) . 1_555 N C22 C21 1.389(4) . 1_555 N C22 C23 1.385(4) . 1_555 N C22 H50 0.9600(11) . 1_555 N C23 C22 1.385(4) . 1_555 N C23 C24 1.374(4) . 1_555 N C23 H51 0.9600(11) . 1_555 N C24 C23 1.374(4) . 1_555 N C24 C25 1.376(4) . 1_555 N C24 H52 0.9600(11) . 1_555 N C25 N20 1.346(4) . 1_555 N C25 C24 1.376(4) . 1_555 N C25 H53 0.9601(11) . 1_555 N N26 C27 1.351(4) . 1_555 N N26 C31 1.340(4) . 1_555 N C27 N26 1.351(4) . 1_555 N C27 C28 1.382(4) . 1_555 N C27 C33 1.493(4) . 1_555 N C28 C27 1.382(4) . 1_555 N C28 C29 1.381(4) . 1_555 N C28 H54 0.9600(11) . 1_555 N C29 C28 1.381(4) . 1_555 N C29 C30 1.371(4) . 1_555 N C29 H55 0.9600(11) . 1_555 N C30 C29 1.371(4) . 1_555 N C30 C31 1.372(4) . 1_555 N C30 H56 0.9600(11) . 1_555 N C31 N26 1.340(4) . 1_555 N C31 C30 1.372(4) . 1_555 N C31 H57 0.9600(11) . 1_555 N N32 C33 1.350(4) . 1_555 N N32 C37 1.344(4) . 1_555 N N32 H61 1.999(4) . 1_555 N C33 C27 1.493(4) . 1_555 N C33 N32 1.350(4) . 1_555 N C33 C34 1.385(4) . 1_555 N C34 C33 1.385(4) . 1_555 N C34 C35 1.387(4) . 1_555 N C34 H58 0.9600(11) . 1_555 N C35 C34 1.387(4) . 1_555 N C35 C36 1.371(4) . 1_555 N C35 H59 0.9600(11) . 1_555 N C36 C35 1.371(4) . 1_555 N C36 C37 1.375(4) . 1_555 N C36 H60 0.9600(11) . 1_555 N C37 N32 1.344(4) . 1_555 N C37 C36 1.375(4) . 1_555 N C37 H61 0.9600(11) . 1_555 N Cl62 O63 1.411(10) . 1_555 N Cl62 O64 1.389(11) . 1_555 N Cl62 O65 1.396(11) . 1_555 N Cl62 O66 1.396(11) . 1_555 N O63 Cl62 1.411(10) . 1_555 N O64 H55 1.507(23) . 1_555 N O64 Cl62 1.389(11) . 1_555 N O65 Cl62 1.396(11) . 1_555 N O66 Cl62 1.396(11) . 1_555 N Cl67 O68 1.462(10) . 1_555 N Cl67 O69 1.406(11) . 1_555 N Cl67 O70 1.437(11) . 1_555 N Cl67 O71 1.431(11) . 1_555 N O68 Cl67 1.462(10) . 1_555 N O69 Cl67 1.406(11) . 1_555 N O70 Cl67 1.437(11) . 1_555 N O71 Cl67 1.431(11) . 1_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 18505.0 0.0000540 18967.69922 18967.80078 18864.0 0.0000530 18951.15430 18951.25391 18723.0 0.0000534 18934.60938 18934.70703 18865.0 0.0000530 18918.06445 18918.16211 18848.0 0.0000531 18901.52148 18901.61523 18916.0 0.0000529 18884.97656 18885.06836 18561.0 0.0000539 18868.43164 18868.52148 18764.0 0.0000533 18851.88477 18851.97461 18437.0 0.0000542 18835.34180 18835.42773 19005.0 0.0000526 18818.79688 18818.88281 18741.0 0.0000534 18802.25195 18802.33594 18703.0 0.0000535 18785.70703 18785.78906 18710.0 0.0000534 18769.16211 18769.24219 18627.0 0.0000537 18752.61719 18752.69531 18737.0 0.0000534 18736.07227 18736.14844 18822.0 0.0000531 18719.52930 18719.60156 18919.0 0.0000529 18702.98438 18703.05664 18556.0 0.0000539 18686.43945 18686.50977 18740.0 0.0000534 18669.89453 18669.96289 18611.0 0.0000537 18653.34961 18653.41602 18887.0 0.0000529 18636.80469 18636.86914 18607.0 0.0000537 18620.25977 18620.32422 18488.0 0.0000541 18603.71680 18603.77734 18832.0 0.0000531 18587.17188 18587.23047 18663.0 0.0000536 18570.62695 18570.68359 18363.0 0.0000545 18554.08203 18554.13672 18645.0 0.0000536 18537.53711 18537.58984 18613.0 0.0000537 18520.99219 18521.04492 18456.0 0.0000542 18504.44727 18504.49805 18900.0 0.0000529 18487.90234 18487.95117 18782.0 0.0000532 18471.35742 18471.40430 18483.0 0.0000541 18454.81250 18454.85742 18752.0 0.0000533 18438.26758 18438.31055 18596.0 0.0000538 18421.72461 18421.76563 18402.0 0.0000543 18405.17969 18405.21875 18586.0 0.0000538 18388.63477 18388.67188 18556.0 0.0000539 18372.08984 18372.12500 18657.0 0.0000536 18355.54492 18355.57813 18622.0 0.0000537 18339.00000 18339.03125 18305.0 0.0000546 18322.45508 18322.48633 18489.0 0.0000541 18305.91211 18305.93945 18198.0 0.0000550 18289.36719 18289.39258 18544.0 0.0000539 18272.82227 18272.84570 18450.0 0.0000542 18256.27734 18256.29883 18329.0 0.0000546 18239.73242 18239.75195 18385.0 0.0000544 18223.18750 18223.20703 18382.0 0.0000544 18206.64258 18206.66016 17940.0 0.0000557 18190.09766 18190.11328 18321.0 0.0000546 18173.55273 18173.56641 18154.0 0.0000551 18157.00977 18157.01953 18027.0 0.0000555 18140.46484 18140.47461 18216.0 0.0000549 18123.91992 18123.92773 18163.0 0.0000551 18107.37500 18107.38086 17973.0 0.0000556 18090.83008 18090.83398 18065.0 0.0000554 18074.28516 18074.28711 18031.0 0.0000555 18057.74023 18057.74023 18094.0 0.0000553 18041.19531 18041.19336 18036.0 0.0000554 18024.65039 18024.64844 17991.0 0.0000556 18008.10742 18008.10156 18122.0 0.0000552 17991.56250 17991.55469 17948.0 0.0000557 17975.01758 17975.00781 17904.0 0.0000559 17958.47266 17958.46094 17758.0 0.0000563 17941.92773 17941.91406 17901.0 0.0000559 17925.38281 17925.36914 17850.0 0.0000560 17908.83789 17908.82227 17829.0 0.0000561 17892.29297 17892.27539 17856.0 0.0000560 17875.74805 17875.72852 17947.0 0.0000557 17859.20508 17859.18359 17614.0 0.0000568 17842.66016 17842.63672 17784.0 0.0000562 17826.11523 17826.08984 17685.0 0.0000565 17809.57031 17809.54297 17628.0 0.0000567 17793.02539 17792.99609 17562.0 0.0000569 17776.48047 17776.44922 17671.0 0.0000566 17759.93555 17759.90234 17830.0 0.0000561 17743.39063 17743.35547 