#------------------------------------------------------------------------------ #$Date: 2025-07-01 16:04:19 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1352 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000085.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_4000085 loop_ _publ_author_name 'Colodrero, Rosario M. P.' 'Papathanasiou, Konstantinos E.' 'Stavgianoudaki, Nikoleta' 'Olivera-Pastor, Pascual' 'Losilla, Enrique R.' 'Aranda, Miguel A. G.' 'Le\'on-Reina, Laura' 'Sanz, Jes\'us' 'Sobrados, Isabel' 'Choquesillo-Lazarte, Duane' 'Garc\'ia-Ruiz, Juan M.' 'Atienzar, Pedro' 'Rey, Fernando' 'Demadis, Konstantinos D.' 'Cabeza, Aurelio' _publ_section_title ; Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations ; _journal_issue 19 _journal_name_full 'Chemistry of Materials' _journal_page_first 3780 _journal_page_last 3792 _journal_paper_doi 10.1021/cm302381k _journal_volume 24 _journal_year 2012 _chemical_formula_moiety 'C8 H43 Ce3 O40 P4' _chemical_formula_sum 'C8 H43 Ce3 O40 P4' _chemical_formula_weight 1323.30 _space_group_IT_number 45 _space_group_name_Hall 'I 2 -2c' _space_group_name_H-M_alt 'I b a 2' _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 45 _symmetry_space_group_name_H-M 'I b a 2' _audit_creation_date 2012-02-29T14:11 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2012-02-29T14:11 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 13.4033(5) _cell_length_b 26.6912(10) _cell_length_c 11.0963(5) _cell_measurement_temperature 293 _cell_volume 3969.7(3) _computing_structure_refinement GSAS _diffrn_ambient_temperature 293 _diffrn_measurement_device_type 'PANalytical X'PERT PRO' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.5406 _diffrn_source 'sealed X-ray tube' _diffrn_source_type X-ray _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. ; _exptl_crystal_colour Colorless _exptl_crystal_density_diffrn 2.142 _pd_block_id 2012-02-29T14:11|CEHPAA_CAB_16H2O|CeHPAA| _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.017 _pd_meas_2theta_range_max 109.9864 _pd_meas_2theta_range_min 4.0084 _pd_phase_name Ce3(H0.75O3PCHOHCOO)4(H2O)16 _pd_proc_2theta_range_inc 0.017 _pd_proc_2theta_range_max 109.94592 _pd_proc_2theta_range_min 3.96792 _pd_proc_info_datetime 2012-02-29T14:11:15 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 7 with 26 terms. Linear interpolation 1: 2397.11 2: 1937.88 3: 1705.16 4: 1973.32 5: 1698.83 6: 1395.92 7: 1227.10 8: 1079.74 9: 985.229 10: 922.016 11: 975.179 12: 888.590 13: 869.242 14: 797.722 15: 808.307 16: 784.703 17: 793.816 18: 793.242 19: 801.915 20: 763.496 21: 758.392 22: 751.027 23: 757.780 24: 715.980 25: 729.332 26: 688.851 ; _pd_proc_ls_peak_cutoff 0.00500 _pd_proc_ls_pref_orient_corr ; March-Dollase AXIS 1 Ratio= 0.94536 h= 0.000 k= 1.000 l= 0.000 Prefered orientation correction range: Min= 0.91917, Max= 1.18361 ; _pd_proc_ls_profile_function ; CW Profile function number 4 with 18 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. