#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:23:01 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1238 $
#$URL: svn://crystallography.net/testcod/cif/4/10/00/4100018.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_4100018
loop_
_publ_author_name
'Kui, Steven C. F.'
'Chui, Stephen Sin-Yin'
'Che, Chi-Ming'
'Zhu, Nianyong'
_publ_section_title
;
 Structures, Photoluminescence, and Reversible Vapoluminescence Properties
 of Neutral Platinum(II) Complexes Containing Extended π-Conjugated
 Cyclometalated Ligands
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8297
_journal_page_last               8309
_journal_paper_doi               10.1021/ja061422x
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C75 H52 N2 P2 Pt2'
_chemical_formula_weight         1433.38
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2005-02-12T02:52
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-02-12T02:52  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.556(11)
_cell_angle_beta                 102.217(9)
_cell_angle_gamma                96.998(11)
_cell_formula_units_Z            4
_cell_length_a                   15.4978(20)
_cell_length_b                   19.3316(25)
_cell_length_c                   21.3081(25)
_cell_volume                     6188.6(14)
_computing_structure_refinement  GSAS
_diffrn_radiation_probe          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.
;
_pd_block_id
2005-02-12T02:52|1B|Stephen_Chui|Philips_X-pert_APD
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        49.99
_pd_meas_2theta_range_min        2.99
_pd_meas_number_of_points        2351
_pd_phase_name
'desolvated form of [Pt(CNC)]2(dppm) - HKU DATA'
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        49.99
_pd_proc_2theta_range_min        2.99
_pd_proc_info_datetime           2005-02-12T02:52:39
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 7 with 36 terms.
 Linear interpolation
      1:    37.7069     2:    38.2871     3:   -145.966     4:   -146.132    
      5:   -15.0683     6:    70.7626     7:   -7.14311     8:   -15.7181    
      9:    7.91974    10:    5.75458    11:    20.3492    12:    14.9976    
     13:    47.1841    14:    50.5798    15:    7.61930    16:    64.5403    
     17:    49.5575    18:    42.3320    19:    42.0457    20:    26.3837    
     21:    29.2600    22:    41.0017    23:    54.1644    24:    22.2303    
     25:    35.9335    26:    17.0851    27:    32.8529    28:    31.8899    
     29:    25.1434    30:    11.1845    31:    26.9993    32:    25.0125    
     33:    21.0929    34:    32.5578    35:    33.4511    36:    31.2169    
;
_pd_proc_ls_peak_cutoff          0.00200
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   2.05703  h= 1.000  k= 1.000  l= 1.000