17607.0 0.0000568 17726.84570 17726.81055 17598.0 0.0000568 17710.30273 17710.26367 17390.0 0.0000575 17693.75781 17693.71680 17616.0 0.0000568 17677.21289 17677.16992 17594.0 0.0000568 17660.66797 17660.62305 17527.0 0.0000571 17644.12305 17644.07617 17696.0 0.0000565 17627.57813 17627.53125 17701.0 0.0000565 17611.03320 17610.98438 17337.0 0.0000577 17594.48828 17594.43750 17571.0 0.0000569 17577.94336 17577.89063 17482.0 0.0000572 17561.40039 17561.34570 17452.0 0.0000573 17544.85547 17544.79883 17555.0 0.0000570 17528.31055 17528.25195 17394.0 0.0000575 17511.76563 17511.70508 17329.0 0.0000577 17495.22070 17495.15820 17421.0 0.0000574 17478.67578 17478.61133 17208.0 0.0000581 17462.13086 17462.06641 17326.0 0.0000577 17445.58594 17445.51953 17273.0 0.0000579 17429.04297 17428.97266 17297.0 0.0000578 17412.49805 17412.42578 17537.0 0.0000570 17395.95313 17395.87891 17595.0 0.0000568 17379.40820 17379.33203 17411.0 0.0000574 17362.86328 17362.78516 17318.0 0.0000577 17346.31836 17346.24023 17238.0 0.0000580 17329.77344 17329.69336 17503.0 0.0000571 17313.22852 17365.91797 17522.0 0.0000571 17296.68359 17352.27344 17258.0 0.0000579 17280.13867 17338.88086 17367.0 0.0000576 17263.59570 17325.77539 17312.0 0.0000578 17247.05078 17312.99219 17231.0 0.0000580 17230.50586 17300.57422 17188.0 0.0000582 17213.96094 17288.57617 17359.0 0.0000576 17197.41602 17277.05664 17481.0 0.0000572 17180.87109 17266.09375 17246.0 0.0000580 17164.32617 17255.77734 17255.0 0.0000580 17165.64258 17264.07813 17497.0 0.0000572 17174.10352 17280.42383 17398.0 0.0000575 17182.56250 17297.84570 17590.0 0.0000569 17191.02344 17316.57617 17522.0 0.0000571 17199.48438 17336.92383 17486.0 0.0000572 17207.94531 17359.32813 17586.0 0.0000569 17216.40430 17384.48633 17962.0 0.0000557 17224.86523 17413.64063 17575.0 0.0000569 17233.32617 17449.05469 17920.0 0.0000558 17241.78711 17494.52344 17835.0 0.0000561 17250.24609 17555.41602 17802.0 0.0000562 17258.70703 17637.82227 18023.0 0.0000555 17267.16797 17745.58203 18061.0 0.0000554 17275.62695 17879.90625 18264.0 0.0000548 17284.08789 18031.22266 18016.0 0.0000555 17292.54883 18218.91406 18181.0 0.0000550 17301.00977 18431.36133 18222.0 0.0000549 17309.46875 18645.79297 18600.0 0.0000538 17317.92969 18897.81250 18722.0 0.0000534 17326.39063 19189.21484 19099.0 0.0000524 17334.84961 19478.87891 19402.0 0.0000515 17343.31055 19820.07813 19527.0 0.0000512 17351.77148 20220.39844 19854.0 0.0000504 17360.23242 20634.15234 20434.0 0.0000489 17368.69141 21139.77930 20880.0 0.0000479 17377.15234 21726.16406 21510.0 0.0000465 17385.61328 22391.88281 22442.0 0.0000446 17394.07422 23228.68945 23087.0 0.0000433 17402.53320 24228.67383 24849.0 0.0000402 17410.99414 25491.04102 26301.0 0.0000380 17419.45508 27007.48828 28054.0 0.0000356 17427.91406 28662.87891 29787.0 0.00003357 17436.37500 30054.72852 30818.0 0.00003245 17444.83594 30458.66016 30360.0 0.00003294 17453.29688 29142.84375 28310.0 0.0000353 17461.75586 26434.03711 25736.0 0.0000389 17470.21680 23646.36328 22955.0 0.0000436 17478.67773 21574.30078 20956.0 0.0000477 17487.13672 20297.69727 20130.0 0.0000497 17495.59766 19614.07422 19332.0 0.0000517 17504.05859 19294.55859 19511.0 0.0000513 17512.51758 19187.43750 19799.0 0.0000505 17520.97852 19225.84375 20055.0 0.0000499 17529.43945 19380.64063 20401.0 0.0000490 17537.90039 19578.98438 20286.0 0.0000493 17546.35938 19642.14648 19912.0 0.0000502 17554.82031 19368.70117 19402.0 0.0000515 17563.28125 18835.31055 18485.0 0.0000541 17571.74219 18354.24219 18035.0 0.0000554 17580.20117 18065.24023 18277.0 0.0000547 17588.66211 17930.24414 17880.0 0.0000559 17597.12305 17871.07227 18067.0 0.0000553 17605.58203 17840.36719 17963.0 0.0000557 17614.04297 17820.68945 17902.0 0.0000559 17622.50391 17806.83984 17631.0 0.0000567 17630.96484 17796.93359 17799.0 0.0000562 17639.42383 17789.95898 17701.0 0.0000565 17647.88477 17785.25586 17919.0 0.0000558 17656.34570 17782.35156 17621.0 0.0000568 17664.80469 17780.90234 17903.0 0.0000559 17673.26563 17780.65039 17646.0 0.0000567 17681.72656 17781.39844 17803.0 0.0000562 17690.18750 17782.98828 17721.0 0.0000564 17698.64648 17785.29297 17721.0 0.0000564 17707.10742 17788.21680 17353.0 0.0000576 17715.56836 17791.67188 17758.0 0.0000563 17724.02930 17795.58789 17599.0 0.0000568 17732.48828 17799.91211 17634.0 0.0000567 17740.94922 17804.59375 17706.0 0.0000565 17749.41016 17809.59180 17575.0 0.0000569 17757.87109 17814.86914 17630.0 0.0000567 17766.33008 17820.39844 17388.0 0.0000575 17774.79102 17826.15234 17620.0 0.0000568 17783.25195 17832.10742 17482.0 0.0000572 17791.71094 17838.24414 17586.0 0.0000569 17800.17188 17800.07227 17657.0 0.0000566 17808.63281 17808.53320 17705.0 0.0000565 17817.09375 17816.99414 17735.0 0.0000564 17825.55273 17825.45313 17741.0 0.0000564 17834.01367 17833.91406 17639.0 0.0000567 17842.47461 17842.37500 17503.0 0.0000571 17850.93359 17850.83398 17753.0 0.0000563 17859.39453 17859.29492 17601.0 0.0000568 17867.85547 17867.75586 