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 0.000 #2(GV) = 0.000 #3(GW) = 4.308 #4(GP) = 0.000 #5(LX) = 8.445 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = 0.0000 #9(sfec) = 0.00 #10(S/L) = 0.0191 #11(H/L) = 0.0197 #12(eta) = 0.4435 #13(S400 ) = 8.8E-03 #14(S040 ) = 5.4E-04 #15(S004 ) = 6.1E-02 #16(S220 ) = 3.1E-03 #17(S202 ) = 1.5E-02 #18(S022 ) = 1.9E-03 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 0.0342 _pd_proc_ls_prof_wR_expected 0.0265 _pd_proc_ls_prof_wR_factor 0.0444 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.78 _refine_ls_matrix_type full _refine_ls_number_parameters 120 _refine_ls_number_restraints 55 _refine_ls_R_Fsqd_factor 0.06693 _refine_ls_shift/su_max 0.03 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.090 _reflns_d_resolution_low 7.413 _reflns_limit_h_max 12 _reflns_limit_h_min 0 _reflns_limit_k_max 24 _reflns_limit_k_min 0 _reflns_limit_l_max 10 _reflns_limit_l_min 0 _reflns_number_total 868 _cod_data_source_file cm302381k_si_002.cif _cod_data_source_block CEHPA-I _cod_original_cell_volume 3969.69(34) _cod_database_code 4000085 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+1/2,-y+1/2,+z 4 -x,-y,+z 101 +x+1/2,+y+1/2,+z+1/2 102 -x,+y,+z+1/2 103 +x,-y,+z+1/2 104 -x+1/2,-y+1/2,+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 Ce Ce1 0.5 0.5 0.4777(17) 1.0 Uiso 0.0115(9) 4 Ce Ce2 0.65159(25) 0.27840(12) 0.2461(16) 1.0 Uiso 0.0115(9) 8 P P1 0.6924(9) 0.2998(4) -0.0771(14) 1.0 Uiso 0.0115(9) 8 P P2 0.7018(9) 0.4091(4) 0.5604(18) 1.0 Uiso 0.0115(9) 8 O O1 0.6628(15) 0.3122(8) 0.0535(14) 1.0 Uiso 0.0115(9) 8 O O2 0.7197(13) 0.2376(6) 0.4232(22) 1.0 Uiso 0.0115(9) 8 O O3 0.7298(15) 0.3460(6) -0.1473(25) 1.0 Uiso 0.0115(9) 8 C C1 0.4120(11) 0.2738(10) 0.3441 1.0 Uiso 0.0115(9) 8 O O4 0.4974(12) 0.2718(11) 0.4134(15) 1.0 Uiso 0.0115(9) 8 C C2 0.9161(14) 0.2412(9) 0.2146(8) 1.0 Uiso 0.0115(9) 8 O O5 0.8315(15) 0.2490(7) 0.1632(15) 1.0 Uiso 0.0115(9) 8 O O6 0.4845(16) 0.2745(13) 0.1441(13) 1.0 Uiso 0.0115(9) 8 O O7 0.7559(17) 0.3817(7) 0.6634(22) 1.0 Uiso 0.0115(9) 8 O O8 0.7758(15) 0.4247(8) 0.4613(22) 1.0 Uiso 0.0115(9) 8 O O9 0.6488(15) 0.4554(6) 0.6116(26) 1.0 Uiso 0.0115(9) 8 C C3 0.6107(12) 0.3672(6) 0.4955(20) 1.0 Uiso 0.0115(9) 8 O O10 0.6499(20) 0.3192(5) 0.4743(20) 1.0 Uiso 0.0115(9) 8 C C4 0.5803(15) 0.3915(6) 0.3781(21) 1.0 Uiso 