 Prefered orientation correction range: Min=   0.11489, Max=   2.95026
;
_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)   =    2.000 #2(GV)   =   -2.000 #3(GW)   =   12.859
 #4(GP)   =    0.100 #5(LX)   =    1.403 #6(LY)   =    0.000
 #7(S/L)  =   0.1000 #8(H/L)  =   0.1000
 #9(trns) =    21.32 #10(shft)=   0.3831
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0020 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0797
_pd_proc_ls_prof_wR_expected     0.1042
_pd_proc_ls_prof_wR_factor       0.1123
_pd_proc_number_of_points        2351
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   2.13
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_restraints     1048
_refine_ls_R_Fsqd_factor         0.66538
_refine_ls_shift/su_max          0.55
_refine_ls_shift/su_mean         0.04
_reflns_d_resolution_high        1.818
_reflns_d_resolution_low         20.812
_reflns_limit_h_max              8
_reflns_limit_h_min              0
_reflns_limit_k_max              10
_reflns_limit_k_min              -10
_reflns_limit_l_max              11
_reflns_limit_l_min              -11
_reflns_number_total             2946
_cod_data_source_file            ja061422xsi20060301_040711.cif
_cod_data_source_block           1B_publ
_cod_original_cell_volume        6188.6(13)
_cod_database_code               4100018
_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
-1 -x,-y,-z
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
Pt PT1 0.529(24) -0.727(19) -0.277(14) 1.0 Uiso 0.025 2
Pt PT2 0.491(18) -0.673(15) -0.134(12) 1.0 Uiso 0.025 2
Pt PT3 -0.112(17) -0.269(15) -0.227(12) 1.0 Uiso 0.025 2
Pt PT4 0.119(18) -0.154(13) -0.366(14) 1.0 Uiso 0.025 2
P P1 0.385(21) -0.777(15) -0.300(13) 1.0 Uiso 0.025 2
P P2 0.411(16) -0.779(16) -0.148(11) 1.0 Uiso 0.025 2
P P3 -0.071(17) -0.317(13) -0.309(11) 1.0 Uiso 0.025 2
P P4 0.112(18) -0.217(12) -0.278(14) 1.0 Uiso 0.025 2
N N1 0.656(25) -0.683(27) -0.243(19) 1.0 Uiso 0.025 2
N N2 0.559(22) -0.579(16) -0.112(14) 1.0 Uiso 0.025 2
N N3 -0.125(16) -0.208(14) -0.154(13) 1.0 Uiso 0.025 2
N N4 0.100(19) -0.107(13) -0.451(14) 1.0 Uiso 0.025 2
C C1 0.586(23) -0.813(23) -0.250(20) 1.0 Uiso 0.025 2
C C2 0.677(23) -0.797(28) -0.219(20) 1.0 Uiso 0.025 2
C C3 0.728(22) -0.846(30) -0.196(21) 1.0 Uiso 0.025 2
H H3 0.790(25) -0.83(4) -0.176(31) 1.0 Uiso 0.025 2
C C4 0.691(23) -0.916(29) -0.199(15) 1.0 Uiso 0.025 2
C C5 0.603(22) -0.934(26) -0.229(17) 1.0 Uiso 0.025 2
C C6 0.552(21) -0.884(24) -0.257(16) 1.0 Uiso 0.025 2
H H6 0.490(22) -0.897(26) -0.275(19) 1.0 Uiso 0.025 2
C C7 0.737(25) -0.964(30) -0.165(19) 1.0 Uiso 0.025 2
H H7 0.798(26) -0.95(4) -0.143(30) 1.0 Uiso 0.025 2
C C8 0.699(29) -1.030(32) -0.166(22) 1.0 Uiso 0.025 2
H H8 0.73(4) -1.064(35) -0.144(18) 1.0 Uiso 0.025 2