17737.0 0.0000564 17876.31445 17876.21484 17690.0 0.0000565 17884.77539 17884.67578 17508.0 0.0000571 17893.23633 17893.13672 17797.0 0.0000562 17901.69727 17901.59766 17587.0 0.0000569 17910.15625 17910.05664 17589.0 0.0000569 17918.61719 17918.51758 17744.0 0.0000564 17927.07813 17926.97852 17526.0 0.0000571 17935.53906 17935.43945 17666.0 0.0000566 17943.99805 17943.89844 17722.0 0.0000564 17952.45898 17952.35938 17733.0 0.0000564 17960.91992 17960.82031 17724.0 0.0000564 17969.37891 17969.27930 18064.0 0.0000554 17977.83984 17977.74023 17791.0 0.0000562 17986.30078 17986.20117 17836.0 0.0000561 17994.76172 17994.66211 17958.0 0.0000557 18003.22070 18003.12109 17962.0 0.0000557 18011.68164 18011.58203 17897.0 0.0000559 18020.14258 18020.04297 17926.0 0.0000558 18028.60156 18028.50195 17747.0 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3263.08862 3377.75000 3447.0 0.0002901 3262.80273 3376.78564 3470.0 0.0002882 3262.51685 3375.76636 3436.0 0.0002910 3262.23071 3374.75195 3382.0 0.0002957 3261.94482 3373.70947 3388.0 0.0002952 3261.65894 3372.64819 3434.0 0.0002912 3261.37305 3371.59082 3373.0 0.0002965 3261.08716 3370.54565 3418.0 0.0002926 3260.80103 3369.53076 3451.0 0.0002898 3260.51514 3368.55127 3427.0 0.0002918 3260.22900 3367.62158 3339.0 0.0002995 3259.94336 3366.72607 3346.0 0.0002989 3259.65723 3365.87476 3399.0 0.0002942 3259.37134 3365.05151 3398.0 0.0002943 3259.08545 3364.25952 3456.0 0.0002894 3258.79956 3363.49390 3425.0 0.0002920 3258.51343 3362.74219 3392.0 0.0002948 3258.22754 3362.01465 3394.0 0.0002946 3257.94165 3361.27197 3337.0 0.0002997 3257.65576 3360.52832 3407.0 0.0002935 3257.36963 3359.74438 3328.0 0.0003005 3257.08374 3358.98901 3316.0 0.0003016 3256.79785 3358.21338 3302.0 0.0003028 3256.51172 3357.41431 3492.0 0.0002864 3256.22583 3356.46411 3302.0 0.0003028 3255.93994 3355.62939 3275.0 0.0003053 3255.65405 3354.78760 3388.0 0.0002952 3255.36792 3353.90991 3412.0 0.0002931 3255.08203 3353.04004 3312.0 0.0003019 3254.79614 3352.10986 3372.0 0.0002966 3254.51025 3351.29761 3421.0 0.0002923 3254.22412 3350.30200 3434.0 0.0002912 3253.93823 3349.26050 3408.0 0.0002934 3253.65234 3348.17798 3422.0 0.0002922 3253.36646 3347.04492 3364.0 0.0002973 3253.08032 3345.85449 3455.0 0.0002894 3252.79468 3344.64673 3320.0 0.0003012 3252.50854 3343.33203 3409.0 0.0002933 3252.22290 3341.97485 3311.0 0.0003020 3251.93677 3340.57300 3354.0 0.0002982 3251.65088 3339.12085 3396.0 0.0002945 3251.36475 3337.63379 3308.0 0.0003023 3251.07886 3336.12354 3366.0 0.0002971 3250.79297 3334.62329 3329.0 0.0003004 3250.50684 3333.09766 3293.0 0.0003037 3250.22095 3331.58008 3318.0 0.0003014 3249.93506 3330.02295 3247.0 0.0003080 3249.64917 3328.56665 3332.0 0.0003001 3249.36304 3327.24585 3305.0 0.0003026 3249.07715 3325.89404 3273.0 0.0003055 3248.79126 3324.54785 3332.0 0.0003001 3248.50537 3323.32227 3294.0 0.0003036 3248.21924 3322.19751 3253.0 0.0003074 3247.93335 3321.12427 3326.0 0.0003007 3247.64746 3320.18579 3280.0 0.0003049 3247.36157 3319.27393 3326.0 0.0003007 3247.07544 3318.44995 3261.0 0.0003067 3246.78955 3317.70044 3257.0 0.0003070 3246.50366 3317.06860 3265.0 0.0003063 3246.21753 3316.47949 3186.0 0.0003139 3245.93188 3315.95898 3213.0 0.0003112 3245.64600 3315.50610 3299.0 0.0003031 3245.35986 3315.14258 3318.0 0.0003014 3245.07397 3314.82275 3296.0 0.0003034 3244.78809 3314.31445 3346.0 0.0002989 3244.50220 3314.06738 3254.0 0.0003073 3244.21606 3313.85522 3353.0 0.0002982 3243.93018 3313.67090 3289.0 0.0003040 3243.64429 3313.55176 3261.0 0.0003067 3243.01245 3313.06348 3156.0 0.0003169 3241.51489 3311.75269 3340.0 0.0002994 3240.01709 3310.41309 3266.0 0.0003062 3238.52026 3309.07495 3347.0 0.0002988 3237.02319 3307.74780 3374.0 0.0002964 3235.52563 3306.39380 3374.0 0.0002964 3234.02783 3305.02856 3249.0 0.0003078 3232.53076 3303.65063 3295.0 0.0003035 3231.03394 3302.27466 3336.0 0.0002998 3229.53540 3300.85449 3300.0 0.0003030 3228.03857 3299.41333 3409.0 0.0002933 3226.54150 3297.96484 3302.0 0.0003028 3225.04370 3296.48926 3317.0 0.0003015 3223.54614 3294.99487 3336.0 0.0002998 3222.04907 3293.49048 3247.0 0.0003080 3220.55200 3291.97559 3302.0 0.0003028 3219.05518 3290.44824 3282.0 0.0003047 3217.55664 3288.91431 3335.0 0.0002999 3216.05981 3287.37891 3320.0 0.0003012 3214.56274 3285.93530 3283.0 0.0003046 3213.06494 3284.40308 3209.0 0.0003116 3211.56738 3282.73413 3198.0 0.0003127 3210.07031 3281.21899 3319.0 0.0003013 3208.57275 3279.70947 3262.0 0.0003066 3207.07642 3278.23047 3237.0 0.0003089 3205.57788 3276.76904 3324.0 0.0003008 3204.08105 3275.31104 3320.0 0.0003012 3202.58325 3273.87549 3119.0 0.0003206 3201.08643 3272.46582 3222.0 0.0003104 3199.58862 3271.08130 3250.0 0.0003077 3198.09155 3269.72559 3156.0 0.0003169 3196.59399 3268.39966 3353.0 0.0002982 3195.09766 3267.13086 3273.0 0.0003055 3193.59937 3265.85815 3218.0 0.0003108 3192.10229 3264.62549 3226.0 0.0003100 3190.60449 3263.40698 3240.0 0.0003086 3189.10693 3262.20776 3165.0 0.0003160 