0.0115(9) 8 O O11 0.5835(21) 0.3646(6) 0.2830(21) 1.0 Uiso 0.0115(9) 8 O O12 0.6081(13) 0.4372(6) 0.3668(23) 1.0 Uiso 0.0115(9) 8 O Ow1 0.6729(19) 0.1989(9) 0.1279(29) 1.0 Uiso 0.0115(9) 8 O Ow2 0.5672(20) 0.1725(10) 0.5095(32) 1.0 Uiso 0.0115(9) 8 O Ow3 0.5175(28) 0.0705(10) 0.4366(33) 1.0 Uiso 0.0115(9) 8 O Ow4 0.7945(21) 0.3412(9) 0.220(4) 1.0 Uiso 0.0115(9) 8 O Ow5 0.5563(17) 0.5557(9) 0.6246(23) 1.0 Uiso 0.0115(9) 8 O Ow6 0.5970(12) 0.5773(9) 0.3854(25) 1.0 Uiso 0.0115(9) 8 O Ow7 0.7131(18) 0.0321(12) 0.3745(26) 1.0 Uiso 0.0115(9) 8 O Ow9 0.8152(29) 0.5717(12) 0.6070(27) 1.0 Uiso 0.0115(9) 8 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 Ce 12.0 0.000 0.000 21.1671 2.81219 19.7695 0.22684 11.8513 17.6083 3.33049 127.113 1.86264 International_Tables_Vol_C P 16.0 0.000 0.000 6.43450 1.90670 4.17910 27.1570 1.78000 0.52600 1.49080 68.1645 1.11490 International_Tables_Vol_C O 160.0 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 C 32.0 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 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 O12 Ce1 O12 121.9(10) 1_555 . 4_665 N O12 Ce1 Ow5 125.2(8) 1_555 . 1_555 N O12 Ce1 Ow5 95.9(7) 1_555 . 4_665 N O12 Ce1 Ow6 92.7(6) 1_555 . 1_555 N O12 Ce1 Ow6 65.0(4) 1_555 . 4_665 N O12 Ce1 Ow5 95.9(7) 4_665 . 1_555 N O12 Ce1 Ow5 125.2(8) 4_665 . 4_665 N O12 Ce1 Ow6 65.0(4) 4_665 . 1_555 N O12 Ce1 Ow6 92.7(6) 4_665 . 4_665 N Ow5 Ce1 Ow5 91.3(12) 1_555 . 4_665 N Ow5 Ce1 Ow6 67.3(4) 1_555 . 1_555 N Ow5 Ce1 Ow6 158.0(10) 1_555 . 4_665 N Ow5 Ce1 Ow6 158.0(10) 4_665 . 1_555 N Ow5 Ce1 Ow6 67.3(4) 4_665 . 4_665 N Ow6 Ce1 Ow6 134.5(11) 1_555 . 4_665 N O1 Ce2 O2 153.5(7) 1_555 . 1_555 N O1 Ce2 O5 75.0(6) 1_555 . 1_555 N O1 Ce2 O6 70.0(7) 1_555 . 1_555 N O1 Ce2 O11 79.5(7) 1_555 . 1_555 N O1 Ce2 Ow1 80.8(8) 1_555 . 1_555 N O1 Ce2 Ow4 66.0(10) 1_555 . 1_555 N O2 Ce2 O5 79.0(6) 1_555 . 1_555 N O2 Ce2 O6 133.1(8) 1_555 . 1_555 N O2 Ce2 O11 114.6(6) 1_555 . 1_555 N O2 Ce2 Ow1 90.1(8) 1_555 . 1_555 N O2 Ce2 Ow4 96.0(10) 1_555 . 1_555 N O5 Ce2 O6 129.1(7) 1_555 . 1_555 N O5 Ce2 O11 130.4(8) 1_555 . 1_555 N O5 Ce2 Ow1 58.3(4) 1_555 . 1_555 N O5 Ce2 Ow4 58.9(7) 1_555 . 1_555 N O6 Ce2 O11 77.7(10) 1_555 . 1_555 N O6 Ce2 Ow1 80.3(10) 1_555 . 1_555 N O6 Ce2 Ow4 129.9(10) 1_555 . 1_555 N O11 Ce2 Ow1 154.4(8) 1_555 . 1_555 N O11 Ce2 Ow4 72.0(8) 1_555 . 1_555 N Ow1 Ce2 Ow4 114.1(10) 1_555 . 1_555 N O1 P1 O2 109.5(7) 1_555 . 104_654 N O1 P1 O3 112.7(7) 1_555 . 1_555 N O1 P1 C1 110.0(6) 1_555 . 102_544 N O2 P1 O3 105.7(6) 104_654 . 1_555 N O2 P1 C1 110.3(6) 104_654 . 102_544 N O3 P1 C1 108.5(7) 1_555 . 102_544 N O7 P2 O8 110.8(7) 1_555 . 1_555 N O7 P2 O9 109.1(7) 1_555 . 1_555 N O7 P2 C3 108.6(6) 1_555 . 