C C9 0.612(27) -1.049(28) -0.199(21) 1.0 Uiso 0.025 2
H H9 0.585(30) -1.097(32) -0.198(23) 1.0 Uiso 0.025 2
C C10 0.564(24) -1.002(26) -0.228(17) 1.0 Uiso 0.025 2
H H10 0.504(26) -1.016(26) -0.250(27) 1.0 Uiso 0.025 2
C C11 0.711(25) -0.726(32) -0.217(21) 1.0 Uiso 0.025 2
C C12 0.801(26) -0.69(4) -0.190(24) 1.0 Uiso 0.025 2
H H12 0.846(29) -0.72(5) -0.171(33) 1.0 Uiso 0.025 2
C C13 0.823(31) -0.63(4) -0.193(29) 1.0 Uiso 0.025 2
H H13 0.883(34) -0.61(5) -0.174(34) 1.0 Uiso 0.025 2
C C14 0.764(34) -0.587(34) -0.219(28) 1.0 Uiso 0.025 2
H H14 0.78(4) -0.54(4) -0.22(4) 1.0 Uiso 0.025 2
C C15 0.675(30) -0.614(27) -0.246(24) 1.0 Uiso 0.025 2
C C16 0.606(34) -0.581(23) -0.273(27) 1.0 Uiso 0.025 2
C C17 0.515(31) -0.625(18) -0.296(26) 1.0 Uiso 0.025 2
C C18 0.447(33) -0.591(18) -0.324(27) 1.0 Uiso 0.025 2
H H18 0.39(4) -0.616(17) -0.339(27) 1.0 Uiso 0.025 2
C C19 0.46(4) -0.517(19) -0.329(26) 1.0 Uiso 0.025 2
C C20 0.55(4) -0.478(20) -0.308(30) 1.0 Uiso 0.025 2
C C21 0.62(4) -0.511(23) -0.283(29) 1.0 Uiso 0.025 2
H H21 0.67(4) -0.485(27) -0.27(4) 1.0 Uiso 0.025 2
C C22 0.39(5) -0.483(25) -0.352(33) 1.0 Uiso 0.025 2
H H22 0.33(4) -0.509(33) -0.365(35) 1.0 Uiso 0.025 2
C C23 0.40(5) -0.415(27) -0.356(35) 1.0 Uiso 0.025 2
H H23 0.35(6) -0.391(34) -0.37(4) 1.0 Uiso 0.025 2
C C24 0.48(6) -0.376(23) -0.34(4) 1.0 Uiso 0.025 2
H H24 0.49(7) -0.326(25) -0.34(4) 1.0 Uiso 0.025 2
C C25 0.56(5) -0.409(21) -0.313(35) 1.0 Uiso 0.025 2
H H25 0.61(6) -0.383(26) -0.30(4) 1.0 Uiso 0.025 2
C C26 0.606(18) -0.704(17) -0.095(17) 1.0 Uiso 0.025 2
C C27 0.667(23) -0.639(18) -0.070(17) 1.0 Uiso 0.025 2
C C28 0.747(22) -0.650(18) -0.037(15) 1.0 Uiso 0.025 2
H H28 0.792(24) -0.611(19) -0.023(20) 1.0 Uiso 0.025 2
C C29 0.770(19) -0.714(18) -0.030(18) 1.0 Uiso 0.025 2
C C30 0.711(18) -0.772(17) -0.053(15) 1.0 Uiso 0.025 2
C C31 0.628(18) -0.765(18) -0.081(15) 1.0 Uiso 0.025 2
H H31 0.586(20) -0.805(24) -0.096(20) 1.0 Uiso 0.025 2
C C32 0.858(21) -0.723(19) -0.004(24) 1.0 Uiso 0.025 2
H H32 0.894(22) -0.689(21) 0.011(20) 1.0 Uiso 0.025 2
C C33 0.886(22) -0.786(20) 0.000(24) 1.0 Uiso 0.025 2
H H33 0.947(24) -0.791(23) 0.019(27) 1.0 Uiso 0.025 2
C C34 0.831(24) -0.842(19) -0.023(24) 1.0 Uiso 0.025 2
H H34 0.850(35) -0.887(23) -0.020(19) 1.0 Uiso 0.025 2
C C35 0.738(22) -0.835(18) -0.051(16) 1.0 Uiso 0.025 2
H H35 0.697(28) -0.875(21) -0.068(29) 1.0 Uiso 0.025 2
C C36 0.644(24) -0.574(18) -0.082(17) 1.0 Uiso 0.025 2
C C37 0.690(28) -0.509(21) -0.067(21) 1.0 Uiso 0.025 2
H H37 0.753(27) -0.504(27) -0.050(27) 1.0 Uiso 0.025 2
C C38 0.647(33) -0.453(20) -0.077(26) 1.0 Uiso 0.025 2
H H38 0.68(4) -0.407(23) -0.065(30) 1.0 Uiso 0.025 2
C C39 0.559(32) -0.459(18) -0.102(23) 1.0 Uiso 0.025 2
H H39 0.53(4) -0.419(22) -0.108(31) 1.0 Uiso 0.025 2
C C40 0.512(26) -0.524(17) -0.118(19) 1.0 Uiso 0.025 2