3187.60986 3261.02368 3215.0 0.0003110 3186.11279 3259.84790 3251.0 0.0003076 3184.61597 3258.66846 3224.0 0.0003102 3183.11743 3257.48267 3301.0 0.0003029 3181.62061 3256.27881 3193.0 0.0003132 3180.12280 3255.05444 3307.0 0.0003024 3178.62573 3253.78345 3176.0 0.0003149 3177.12817 3252.46191 3227.0 0.0003099 3175.63110 3251.08228 3327.0 0.0003006 3174.13354 3249.63623 3200.0 0.0003125 3172.63721 3248.13647 3354.0 0.0002982 3171.13867 3246.53711 3235.0 0.0003091 3169.64185 3244.85645 3303.0 0.0003028 3168.14404 3243.09180 3245.0 0.0003082 3166.64697 3241.23926 3249.0 0.0003078 3165.14941 3239.30420 3226.0 0.0003100 3163.65234 3237.28589 3350.0 0.0002985 3162.15479 3235.19238 3287.0 0.0003042 3160.65771 3233.02905 3319.0 0.0003013 3159.16016 3230.80054 3316.0 0.0003016 3157.66235 3228.55029 3144.0 0.0003181 3156.16528 3225.95532 3174.0 0.0003151 3154.66846 3223.59424 3188.0 0.0003137 3153.17065 3221.20825 3242.0 0.0003085 3151.67310 3218.81079 3299.0 0.0003031 3150.17603 3216.40967 3256.0 0.0003071 3148.67896 3214.02637 3196.0 0.0003129 3147.18140 3211.65820 3204.0 0.0003121 3145.68359 3209.35034 3254.0 0.0003073 3144.18652 3207.06348 3235.0 0.0003091 3142.68970 3204.83350 3200.0 0.0003125 3141.19189 3202.67090 3297.0 0.0003033 3139.69434 3200.57642 3294.0 0.0003036 3138.19727 3198.56860 3241.0 0.0003085 3136.70020 3196.64844 3156.0 0.0003169 3135.20264 3194.82031 3123.0 0.0003202 3133.70483 3193.08618 3215.0 0.0003110 3132.20776 3191.45508 3227.0 0.0003099 3130.71021 3189.91504 3131.0 0.0003194 3129.21240 3188.47876 3109.0 0.0003216 3127.71558 3187.14526 3082.0 0.0003245 3126.21851 3185.89819 3032.0 0.0003298 3124.72095 3184.73828 3225.0 0.0003101 3123.22314 3183.69263 3112.0 0.0003213 3121.72607 3182.69653 3178.0 0.0003147 3120.22925 3181.77441 3100.0 0.0003226 3118.73145 3180.93018 3183.0 0.0003142 3117.23389 3180.12891 3166.0 0.0003159 3115.73682 3179.37451 3110.0 0.0003215 3114.23975 3178.65771 3278.0 0.0003051 3112.74219 3177.97168 3164.0 0.0003161 3111.24438 3177.30591 3094.0 0.0003232 3109.74731 3176.64844 3093.0 0.0003233 3108.24976 3176.07007 3174.0 0.0003151 3106.75195 3175.40234 3106.0 0.0003220 3105.25513 3174.71753 3210.0 0.0003115 3103.75806 3173.99902 3158.0 0.0003167 3102.26099 3173.24512 3280.0 0.0003049 3100.76270 3172.43799 3170.0 0.0003155 3099.26563 3171.58057 3217.0 0.0003108 3097.76855 3170.65625 3279.0 0.0003050 3096.27100 3169.66650 3184.0 0.0003141 3094.77319 3168.61963 3143.0 0.0003182 3093.27637 3167.51221 3239.0 0.0003087 3091.77930 3166.34644 3172.0 0.0003153 3090.28223 3165.12305 3212.0 0.0003113 3088.78394 3163.85254 3241.0 0.0003085 3087.28687 3162.54370 3130.0 0.0003195 3085.79004 3161.20605 3132.0 0.0003193 3084.29224 3159.84521 3107.0 0.0003219 3082.79468 3158.47583 3192.0 0.0003133 3081.29761 3157.10962 3171.0 0.0003154 3079.80005 3155.74438 3193.0 . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 0 2 o 5397.520 5392.087 180.00 11.86602 8.16 0 1 1 o 338.374 269.293 -90.00 11.55786 1.00 1 0 1 o 26362.746 26095.752 -90.00 9.33500 48.47 0 1 2 o 52313.09 51472.79 -90.00 8.83451 87.47 1 1 0 o 258.313 265.754 90.00 8.05552 0.34 1 0 2 o 759.123 783.759 180.00 7.71468 0.97 1 1 1 o 11923.615 12394.889 -24.84 7.62806 29.23 0 1 3 o -2.491 30.643 -90.00 6.78997 0.00 1 1 2 o 5000.279 4554.988 -51.63 6.66482 9.61 0 2 0 o 111303.15 106194.76 0.00 6.61664 53.00 1 0 3 o 26180.652 27160.715 -90.00 6.24028 22.09 0 2 1 o 336.155 351.610 0.00 6.37355 0.30 0 0 4 o 7612.450 7853.750 180.00 5.93301 2.71 1 1 3 o 72631.68 71967.63 155.82 5.64421 100.00 0 2 2 o 868.178 661.053 180.00 5.77893 0.62 0 1 4 o 1357.834 1415.580 -90.00 5.41380 0.91 1 2 0 o 1230.607 1139.352 -90.00 5.54346 0.80 1 2 1 o 8248.214 9345.325 -132.25 5.39815 10.03 1 0 4 o 1043.303 858.432 0.00 5.12258 0.58 2 0 0 o 69645.05 69193.44 0.00 5.07674 19.41 0 2 3 o 199.717 200.203 0.00 5.07533 0.11 2 0 1 o 4178.458 4387.731 90.00 4.96442 2.24 1 2 2 o 613.954 932.099 -57.24 5.02242 0.63 1 1 4 o 2717.917 2378.247 -74.62 4.77715 2.66 2 1 0 o 2103.007 970.306 0.00 4.73991 1.00 2 0 2 o 21.621 15.017 180.00 4.66750 0.01 2 1 1 o 2283.568 2167.308 -21.67 4.64811 2.09 1 2 3 o 6598.456 6783.267 -102.47 4.53977 5.90 0 1 5 o 41438.66 42533.71 -90.00 4.46772 17.53 0 2 4 o 26504.779 28732.914 0.00 4.41726 11.25 2 1 2 o 2966.454 2979.126 -124.46 4.40173 2.45 1 0 5 o 41374.32 40210.63 90.00 4.29980 16.26 2 0 3 o 2985.022 2562.026 90.00 4.27258 1.18 0 3 1 o 13591.869 12967.192 -90.00 4.33681 5.45 1 1 5 o 3361.827 3861.887 125.56 4.08935 2.37 2 1 3 o 3384.558 3467.956 -110.05 4.06591 2.36 0 3 2 o -11.237 9.380 -90.00 4.13465 0.03 1 2 4 o 392.750 401.773 -124.87 4.05054 0.27 0 0 6 o 5570.866 5269.103 0.00 3.95534 0.94 2 2 0 o 207888.58 206542.48 0.00 4.02776 71.46 1 3 0 o 6061.393 6224.514 90.00 4.04578 2.07 2 2 1 o 20068.555 18907.482 36.46 3.97098 13.38 1 3 1 o 708.344 606.362 41.72 3.98824 0.47 2 0 4 o 10197.284 10406.403 0.00 3.85734 3.31 0 2 5 o 278.176 277.662 180.00 3.85672 0.09 0 1 6 o 45833.27 43821.05 90.00 3.78968 13.89 2 2 2 o 4148.558 