1_555 N O8 P2 O9 110.2(7) 1_555 . 1_555 N O8 P2 C3 108.6(6) 1_555 . 1_555 N O9 P2 C3 109.5(6) 1_555 . 1_555 N Ce2 O1 P1 143.0(12) 1_555 . 1_555 N Ce2 O2 P1 125.2(10) 1_555 . 104_655 N P1 C1 O4 113.0(7) 102_545 . 1_555 N P1 C1 C2 127.1(10) 102_545 . 3_455 N O4 C1 C2 119.7(8) 1_555 . 3_455 N C1 C2 O5 116.0(9) 3_555 . 1_555 N C1 C2 O6 121.9(11) 3_555 . 3_555 N O5 C2 O6 114.5(10) 1_555 . 3_555 N Ce2 O5 C2 133.1(9) 1_555 . 1_555 N Ce2 O6 C2 112.2(12) 1_555 . 3_455 N P2 C3 O10 112.3(8) 1_555 . 1_555 N P2 C3 C4 105.0(9) 1_555 . 1_555 N O10 C3 C4 110.4(8) 1_555 . 1_555 N C3 C4 O11 117.4(8) 1_555 . 1_555 N C3 C4 O12 114.5(9) 1_555 . 1_555 N O11 C4 O12 116.4(10) 1_555 . 1_555 N Ce2 O11 C4 131.6(11) 1_555 . 1_555 N Ce1 O12 C4 114.5(9) 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 Ce1 O9 2.757(23) . 1_555 N Ce1 O9 2.757(23) . 4_665 N Ce1 O12 2.535(14) . 1_555 N Ce1 O12 2.535(14) . 4_665 N Ce1 Ow5 2.332(19) . 1_555 N Ce1 Ow5 2.332(19) . 4_665 N Ce1 Ow6 2.646(20) . 1_555 N Ce1 Ow6 2.646(20) . 4_665 N Ce2 P1 3.546(11) . 104_655 N Ce2 O1 2.325(19) . 1_555 N Ce2 O2 2.425(16) . 1_555 N Ce2 O4 2.783(18) . 1_555 N Ce2 C2 3.219(18) . 3_455 N Ce2 O5 2.698(19) . 1_555 N Ce2 O6 2.512(24) . 1_555 N Ce2 O10 2.756(18) . 1_555 N Ce2 O11 2.508(18) . 1_555 N Ce2 Ow1 2.510(21) . 1_555 N Ce2 Ow4 2.563(27) . 1_555 N P1 Ce2 3.546(11) . 104_654 N P1 O1 1.538(5) . 1_555 N P1 O2 1.544(5) . 104_654 N P1 O3 1.544(5) . 1_555 N P1 C1 1.791(5) . 102_654 N P1 O4 2.653(10) . 102_654 N P2 O7 1.539(5) . 1_555 N P2 O8 1.538(5) . 1_555 N P2 O9 1.534(5) . 1_555 N P2 C3 1.806(5) . 1_555 N P2 O10 2.674(10) . 1_555 N P2 O12 2.599(21) . 1_555 N O1 Ce2 2.325(19) . 1_555 N O1 P1 1.538(5) . 1_555 N O1 O2 2.518(10) . 104_654 N O1 O3 2.566(10) . 1_555 N O1 O4 2.862(20) . 102_654 N O1 O6 2.780(26) . 1_555 N O1 Ow4 2.67(4) . 1_555 N O2 Ce2 2.425(16) . 1_555 N O2 P1 1.544(5) . 104_655 N O2 O1 2.518(10) . 104_655 N O2 O3 2.461(10) . 104_655 N O2 O5 2.773(27) . 104_655 N O2 O10 2.438(22) . 1_555 N O2 Ow2 2.850(11) . 1_555 N O3 P1 1.544(5) . 1_555 N O3 O1 2.566(10) . 1_555 N O3 O2 2.461(10) . 104_654 N O3 O7 2.333(23) . 1_554 N O3 Ow6 2.735(11) . 103_564 N C1 P1 1.791(5) . 102_655 N C1 O4 1.379(5) . 1_555 N C1 C2 1.492(5) . 3_455 N C1 O5 2.358(10) . 3_455 N C1 O6 2.423(11) . 1_555 N O4 Ce2 2.783(18) . 1_555 N O4 P1 2.653(10) . 102_655 N O4 O1 2.862(20) . 102_655 N O4 C1 1.379(5) . 1_555 N O4 C2 2.484(9) . 3_455 N O4 O6 2.994(21) . 1_555 N O4 O6 2.572(20) . 102_655 N O4 O10 2.498(29) . 1_555 N C2 Ce2 3.219(18) . 3_555 N C2 C1 1.492(5) . 3_555 N C2 O4 2.484(9) . 3_555 N C2 O5 1.286(5) . 1_555 N C2 O6 1.277(5) . 3_555 N O5 Ce2 2.698(19) . 1_555 N O5 O2 2.773(27) . 