C C41 0.419(25) -0.539(17) -0.145(20) 1.0 Uiso 0.025 2
C C42 0.393(23) -0.615(17) -0.155(21) 1.0 Uiso 0.025 2
C C43 0.292(25) -0.631(19) -0.180(22) 1.0 Uiso 0.025 2
H H43 0.266(29) -0.678(21) -0.190(29) 1.0 Uiso 0.025 2
C C44 0.238(27) -0.578(20) -0.189(21) 1.0 Uiso 0.025 2
C C45 0.269(28) -0.512(19) -0.176(21) 1.0 Uiso 0.025 2
C C46 0.360(29) -0.490(19) -0.153(22) 1.0 Uiso 0.025 2
H H46 0.38(4) -0.442(21) -0.145(30) 1.0 Uiso 0.025 2
C C47 0.141(28) -0.598(25) -0.211(27) 1.0 Uiso 0.025 2
H H47 0.12(4) -0.646(28) -0.221(30) 1.0 Uiso 0.025 2
C C48 0.085(29) -0.548(30) -0.220(24) 1.0 Uiso 0.025 2
H H48 0.022(31) -0.56(4) -0.235(25) 1.0 Uiso 0.025 2
C C49 0.115(31) -0.481(28) -0.206(27) 1.0 Uiso 0.025 2
H H49 0.07(4) -0.447(31) -0.212(28) 1.0 Uiso 0.025 2
C C50 0.205(32) -0.460(22) -0.184(27) 1.0 Uiso 0.025 2
H H50 0.23(4) -0.411(21) -0.175(29) 1.0 Uiso 0.025 2
C C51 0.340(19) -0.804(16) -0.228(12) 1.0 Uiso 0.025 2
H H51A 0.287(22) -0.785(22) -0.231(15) 1.0 Uiso 0.025 2
H H51B 0.327(27) -0.852(18) -0.231(14) 1.0 Uiso 0.025 2
C C52 0.298(26) -0.733(16) -0.351(16) 1.0 Uiso 0.025 2
C C53 0.230(29) -0.710(22) -0.326(18) 1.0 Uiso 0.025 2
H H53 0.226(30) -0.721(27) -0.283(21) 1.0 Uiso 0.025 2
C C54 0.170(32) -0.675(25) -0.362(21) 1.0 Uiso 0.025 2
H H54 0.12(4) -0.661(31) -0.345(27) 1.0 Uiso 0.025 2
C C55 0.18(4) -0.659(25) -0.422(20) 1.0 Uiso 0.025 2
H H55 0.13(4) -0.635(20) -0.449(18) 1.0 Uiso 0.025 2
C C56 0.25(4) -0.680(25) -0.447(19) 1.0 Uiso 0.025 2
H H56 0.25(5) -0.670(33) -0.490(20) 1.0 Uiso 0.025 2
C C57 0.306(35) -0.716(21) -0.411(16) 1.0 Uiso 0.025 2
H H57 0.35(4) -0.730(31) -0.427(24) 1.0 Uiso 0.025 2
C C58 0.363(21) -0.857(16) -0.353(15) 1.0 Uiso 0.025 2
C C59 0.407(30) -0.863(21) -0.403(20) 1.0 Uiso 0.025 2
H H59 0.452(32) -0.826(25) -0.408(29) 1.0 Uiso 0.025 2
C C60 0.390(29) -0.923(24) -0.442(21) 1.0 Uiso 0.025 2
H H60 0.42(4) -0.927(30) -0.476(24) 1.0 Uiso 0.025 2
C C61 0.325(34) -0.975(19) -0.434(20) 1.0 Uiso 0.025 2
H H61 0.31(4) -1.017(27) -0.461(23) 1.0 Uiso 0.025 2
C C62 0.280(22) -0.970(16) -0.385(19) 1.0 Uiso 0.025 2
H H62 0.235(14) -1.006(17) -0.379(21) 1.0 Uiso 0.025 2
C C63 0.297(25) -0.910(16) -0.346(17) 1.0 Uiso 0.025 2
H H63 0.265(20) -0.906(20) -0.312(16) 1.0 Uiso 0.025 2
C C64 0.327(20) -0.786(19) -0.097(15) 1.0 Uiso 0.025 2
C C65 0.319(22) -0.731(20) -0.058(14) 1.0 Uiso 0.025 2
H H65 0.355(29) -0.687(20) -0.057(17) 1.0 Uiso 0.025 2
C C66 0.252(21) -0.736(21) -0.024(15) 1.0 Uiso 0.025 2
H H66 0.25(4) -0.698(25) 0.004(16) 1.0 Uiso 0.025 2
C C67 0.197(16) -0.798(22) -0.028(16) 1.0 Uiso 0.025 2
H H67 0.163(25) -0.803(27) -0.004(17) 1.0 Uiso 0.025 2
C C68 0.206(23) -0.854(21) -0.065(17) 1.0 Uiso 0.025 2
H H68 0.167(27) -0.897(26) -0.066(18) 1.0 Uiso 0.025 2
C C69 0.270(19) -0.847(20) -0.101(17) 1.0 Uiso 0.025 2