3762.106 163.09 3.81403 2.54 1 3 2 o 967.971 832.674 -156.05 3.82932 0.60 0 3 3 o 4669.634 4491.697 -90.00 3.85262 1.47 1 0 6 o 849.393 1128.940 0.00 3.68557 0.24 2 1 4 o 1814.659 2528.176 -112.73 3.70323 1.10 1 2 5 o 19674.080 20509.945 82.11 3.60539 10.80 2 2 3 o 5363.777 5805.797 110.10 3.58930 2.94 1 1 6 o 3133.840 2865.020 -118.81 3.55044 1.66 1 3 3 o 21109.113 21933.162 171.68 3.60204 11.68 2 0 5 o 4254.761 2695.067 90.00 3.46712 1.08 0 3 4 o 3653.732 2976.326 -90.00 3.53992 0.98 0 2 6 o 21123.846 20519.486 0.00 3.39499 5.09 2 1 5 o 335.659 345.396 130.25 3.35392 0.15 3 0 1 o 1642.584 1682.505 -90.00 3.35059 0.37 2 2 4 o 614.646 590.987 -135.42 3.33241 0.27 0 1 7 o 102.518 100.382 90.00 3.28422 0.02 1 3 4 o 46.740 45.771 35.08 3.34259 0.02 2 3 0 o 169.684 164.371 0.00 3.32976 0.04 3 1 0 o 660.277 633.267 90.00 3.27895 0.14 1 0 7 o 996.709 998.658 90.00 3.21576 0.21 2 3 1 o 5699.665 6038.239 -77.19 3.29746 2.60 3 0 2 o 694.873 576.477 0.00 3.25469 0.15 1 2 6 o 3516.574 3505.400 139.03 3.21977 1.52 3 1 1 o 1547.148 1238.323 5.34 3.24810 0.67 0 4 0 o 25710.686 27889.453 0.00 3.30832 2.99 0 3 5 o 2193.601 1967.534 -90.00 3.23116 0.49 0 4 1 o 4963.815 4652.897 0.00 3.27663 1.11 1 1 7 o 595.411 573.879 41.29 3.12482 0.23 2 3 2 o 20012.557 20233.709 -108.60 3.20593 8.48 2 0 6 o 3006.677 2865.455 0.00 3.12014 0.61 3 1 2 o 1812.595 2576.620 -77.43 3.16051 0.79 3 0 3 o 3442.580 3317.109 -90.00 3.11167 0.71 0 4 2 o 321.457 379.732 180.00 3.18678 0.07 2 2 5 o 1076.243 1225.465 55.68 3.07104 0.43 2 1 6 o 11898.749 11002.384 86.46 3.03687 4.58 1 3 5 o 545.516 685.927 -123.69 3.07901 0.22 1 4 0 o 1047.236 1229.122 90.00 3.14555 0.22 1 4 1 o 242.759 207.378 42.87 3.11828 0.12 2 3 3 o 408.035 455.589 -9.42 3.06897 0.16 3 1 3 o 5021.666 4500.191 165.81 3.02905 1.96 0 2 7 o 1822.346 1572.878 180.00 3.01727 0.34 0 0 8 o 26788.938 26775.578 0.00 2.96651 2.45 3 2 0 o 7566.752 6420.778 90.00 3.01318 1.41 1 4 2 o 607.772 558.699 75.76 3.04053 0.25 0 4 3 o 180.186 174.074 0.00 3.05216 0.03 3 2 1 o 258.310 219.086 -136.28 2.98918 0.10 3 0 4 o 1572.490 1591.527 -180.00 2.93980 0.28 0 3 6 o 3428.877 3376.153 90.00 2.94484 0.63 0 1 8 o 5841.910 4970.527 -90.00 2.89467 1.03 1 2 7 o 926.142 778.497 -58.26 2.89227 0.32 1 0 8 o 2191.551 2793.938 180.00 2.84746 0.37 3 2 2 o 1821.287 1926.909 -79.72 2.92049 0.63 2 3 4 o 539.519 479.761 31.95 2.90372 0.18 1 4 3 o 3637.108 3976.075 -102.30 2.92295 1.30 2 0 7 o 7699.879 8346.813 90.00 2.81941 1.27 3 1 4 o 2525.796 3108.605 -78.09 2.86984 0.88 2 2 6 o 1396.585 1540.657 -15.90 2.82210 0.47 1 1 8 o 545.680 527.198 -172.73 2.78375 0.17 1 3 6 o 966.369 1100.794 62.97 2.82828 0.32 0 4 4 o 1454.628 1162.995 180.00 2.88946 0.24 3 2 3 o 3848.266 4096.071 -103.19 2.81583 1.28 2 1 7 o 40.351 43.402 64.11 2.75752 0.01 3 0 5 o 10917.737 11880.343 90.00 2.75567 1.71 1 4 4 o 47.367 44.292 -121.26 2.77912 0.01 2 4 0 o 28034.023 26172.709 0.00 2.77173 4.47 0 2 8 o 2524.874 2166.205 0.00 2.70690 0.39 2 3 5 o 384.278 343.482 -127.07 2.72588 0.12 3 1 5 o 382.678 344.201 -127.18 2.69780 0.11 2 4 1 o 3574.910 4210.536 94.28 2.75302 1.12 0 3 7 o 1126.848 993.307 90.00 2.68807 0.16 3 2 4 o 1986.213 1641.862 -137.48 2.68656 0.58 0 4 5 o 44.320 37.129 180.00 2.71408 0.01 3 3 0 o 8657.631 7211.272 90.00 2.68517 1.25 2 4 2 o 1295.754 1217.608 133.57 2.69908 0.39 3 3 1 o 4038.201 1619.460 -26.38 2.66815 1.16 1 2 8 o 1126.785 1160.976 90.97 2.61555 0.32 0 1 9 o 1018.387 1195.515 90.00 2.58605 0.14 3 3 2 o 3629.135 3811.012 -54.57 2.61896 1.03 2 2 7 o 1305.628 1530.053 97.49 2.59375 0.37 3 0 6 o 5.382 6.463 0.00 2.57156 0.00 2 0 8 o 1712.135 1827.295 0.00 2.56129 0.24 1 4 5 o 5752.451 6164.589 79.37 2.62202 1.63 1 3 7 o 691.951 782.049 41.58 2.59854 0.18 2 4 3 o 1199.987 1255.783 163.02 2.61581 0.34 1 0 9 o 16665.340 17364.686 -90.00 2.55223 2.20 2 3 6 o 4357.426 4502.332 66.67 2.54730 1.17 3 1 6 o 32.467 32.509 175.48 2.52434 0.01 3 2 5 o 7083.458 7297.289 86.92 2.54387 1.88 0 5 1 o 595.188 700.588 -90.00 2.63035 0.09 2 1 8 o 4171.173 4110.639 -96.39 2.51462 1.10 1 1 9 o 5338.114 5333.629 -96.03 2.50605 1.35 3 3 3 o 16221.888 16782.924 155.28 2.54269 4.29 4 0 0 o 5459.354 5652.156 0.00 2.53837 0.37 4 0 1 o 371.479 373.610 90.00 2.52397 0.05 0 5 2 o 2755.194 3482.510 -90.00 2.58318 0.37 0 4 6 o 848.329 877.285 0.00 2.53767 0.11 1 5 0 o 1870.431 2026.462 90.00 2.56108 0.25 1 5 1 o 905.344 934.366 38.09 2.54629 0.24 2 4 4 o 2742.106 2674.255 -134.79 2.51121 0.69 4 1 0 o 15.348 15.791 -180.00 2.49292 0.00 4 0 2 o 2444.616 2421.061 180.00 2.48221 0.31 0 3 8 o 4525.657 3632.712 -90.00 2.46162 0.56 4 1 1 o 1227.672 1186.156 -30.54 2.47928 0.30 0 2 9 o 1955.061 1732.181 0.00 2.44954 0.23 1 4 6 o 811.699 636.613 89.91 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11 o 106.929 99.412 90.00 1.67225 0.01 0 7 6 o 511.957 481.444 90.00 1.70566 0.03 2 7 4 o 19.314 18.684 57.02 1.69756 0.00 6 1 0 o 0.009 0.009 -180.00 1.67858 0.00 2 5 10 o 838.421 751.856 -49.12 1.66872 0.09 3 6 6 o 305.710 291.267 138.64 1.67414 0.03 4 