104_654 N O5 C1 2.358(10) . 3_555 N O5 C2 1.286(5) . 1_555 N O5 O6 2.155(11) . 3_555 N O5 O10 2.787(11) . 104_654 N O5 Ow1 2.541(11) . 1_555 N O5 Ow4 2.590(28) . 1_555 N O6 Ce2 2.512(24) . 1_555 N O6 O1 2.780(26) . 1_555 N O6 C1 2.423(11) . 1_555 N O6 O4 2.994(21) . 1_555 N O6 O4 2.572(20) . 102_654 N O6 C2 1.277(5) . 3_455 N O6 O5 2.155(11) . 3_455 N O6 O10 2.87(4) . 102_654 N O7 P2 1.539(5) . 1_555 N O7 O3 2.333(23) . 1_556 N O7 O8 2.533(10) . 1_555 N O7 O9 2.503(10) . 1_555 N O7 Ow1 2.385(34) . 104_655 N O8 P2 1.538(5) . 1_555 N O8 O7 2.533(10) . 1_555 N O8 O9 2.520(10) . 1_555 N O8 O12 2.503(31) . 1_555 N O9 Ce1 2.757(23) . 1_555 N O9 P2 1.534(5) . 1_555 N O9 O7 2.503(10) . 1_555 N O9 O8 2.520(10) . 1_555 N O9 O12 2.813(29) . 1_555 N O9 Ow5 2.953(29) . 1_555 N O9 Ow5 2.769(11) . 4_665 N C3 P2 1.806(5) . 1_555 N C3 O10 1.403(6) . 1_555 N C3 C4 1.513(5) . 1_555 N C3 O11 2.388(10) . 1_555 N C3 O12 2.352(11) . 1_555 N O10 Ce2 2.756(18) . 1_555 N O10 P2 2.674(10) . 1_555 N O10 O2 2.438(22) . 1_555 N O10 O4 2.498(29) . 1_555 N O10 O5 2.787(11) . 104_655 N O10 O6 2.87(4) . 102_655 N O10 C3 1.403(6) . 1_555 N O10 C4 2.395(10) . 1_555 N O10 O11 2.601(21) . 1_555 N O10 Ow1 2.964(35) . 104_655 N C4 C3 1.513(5) . 1_555 N C4 O10 2.395(10) . 1_555 N C4 O11 1.278(5) . 1_555 N C4 O12 1.280(5) . 1_555 N C4 Ow6 2.519(10) . 4_665 N O11 Ce2 2.508(18) . 1_555 N O11 C3 2.388(10) . 1_555 N O11 O10 2.601(21) . 1_555 N O11 C4 1.278(5) . 1_555 N O11 O12 2.175(11) . 1_555 N O11 Ow4 2.98(4) . 1_555 N O11 Ow5 2.784(11) . 103_564 N O12 Ce1 2.535(14) . 1_555 N O12 P2 2.599(21) . 1_555 N O12 O8 2.503(31) . 1_555 N O12 O9 2.813(29) . 1_555 N O12 C3 2.352(11) . 1_555 N O12 C4 1.280(5) . 1_555 N O12 O11 2.175(11) . 1_555 N O12 Ow5 2.782(10) . 103_564 N O12 Ow6 2.785(10) . 4_665 N Ow1 Ce2 2.510(21) . 1_555 N Ow1 O5 2.541(11) . 1_555 N Ow1 O7 2.385(34) . 104_654 N Ow1 O10 2.964(35) . 104_654 N Ow2 O2 2.850(11) . 1_555 N Ow2 Ow3 2.92(4) . 1_555 N Ow3 Ow2 2.92(4) . 1_555 N Ow3 Ow7 2.90(5) . 1_555 N Ow3 Ow9 2.93(5) . 2_645 N Ow4 Ce2 2.563(27) . 1_555 N Ow4 O1 2.67(4) . 1_555 N Ow4 O5 2.590(28) . 1_555 N Ow4 O11 2.98(4) . 1_555 N Ow4 Ow9 2.65(4) . 103_564 N Ow5 Ce1 2.332(19) . 1_555 N Ow5 O9 2.953(29) . 1_555 N Ow5 O9 2.769(11) . 4_665 N Ow5 O11 2.784(11) . 103_565 N Ow5 O12 2.782(10) . 103_565 N Ow5 Ow6 2.771(11) . 1_555 N Ow6 Ce1 2.646(20) . 1_555 N Ow6 O3 2.735(11) . 103_565 N Ow6 C4 2.519(10) . 4_665 N Ow6 O12 2.785(10) . 4_665 N Ow6 Ow5 2.771(11) . 1_555 N Ow6 Ow7 2.819(11) . 2_655 N Ow7 Ow3 2.90(5) . 1_555 N Ow7 Ow6 2.819(11) . 2_645 N Ow7 Ow9 2.813(11) . 2_645 N Ow9 Ow3 2.93(5) . 2_655 N Ow9 Ow4 2.65(4) . 103_565 N Ow9 Ow7 2.813(11) . 2_655 N