H H69 0.278(24) -0.886(24) -0.127(19) 1.0 Uiso 0.025 2
C C70 0.477(16) -0.844(16) -0.104(13) 1.0 Uiso 0.025 2
C C71 0.502(17) -0.838(18) -0.038(14) 1.0 Uiso 0.025 2
H H71 0.494(28) -0.797(20) -0.016(17) 1.0 Uiso 0.025 2
C C72 0.547(20) -0.888(18) -0.004(18) 1.0 Uiso 0.025 2
H H72 0.568(31) -0.882(30) 0.042(21) 1.0 Uiso 0.025 2
C C73 0.559(20) -0.948(17) -0.036(24) 1.0 Uiso 0.025 2
H H73 0.590(34) -0.983(21) -0.012(30) 1.0 Uiso 0.025 2
C C74 0.528(30) -0.957(19) -0.101(19) 1.0 Uiso 0.025 2
H H74 0.54(4) -0.998(22) -0.123(27) 1.0 Uiso 0.025 2
C C75 0.484(26) -0.906(19) -0.135(14) 1.0 Uiso 0.025 2
H H75 0.463(33) -0.912(25) -0.181(16) 1.0 Uiso 0.025 2
C C76 -0.211(20) -0.218(19) -0.276(15) 1.0 Uiso 0.025 2
C C77 -0.233(24) -0.163(19) -0.234(15) 1.0 Uiso 0.025 2
C C78 -0.299(25) -0.124(17) -0.254(18) 1.0 Uiso 0.025 2
H H78 -0.309(29) -0.088(22) -0.226(20) 1.0 Uiso 0.025 2
C C79 -0.351(22) -0.136(18) -0.316(17) 1.0 Uiso 0.025 2
C C80 -0.333(25) -0.187(18) -0.356(17) 1.0 Uiso 0.025 2
C C81 -0.265(21) -0.227(17) -0.336(16) 1.0 Uiso 0.025 2
H H81 -0.256(21) -0.263(22) -0.364(20) 1.0 Uiso 0.025 2
C C82 -0.425(24) -0.102(22) -0.335(20) 1.0 Uiso 0.025 2
H H82 -0.438(32) -0.068(27) -0.307(23) 1.0 Uiso 0.025 2
C C83 -0.477(26) -0.115(25) -0.395(23) 1.0 Uiso 0.025 2
H H83 -0.526(33) -0.090(31) -0.409(29) 1.0 Uiso 0.025 2
C C84 -0.457(32) -0.164(26) -0.436(20) 1.0 Uiso 0.025 2
H H84 -0.494(35) -0.173(34) -0.479(23) 1.0 Uiso 0.025 2
C C85 -0.387(30) -0.200(25) -0.417(18) 1.0 Uiso 0.025 2
H H85 -0.37(4) -0.234(30) -0.446(20) 1.0 Uiso 0.025 2
C C86 -0.176(18) -0.159(15) -0.169(15) 1.0 Uiso 0.025 2
C C87 -0.182(21) -0.113(15) -0.120(16) 1.0 Uiso 0.025 2
H H87 -0.222(31) -0.078(17) -0.128(21) 1.0 Uiso 0.025 2
C C88 -0.137(18) -0.124(17) -0.057(18) 1.0 Uiso 0.025 2
H H88 -0.142(23) -0.094(21) -0.021(19) 1.0 Uiso 0.025 2
C C89 -0.087(17) -0.177(19) -0.047(16) 1.0 Uiso 0.025 2
H H89 -0.06(4) -0.185(24) -0.003(18) 1.0 Uiso 0.025 2
C C90 -0.084(17) -0.221(14) -0.095(14) 1.0 Uiso 0.025 2
C C91 -0.043(21) -0.288(14) -0.090(14) 1.0 Uiso 0.025 2
C C92 -0.046(21) -0.321(15) -0.155(13) 1.0 Uiso 0.025 2
C C93 -0.007(26) -0.382(18) -0.151(11) 1.0 Uiso 0.025 2
H H93 -0.01(4) -0.409(24) -0.189(13) 1.0 Uiso 0.025 2
C C94 0.031(22) -0.410(15) -0.090(11) 1.0 Uiso 0.025 2
C C95 0.027(25) -0.378(17) -0.033(11) 1.0 Uiso 0.025 2
C C96 -0.004(23) -0.311(18) -0.033(14) 1.0 Uiso 0.025 2
H H96 -0.004(29) -0.287(25) 0.006(16) 1.0 Uiso 0.025 2
C C97 0.068(23) -0.475(16) -0.087(12) 1.0 Uiso 0.025 2
H H97 0.070(34) -0.500(21) -0.126(15) 1.0 Uiso 0.025 2
C C98 0.104(18) -0.500(19) -0.027(15) 1.0 Uiso 0.025 2
H H98 0.129(30) -0.543(24) -0.025(20) 1.0 Uiso 0.025 2
C C99 0.101(22) -0.465(15) 0.028(12) 1.0 Uiso 0.025 2
H H99 0.126(29) -0.484(28) 0.069(16) 1.0 Uiso 0.025 2