0 11 o 122.002 147.172 90.00 1.64390 0.01 0 2 14 o 1544.061 1893.307 0.00 1.64211 0.08 6 1 2 o 1929.817 1701.336 -83.01 1.66203 0.20 4 5 6 o 927.691 802.919 72.48 1.66234 0.10 2 6 8 o 670.440 611.501 -3.56 1.67130 0.07 5 4 4 o 313.938 274.242 -157.45 1.66143 0.03 1 6 9 o 892.565 794.068 -91.75 1.66877 0.09 1 7 6 o 39.166 44.823 -5.70 1.68209 0.00 6 0 3 o 224.062 216.708 -90.00 1.65481 0.01 4 1 11 o 44.973 48.468 -86.87 1.63136 0.00 1 5 11 o 950.847 1040.629 174.09 1.65002 0.10 4 6 0 o 2900.191 2495.181 0.00 1.66488 0.16 5 2 8 o 80.940 77.261 155.73 1.62441 0.01 4 6 1 o 804.836 691.516 73.35 1.66080 0.09 6 1 3 o 484.259 602.457 20.58 1.64202 0.05 1 2 14 o 90.751 83.119 167.75 1.62105 0.01 6 2 0 o 486.309 609.093 0.00 1.63948 0.03 2 0 14 o 1416.654 1312.341 0.00 1.60788 0.07 6 0 4 o 1383.695 1395.670 180.00 1.62735 0.07 3 0 13 o 471.874 440.694 90.00 1.60672 0.02 6 2 1 o 191.336 227.533 93.89 1.63558 0.02 3 5 9 o 50.091 59.583 55.68 1.63544 0.01 2 7 5 o 536.107 459.871 -94.17 1.65977 0.06 4 3 10 o 143.507 128.919 -23.53 1.61344 0.01 4 6 2 o 313.499 360.938 144.76 1.64873 0.03 5 3 7 o 717.314 646.381 27.47 1.62031 0.07 2 4 12 o 234.250 214.015 -163.45 1.60988 0.02 5 0 9 o 439.319 404.707 -90.00 1.60890 0.02 0 7 7 o 12.996 13.879 90.00 1.65112 0.00 5 4 5 o 1038.830 1019.096 92.04 1.62595 0.11 2 1 14 o 119.011 121.989 96.22 1.59614 0.01 3 7 0 o 84.911 92.284 90.00 1.65045 0.00 4 2 11 o 25.304 26.098 -127.07 1.59540 0.00 6 1 4 o 115.612 103.296 100.54 1.61518 0.01 3 1 13 o 254.565 265.584 -20.28 1.59500 0.02 6 2 2 o 197.132 186.217 -159.19 1.62405 0.02 3 7 1 o 252.909 313.661 79.88 1.64647 0.03 4 6 3 o 161.837 169.911 171.81 1.62919 0.02 2 3 13 o 12.639 12.216 138.53 1.60075 0.00 5 1 9 o 191.301 192.779 -14.76 1.59713 0.02 3 6 7 o 168.609 153.083 -169.53 1.62248 0.02 3 4 11 o 202.949 214.610 77.00 1.59413 0.02 4 5 7 o 88.065 78.996 61.81 1.61173 0.01 3 3 12 o 404.347 445.545 -146.12 1.59238 0.04 0 8 0 o 3178.657 3048.445 0.00 1.65416 0.08 3 7 2 o 271.049 322.955 -48.22 1.63471 0.03 4 4 9 o 249.556 239.720 24.96 1.60049 0.02 0 4 13 o 4.930 4.840 180.00 1.59835 0.00 0 8 1 o 206.553 229.088 0.00 1.65016 0.01 0 6 10 o 310.830 271.468 180.00 1.61558 0.02 1 7 7 o 1724.928 1829.976 24.98 1.62971 0.17 6 2 3 o 100.474 93.423 -77.08 1.60536 0.01 2 6 9 o 199.153 183.733 -34.63 1.60501 0.02 6 0 5 o 125.889 133.286 -90.00 1.59397 0.01 5 5 0 o 845.846 764.715 90.00 1.61110 0.04 0 3 14 o 1.449 1.889 90.00 1.58233 0.00 2 7 6 o 453.668 387.437 94.56 1.61684 0.05 0 1 15 o 6.997 6.781 90.00 1.57095 0.00 3 7 3 o 790.153 679.231 173.58 1.61566 0.08 5 5 1 o 374.854 342.718 31.18 1.60741 0.04 1 4 13 o 284.746 333.349 130.17 1.57891 0.03 2 5 11 o 52.416 65.618 -76.47 1.58830 0.01 0 8 2 o 195.228 255.758 180.00 1.63832 0.01 1 8 0 o 312.744 356.766 90.00 1.63263 0.02 4 6 4 o 449.404 418.427 -139.25 1.60296 0.04 5 4 6 o 221.821 291.443 150.77 1.58554 0.02 1 8 1 o 375.113 391.484 -77.53 1.62878 0.04 6 1 5 o 230.504 289.505 -173.65 1.58253 0.02 1 0 15 o 28.431 24.552 -90.00 1.56327 0.00 2 2 14 o 3224.441 2680.434 -18.72 1.56241 0.30 3 2 13 o 446.551 370.091 148.70 1.56134 0.04 6 2 4 o 697.507 845.056 -164.54 1.58025 0.07 5 5 2 o 1122.532 1128.421 -70.81 1.59646 0.11 4 0 12 o 606.336 507.639 -180.00 1.56007 0.03 1 6 10 o 38.716 39.509 -23.26 1.59551 0.00 5 3 8 o 16.876 14.660 137.13 1.56647 0.00 0 5 12 o 558.382 730.474 90.00 1.58424 0.03 1 8 2 o 38.337 31.604 59.70 1.61740 0.00 1 3 14 o 127.814 106.012 35.62 1.56346 0.01 5 2 9 o 528.838 437.792 -86.11 1.56334 0.05 1 1 15 o 221.981 210.073 9.97 1.55248 0.02 6 3 0 o 13.747 16.523 -180.00 1.57997 0.00 5 5 3 o 943.958 1119.242 167.88 1.57870 0.09 0 8 3 o 62.012 53.143 0.00 1.61914 0.00 4 1 12 o 290.260 294.353 95.50 1.54934 0.03 6 3 1 o 186.303 206.674 -17.48 1.57648 0.02 3 5 10 o 282.882 240.605 -29.09 1.56630 0.03 3 7 4 o 52.090 63.862 -161.07 1.59007 0.01 1 5 12 o 89.127 74.315 -155.51 1.56530 0.01 0 7 8 o 916.897 955.856 -90.00 1.59426 0.05 5 0 10 o 52.683 61.917 0.00 1.54294 0.00 3 6 8 o 721.231 647.265 70.46 1.56843 0.07 4 3 11 o 15.671 19.841 134.55 1.54041 0.00 4 5 8 o 1048.958 841.022 -93.05 1.55871 0.10 6 3 2 o 794.965 677.255 -79.38 1.56615 0.07 0 2 15 o 5.647 7.454 180.00 1.53876 0.00 6 0 6 o 1.842 1.383 -180.00 1.55583 0.00 1 8 3 o 142.291 136.489 -116.35 1.59894 0.01 4 6 5 o 84.011 81.335 160.69 1.57103 0.01 6 1 6 o 156.288 176.634 109.23 1.54519 0.01 1 7 8 o 3.701 4.004 -69.43 1.57496 0.00 5 1 10 o 372.338 557.730 -101.24 1.53255 0.03 6 2 5 o 17.535 17.641 -53.02 1.54964 0.00 6 3 3 o 161.747 163.960 -4.65 1.54937 0.01 2 7 7 o 60.244 56.865 49.62 1.57017 0.01 5 5 4 o 323.378 280.185 -144.14 1.55480 0.03 0 8 4 o 315.489 336.797 180.00 1.59339 0.01 4 4 10 o 307.747 447.882 -173.13 1.53552 0.03 3 0 14 o 33.360 30.584 0.00 1.51567 0.00 5 4 7 o 12.135 15.528 -157.65 1.54144 0.00 1 2 15 o 291.154 314.886 -81.11 1.52139 0.02 2 0 15 o 164.913 140.687 90.00 1.51049 0.01 1 8 4 o 57.761 60.925 -131.41 1.57412 0.01 4 2 12 o 285.673 280.018 179.88 1.51844 0.03 2 8 0 o 1068.724 1089.222 0.00 