C C100 0.067(19) -0.404(15) 0.027(11) 1.0 Uiso 0.025 2
H H100 0.07(4) -0.379(21) 0.066(13) 1.0 Uiso 0.025 2
C C101 0.110(17) -0.058(13) -0.333(14) 1.0 Uiso 0.025 2
C C102 0.094(15) -0.015(12) -0.383(14) 1.0 Uiso 0.025 2
C C103 0.086(17) 0.053(14) -0.372(16) 1.0 Uiso 0.025 2
H H103 0.075(26) 0.084(16) -0.408(19) 1.0 Uiso 0.025 2
C C104 0.102(18) 0.082(16) -0.306(17) 1.0 Uiso 0.025 2
C C105 0.119(18) 0.038(17) -0.257(16) 1.0 Uiso 0.025 2
C C106 0.121(24) -0.033(16) -0.270(15) 1.0 Uiso 0.025 2
H H106 0.135(22) -0.064(17) -0.235(18) 1.0 Uiso 0.025 2
C C107 0.110(32) 0.153(18) -0.293(19) 1.0 Uiso 0.025 2
H H107 0.10(4) 0.184(23) -0.328(23) 1.0 Uiso 0.025 2
C C108 0.130(31) 0.179(20) -0.228(20) 1.0 Uiso 0.025 2
H H108 0.13(4) 0.228(21) -0.219(26) 1.0 Uiso 0.025 2
C C109 0.145(27) 0.133(23) -0.178(18) 1.0 Uiso 0.025 2
H H109 0.158(28) 0.150(29) -0.135(19) 1.0 Uiso 0.025 2
C C110 0.141(33) 0.064(21) -0.192(17) 1.0 Uiso 0.025 2
H H110 0.15(4) 0.033(29) -0.157(21) 1.0 Uiso 0.025 2
C C111 0.087(21) -0.040(15) -0.446(15) 1.0 Uiso 0.025 2
C C112 0.064(22) -0.008(15) -0.502(17) 1.0 Uiso 0.025 2
H H112 0.055(18) 0.040(14) -0.502(22) 1.0 Uiso 0.025 2
C C113 0.071(34) -0.044(21) -0.558(16) 1.0 Uiso 0.025 2
H H113 0.060(25) -0.021(27) -0.598(19) 1.0 Uiso 0.025 2
C C114 0.093(26) -0.112(22) -0.557(16) 1.0 Uiso 0.025 2
H H114 0.09(4) -0.136(27) -0.597(18) 1.0 Uiso 0.025 2
C C115 0.109(24) -0.148(17) -0.499(15) 1.0 Uiso 0.025 2
C C116 0.136(29) -0.217(18) -0.482(19) 1.0 Uiso 0.025 2
C C117 0.144(26) -0.235(16) -0.417(18) 1.0 Uiso 0.025 2
C C118 0.177(27) -0.294(18) -0.395(21) 1.0 Uiso 0.025 2
H H118 0.180(22) -0.306(26) -0.351(23) 1.0 Uiso 0.025 2
C C119 0.187(26) -0.346(18) -0.441(24) 1.0 Uiso 0.025 2
C C120 0.173(25) -0.331(19) -0.507(24) 1.0 Uiso 0.025 2
C C121 0.149(28) -0.265(19) -0.527(20) 1.0 Uiso 0.025 2
H H121 0.14(4) -0.253(30) -0.572(21) 1.0 Uiso 0.025 2
C C122 0.213(29) -0.410(21) -0.420(28) 1.0 Uiso 0.025 2
H H122 0.22(4) -0.420(29) -0.375(30) 1.0 Uiso 0.025 2
C C123 0.218(34) -0.462(21) -0.465(32) 1.0 Uiso 0.025 2
H H123 0.24(4) -0.506(24) -0.45(4) 1.0 Uiso 0.025 2
C C124 0.203(31) -0.447(23) -0.530(31) 1.0 Uiso 0.025 2
H H124 0.20(4) -0.481(26) -0.557(33) 1.0 Uiso 0.025 2
C C125 0.180(28) -0.386(21) -0.552(27) 1.0 Uiso 0.025 2
H H125 0.17(4) -0.378(23) -0.597(27) 1.0 Uiso 0.025 2
C C126 0.051(17) -0.306(13) -0.300(18) 1.0 Uiso 0.025 2
H H12A 0.064(24) -0.320(21) -0.340(26) 1.0 Uiso 0.025 2
H H12B 0.075(24) -0.337(14) -0.268(26) 1.0 Uiso 0.025 2
C C127 -0.118(23) -0.407(15) -0.334(14) 1.0 Uiso 0.025 2
C C128 -0.206(23) -0.421(21) -0.366(18) 1.0 Uiso 0.025 2
H H128 -0.240(27) -0.383(26) -0.377(28) 1.0 Uiso 0.025 2
C C129 -0.246(26) -0.488(23) -0.377(20) 1.0 Uiso 0.025 2
H H129 -0.304(29) -0.498(29) -0.405(29) 1.0 Uiso 0.025 2
C C130 -0.194(31) -0.543(20) -0.364(28) 1.0 Uiso 0.025 2
H H130 -0.22(4) -0.590(21) -0.375(30) 1.0 Uiso 0.025 2
C C131 -0.107(30) -0.529(17) -0.330(25) 1.0 Uiso 0.025 2
H H131 -0.073(35) -0.567(19) -0.318(30) 1.0 Uiso 0.025 2
C C132 -0.069(26) -0.461(15) -0.315(18) 1.0 Uiso 0.025 2
H H132 -0.009(28) -0.451(16) -0.291(17) 1.0 Uiso 0.025 2
C C133 -0.093(21) -0.262(16) -0.380(13) 1.0 Uiso 0.025 2
C C134 -0.092(28) -0.288(18) -0.440(13) 1.0 Uiso 0.025 2
H H134 -0.088(34) -0.337(20) -0.446(16) 1.0 Uiso 0.025 2
C C135 -0.100(31) -0.246(20) -0.492(16) 1.0 Uiso 0.025 2
H H135 -0.10(4) -0.265(22) -0.534(17) 1.0 Uiso 0.025 2
C C136 -0.104(30) -0.176(19) -0.483(14) 1.0 Uiso 0.025 2
H H136 -0.11(4) -0.146(23) -0.519(17) 1.0 Uiso 0.025 2
C C137 -0.101(19) -0.148(14) -0.422(14) 1.0 Uiso 0.025 2
H H137 -0.105(33) -0.100(18) -0.416(21) 1.0 Uiso 0.025 2
C C138 -0.094(25) -0.191(16) -0.370(16) 1.0 Uiso 0.025 2
H H138 -0.091(31) -0.172(17) -0.328(18) 1.0 Uiso 0.025 2
C C139 0.217(19) -0.233(18) -0.225(17) 1.0 Uiso 0.025 2
C C140 0.212(23) -0.279(20) -0.177(17) 1.0 Uiso 0.025 2
H H140 0.156(24) -0.307(18) -0.176(19) 1.0 Uiso 0.025 2
C C141 0.286(25) -0.287(27) -0.130(20) 1.0 Uiso 0.025 2
H H141 0.283(35) -0.322(30) -0.098(15) 1.0 Uiso 0.025 2
C C142 0.365(24) -0.246(31) -0.130(23) 1.0 Uiso 0.025 2
H H142 0.418(27) -0.25(4) -0.098(31) 1.0 Uiso 0.025 2
C C143 0.369(24) -0.196(25) -0.175(29) 1.0 Uiso 0.025 2
H H143 0.424(29) -0.168(33) -0.176(34) 1.0 Uiso 0.025 2
C C144 0.294(24) -0.188(22) -0.222(23) 1.0 Uiso 0.025 2
H H144 0.30(4) -0.154(22) -0.253(29) 1.0 Uiso 0.025 2
C C145 0.067(21) -0.178(14) -0.214(15) 1.0 Uiso 0.025 2
C C146 0.007(19) -0.131(17) -0.229(19) 1.0 Uiso 0.025 2
H H146 -0.021(26) -0.125(25) -0.273(20) 1.0 Uiso 0.025 2
C C147 -0.015(28) -0.092(22) -0.181(23) 1.0 Uiso 0.025 2
H H147 -0.06(4) -0.062(28) -0.191(30) 1.0 Uiso 0.025 2
C C148 0.029(21) -0.098(15) -0.118(21) 1.0 Uiso 0.025 2
H H148 0.01(4) -0.074(26) -0.084(25) 1.0 Uiso 0.025 2
C C149 0.093(17) -0.142(17) -0.104(17) 1.0 Uiso 0.025 2
H H149 0.122(29) -0.147(24) -0.060(16) 1.0 Uiso 0.025 2
C C150 0.114(20) -0.180(17) -0.152(16) 1.0 Uiso 0.025 2
H H150 0.161(33) -0.209(21) -0.142(20) 1.0 Uiso 0.025 2
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
Pt 8.0 0.000 0.000 27.0059 1.51293 17.7639 8.81174 15.7131 0.42459 5.78370
38.6103 11.6883 International_Tables_Vol_C
P 8.0 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
N 8.0 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 300.0 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 208.0 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
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
1.540500 1.000 K\a~1~ 1
1.544300 0.500 K\a~2~ 2
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
? ? ? ? ? ? ? ?