1.57278 0.05 3 7 5 o 1.409 1.069 172.56 1.55889 0.00 0 6 11 o 0.740 0.931 0.00 1.54227 0.00 2 4 13 o 106.225 133.099 154.69 1.52458 0.01 3 1 14 o 29.100 25.407 -59.87 1.50582 0.00 2 8 1 o 90.628 82.975 36.10 1.56933 0.01 2 6 10 o 138.579 181.914 164.32 1.53951 0.01 2 3 14 o 21.620 17.951 67.70 1.51065 0.00 2 1 15 o 29.274 28.960 15.73 1.50074 0.00 3 3 13 o 159.252 132.773 5.76 1.50969 0.01 6 3 4 o 6.772 10.151 -35.86 1.52676 0.00 4 6 6 o 129.570 204.729 0.64 1.53449 0.01 3 4 12 o 154.024 144.454 161.31 1.51734 0.01 2 8 2 o 95.231 72.314 154.65 1.55914 0.01 6 2 6 o 61.425 52.927 109.99 1.51453 0.01 6 0 7 o 693.612 601.090 90.00 1.51411 0.03 0 8 5 o 439.367 331.905 -180.00 1.56202 0.02 2 5 12 o 511.533 421.818 76.86 1.51231 0.04 5 2 10 o 17.466 16.443 -43.14 1.50262 0.00 5 3 9 o 229.696 188.670 10.78 1.51149 0.02 5 5 5 o 9.616 12.312 -170.33 1.52561 0.00 0 4 14 o 2146.807 1765.246 0.00 1.50863 0.09 1 6 11 o 81.076 105.146 74.54 1.52478 0.01 0 7 9 o 3.659 7.047 -90.00 1.53641 0.00 2 8 3 o 14.190 17.651 -138.07 1.54258 0.00 3 6 9 o 582.430 476.020 -108.30 1.51326 0.05 6 1 7 o 89.646 80.448 -35.15 1.50429 0.01 0 0 16 o 36.503 45.218 0.00 1.48325 0.00 1 8 5 o 1223.106 1447.100 92.84 1.54386 0.11 4 0 13 o 94.949 121.973 90.00 1.48207 0.00 3 7 6 o 88.860 104.935 143.40 1.52317 0.01 3 5 11 o 1060.108 1095.339 158.38 1.49923 0.09 0 3 15 o 67.196 76.259 90.00 1.48924 0.00 2 7 8 o 832.063 892.561 -102.76 1.52102 0.07 4 5 9 o 111.804 98.179 -13.44 1.50452 0.01 1 7 9 o 41.327 40.712 -48.39 1.51912 0.00 3 2 14 o 2.089 2.789 -7.18 1.47740 0.00 5 4 8 o 239.698 265.385 43.00 1.49487 0.02 0 5 13 o 24.342 22.474 -90.00 1.50274 0.00 1 4 14 o 164.492 184.337 77.50 1.49225 0.01 0 1 16 o 629.633 767.819 -90.00 1.47402 0.03 6 3 5 o 189.891 196.668 -166.10 1.49910 0.02 4 1 13 o 18.843 21.916 127.82 1.47286 0.00 6 4 0 o 626.992 519.532 0.00 1.50659 0.03 2 2 15 o 41.464 48.277 93.78 1.47260 0.00 6 4 1 o 346.445 312.668 62.30 1.50356 0.03 5 0 11 o 87.488 118.351 90.00 1.47870 0.00 1 5 13 o 14.242 16.753 3.33 1.48655 0.00 4 7 0 o 32.955 28.491 0.00 1.51618 0.00 1 0 16 o 1.691 1.668 180.00 1.46768 0.00 0 8 6 o 133.436 192.205 0.00 1.52608 0.01 2 8 4 o 212.996 220.997 -133.50 1.52027 0.02 5 5 6 o 36.828 41.719 -138.27 1.49208 0.00 4 7 1 o 113.800 90.859 -36.53 1.51310 0.01 1 3 15 o 131.696 157.759 -10.38 1.47348 0.01 4 7 2 o 658.534 581.147 -51.07 1.50395 0.06 4 4 11 o 75.739 86.545 -88.17 1.47217 0.01 4 3 12 o 327.144 353.618 79.44 1.47079 0.03 6 4 2 o 160.827 181.135 170.92 1.49459 0.01 4 6 7 o 255.867 288.701 110.22 1.49441 0.02 6 0 8 o 8.229 8.658 0.00 1.46990 0.00 5 1 11 o 801.301 831.575 178.15 1.46956 0.07 1 1 16 o 40.644 37.900 -122.93 1.45873 0.00 6 2 7 o 145.973 198.780 94.84 1.47596 0.01 1 8 6 o 236.104 179.339 81.06 1.50913 0.02 6 4 3 o 9.480 13.697 -126.32 1.47999 0.00 5 6 0 o 150.112 169.000 90.00 1.49391 0.01 6 1 8 o 288.979 260.818 -75.92 1.46092 0.02 5 6 1 o 228.197 257.411 -112.57 1.49096 0.02 2 6 11 o 80.713 112.693 -77.87 1.47568 0.01 6 3 6 o 190.344 180.657 94.10 1.46724 0.02 5 6 2 o 72.164 96.704 -24.25 1.48221 0.01 4 7 3 o 128.482 145.383 -34.36 1.48908 0.01 5 3 10 o 389.254 371.885 -85.85 1.45641 0.03 4 2 13 o 22.770 21.453 112.63 1.44623 0.00 3 7 7 o 202.677 249.630 0.16 1.48395 0.02 2 8 5 o 242.550 274.987 -173.21 1.49295 0.02 0 6 12 o 18.842 22.233 180.00 1.47242 0.00 0 7 10 o 83.997 128.748 -90.00 1.47866 0.00 0 2 16 o 8.380 7.974 0.00 1.44733 0.00 2 7 9 o 87.591 93.375 -29.79 1.47054 0.01 2 4 14 o 1018.014 953.951 -17.66 1.44613 0.08 3 4 13 o 613.123 574.967 107.97 1.44529 0.05 5 6 3 o 464.353 441.810 -102.64 1.46797 0.04 6 4 4 o 310.950 277.260 -161.54 1.46025 0.02 0 8 7 o 105.824 121.128 0.00 1.48664 0.00 3 8 0 o 158.408 183.254 90.00 1.48615 0.01 5 2 11 o 58.278 55.874 79.05 1.44310 0.00 3 6 10 o 47.122 43.696 -58.09 1.45799 0.00 4 5 10 o 53.354 51.876 -16.50 1.45017 0.00 3 3 14 o 29.598 36.083 -27.84 1.43341 0.00 3 0 15 o 33.891 39.666 -90.00 1.43327 0.00 1 2 16 o 55.757 67.946 87.25 1.43285 0.00 1 6 12 o 60.413 56.839 158.70 1.45718 0.00 2 0 16 o 0.696 0.785 0.00 1.42373 0.00 3 8 1 o 51.691 66.935 -137.36 1.48325 0.00 1 7 10 o 130.817 111.621 -12.54 1.46323 0.01 5 5 7 o 219.317 214.661 11.11 1.45516 0.02 4 7 4 o 245.759 242.476 14.49 1.46897 0.02 5 4 9 o 557.553 522.756 -101.07 1.44687 0.04 3 8 2 o 59.064 84.794 62.95 1.47463 0.01 2 3 15 o 98.191 125.877 55.26 1.42902 0.01 4 6 8 o 434.642 433.093 -25.03 1.45186 0.03 6 2 8 o 99.713 116.163 2.90 1.43492 0.01 1 8 7 o 0.379 0.427 -93.84 1.47096 0.00 3 1 15 o 149.422 177.365 17.78 1.42493 0.01 2 5 13 o 15.723 15.548 -169.00 1.44094 0.00 7 0 1 o 362.598 343.735 -90.00 1.44780 0.01 6 4 5 o 7.713 8.825 161.35 1.43599 0.00 0 4 15 o 2.226 2.965 180.00 1.42732 0.00 3 5 12 o 117.566 139.385 -173.54 1.43483 0.01 7 1 0 o 160.754 155.503 90.00 1.44186 0.01 5 6 4 o 83.071 78.859 -98.43 1.44870 0.01 2 8 6 o 117.462 99.629 77.61 1.46148 0.01 5 0 12 o 362.940 322.619 -180.00 1.41680 0.01 3 8 3 o 134.298 114.916 -113.91 1.46060 0.01 7 0 2 o 541.256 552.049 0.00 1.43978 0.02 6 0 9 o 0.028 0.074 90.00 1.42419 0.00 6 3 7 o 49.913 63.671 43.39 1.43209 0.00 7 1 1 o 243.298 252.036 11.79 1.43921 0.02 2 1 16 o 592.865 513.881 -65.82 1.41556 0.04 4 7 5 o 169.406 153.578 -152.65 1.44428 0.01 3 7 8 o 36.100 33.875 136.87 1.44226 0.00 0 5 14 o 2.776 3.757 90.00 1.42746 0.00 4 0 14 o 902.652 769.354 0.00 1.40970 0.03 5 1 12 o 135.058 115.029 -121.76 1.40875 0.01 7 1 2 o 21.654 28.546 -89.80 1.43133 0.00 6 1 9 o 439.838 378.370 -9.46 1.41602 0.03 1 4 15 o 126.802 104.772 -133.61 1.41342 0.01 4 3 13 o 199.913 181.384 130.11 1.40489 0.01 0 9 1 o 126.884 116.364 -90.00 1.46755 0.01 7 0 3 o 52.716 69.572 -90.00 1.42671 0.00 4 4 12 o 81.408 66.571 -157.48 1.41105 0.01 7 1 3 o 395.615 364.660 170.36 1.41849 0.03 4 1 14 o 91.590 89.991 103.62 1.40177 0.01 5 6 5 o 377.199 494.275 72.68 1.42500 0.03 3 2 15 o 11.227 11.348 -115.42 1.40078 0.00 5 5 8 o 52.906 43.731 146.10 1.41578 0.00 3 8 4 o 27.546 25.973 -155.96 1.44162 0.00 2 6 12 o 66.006 52.751 -137.92 1.41414 0.01 0 3 16 o 397.270 351.560 -90.00 1.40590 0.01 1 5 14 o 66.112 53.177 8.26 1.41356 0.01 1 9 0 o 95.613 94.196 -90.00 1.45518 0.00 0 9 2 o 1510.111 1318.833 -90.00 1.45920 0.06 0 8 8 o 307.833 274.198 0.00 1.44473 0.01 6 5 0 o 25.263 33.018 -180.00 1.42573 0.00 1 9 1 o 410.304 415.722 -5.70 1.45246 0.03 7 2 0 o 1.418 1.183 -90.00 1.41685 0.00 5 3 11 o 559.843 544.421 171.79 1.40202 0.04 6 5 1 o 187.057 223.036 17.35 1.42316 0.01 7 0 4 o 85.772 71.840 -180.00 1.40900 0.00 6 5 2 o 409.380 332.935 -51.30 1.41554 0.03 1 3 16 o 19.281 22.147 -2.78 1.39261 0.00 6 4 6 o 23.446 19.772 -77.16 1.40791 0.00 0 7 11 o 69.562 77.557 -90.00 1.42184 0.00 4 6 9 o 112.309 94.324 9.65 1.40776 0.01 2 2 16 o 27.995 31.762 -100.58 1.39187 0.00 7 2 1 o 107.060 87.411 -108.42 1.41433 0.01 1 0 17 o 148.944 160.839 -90.00 1.38299 0.01 2 8 7 o 14.953 21.644 113.14 1.42673 0.00 5 4 10 o 126.575 140.066 -55.66 1.39834 0.01 2 7 10 o 73.913 71.388 -58.51 1.41967 0.01 0 9 3 o 181.107 160.190 -90.00 1.44560 0.01 1 8 8 o 122.259 173.972 95.51 1.43033 0.01 0 1 17 o 11.291 12.460 -90.00 1.38830 0.00 4 5 11 o 29.615 34.494 -118.78 1.39645 0.00 3 6 11 o 118.478 109.324 111.56 1.40343 0.01 1 9 2 o 286.382 254.050 -3.68 1.44436 0.02 6 3 8 o 283.814 335.423 -77.70 1.39451 0.02 4 7 6 o 377.904 302.743 81.18 1.41573 0.03 7 1 4 o 311.414 312.799 -76.42 1.40108 0.02 5 2 12 o 151.804 166.871 150.90 1.38540 0.01 7 2 2 o 245.852 211.735 7.88 1.40686 0.02 6 2 9 o 0.812 0.998 68.07 1.39231 0.00 0 6 13 o 94.976 81.697 180.00 1.40630 0.00 1 1 17 o 314.921 309.056 169.55 1.37550 0.02 3 8 5 o 551.061 484.682 90.70 1.41826 0.04 6 5 3 o 51.644 48.160 -27.68 1.40312 0.00 7 2 3 o 65.883 78.777 -78.55 1.39466 0.01 1 7 11 o 580.320 479.737 -171.47 1.40810 0.04 4 2 14 o 710.053 720.929 -8.04 1.37876 0.05 3 4 14 o 22.798 22.689 156.82 1.37794 0.00 6 0 10 o 220.435 220.194 180.00 1.37783 0.01 1 6 13 o 207.856 245.585 101.22 1.39301 0.02 3 7 9 o 24.468 27.032 134.83 1.39901 0.00 1 9 3 o 179.564 253.474 176.88 1.43117 0.01 5 6 6 o 49.118 57.452 137.80 1.39755 0.00 2 4 15 o 193.884 188.112 42.15 1.37404 0.01 7 0 5 o 464.235 511.954 90.00 1.38717 0.02 0 9 4 o 52.725 77.501 90.00 1.42719 0.00 6 1 10 o 22.797 23.357 -51.26 1.37043 0.00 2 5 14 o 32.133 30.973 146.38 1.37417 0.00 0 2 17 o 11.269 11.865 -180.00 1.36593 0.00 3 5 13 o 41.336 40.046 25.31 1.37344 0.00 7 1 5 o 11.051 11.430 -51.23 1.37961 0.00 6 5 4 o 24.313 27.128 -6.36 1.38626 0.00 7 2 4 o 155.061 154.230 175.72 1.37810 0.01 1 9 4 o 193.867 146.311 177.17 1.41330 0.01 3 3 15 o 104.263 105.400 27.01 1.36312 0.01 2 9 0 o 26.457 19.893 0.00 1.41232 0.00 4 7 7 o 57.162 64.331 77.53 1.38408 0.00 6 4 7 o 169.377 164.005 85.61 1.37677 0.01 0 8 9 o 17.678 17.618 0.00 1.40127 0.00 2 9 1 o 27.813 21.674 -36.06 1.40983 0.00 5 5 9 o 74.513 70.934 22.68 1.37480 0.01 3 8 6 o 72.580 84.081 114.50 1.39119 0.01 7 3 0 o 225.973 222.603 90.00 1.37791 0.01 5 7 0 o 25.060 28.053 90.00 1.38368 0.00 2 8 8 o 178.876 198.652 -12.24 1.38956 0.01 7 3 1 o 179.164 170.426 4.36 1.37560 0.01 7 0 6 o 129.374 127.805 -180.00 1.36181 0.00 1 8 9 o 91.224 100.183 -79.61 1.38811 0.01 7 3 2 o 85.081 90.939 -54.55 1.36872 0.01 5 7 1 o 78.769 85.565 34.05 1.38134 0.01 2 9 2 o 292.056 273.967 -78.52 1.40242 0.02 5 6 7 o 113.796 124.002 -179.05 1.36708 0.01 4 8 0 o 341.711 381.014 0.00 1.38587 0.01 0 9 5 o 59.863 51.362 -90.00 1.40451 0.00 6 5 5 o 126.336 133.973 -152.05 1.36545 0.01 4 8 1 o 127.561 144.193 53.07 1.38351 0.01 4 6 10 o 228.589 228.801 -179.42 1.36294 0.02 2 7 11 o 35.934 38.507 -102.50 1.36916 0.00 5 7 2 o 72.235 67.287 -85.99 1.37437 0.01 2 9 3 o 162.800 183.406 -76.25 1.39034 0.01 4 8 2 o 38.237 35.732 128.53 1.37651 0.00 1 9 5 o 25.059 28.963 -175.08 1.39127 0.00 0 7 12 o 141.952 154.586 90.00 1.36655 0.00 5 7 3 o 688.314 688.801 173.84 1.36299 0.05 3 8 7 o 134.575 128.265 163.43 1.36112 0.01 4 8 3 o 98.848 105.656 -118.32 1.36508 0.01 2 9 4 o 20.858 19.172 -12.96 1.37393 0.00 0 9 6 o 290.822 284.061 90.00 1.37822 0.01 1 9 6 o 10.863 11.957 52.50 1.36569 0.00