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
? ? ? ? ? ?
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
46.0 0.02174 37.70690 41.53692
55.0 0.01818 37.71555 41.57315
48.0 0.02083 37.72419 41.60995
52.0 0.01923 37.73284 41.64744
50.0 0.02000 37.74148 41.68560
36.0 0.02778 37.75013 41.72435
46.0 0.02174 37.75877 41.76377
38.0 0.02632 37.76742 41.80397
35.0 0.02857 37.77606 41.84491
48.0 0.02083 37.78471 41.88655
66.0 0.01515 37.79335 41.92896
50.0 0.02000 37.80199 41.97223
48.0 0.02083 37.81064 42.01636
45.0 0.02222 37.81929 42.06133
58.0 0.01724 37.82793 42.10718
41.0 0.02439 37.83657 42.15399
44.0 0.02273 37.84522 42.20180
27.0 0.0370 37.85387 42.25062
42.0 0.02381 37.86251 42.30049
40.0 0.02500 37.87115 42.35144
40.0 0.02500 37.87980 42.40354
44.0 0.02273 37.88845 42.45684
44.0 0.02273 37.89709 42.51140
36.0 0.02778 37.90574 42.56723
38.0 0.02632 37.91438 42.62442
40.0 0.02500 37.92303 42.68302
34.0 0.02941 37.93167 42.74310
42.0 0.02381 37.94032 42.80474
40.0 0.02500 37.94896 42.86802
46.0 0.02174 37.95760 42.93299
36.0 0.02778 37.96625 42.99974
48.0 0.02083 37.97490 43.06837
48.0 0.02083 37.98354 43.13896
42.0 0.02381 37.99218 43.21164
38.0 0.02632 38.00083 43.28651
46.0 0.02174 38.00948 43.36370
36.0 0.02778 38.01812 43.44334
41.0 0.02439 38.02676 43.52556
48.0 0.02083 38.03541 43.61051
36.0 0.02778 38.04406 43.69836
44.0 0.02273 38.05270 43.78931
38.0 0.02632 38.06134 43.88353
49.0 0.02041 38.06999 43.98125
46.0 0.02174 38.07864 44.08269
44.0 0.02273 38.08728 44.18813
38.0 0.02632 38.09592 44.29783
49.0 0.02041 38.10457 44.41211
46.0 0.02174 38.11322 44.53133
44.0 0.02273 38.12186 44.65586
37.0 0.02703 38.13050 44.78612
50.0 0.02000 38.13915 44.92260
30.0 0.03333 38.14779 45.06583
44.0 0.02273 38.15644 45.21639
45.0 0.02222 38.16508 45.37498
36.0 0.02778 38.17373 45.54236
40.0 0.02500 38.18237 45.71940
38.0 0.02632 38.19102 45.90710
50.0 0.02000 38.19967 46.10662
42.0 0.02381 38.20831 46.31931
50.0 0.02000 38.21695 46.54671
45.0 0.02222 38.22560 46.79065
41.0 0.02439 38.23425 54.36505
67.0 0.01493 38.24289 54.70749
48.0 0.02083 38.25153 55.07605
50.0 0.02000 38.26018 55.47419
59.0 0.01695 38.26883 55.90619
56.0 0.01786 38.27747 56.37904
50.0 0.02000 38.28611 56.89962
56.0 0.01786 35.85551 55.03872
59.0 0.01695 33.11015 52.93479
48.0 0.02083 30.36479 50.92034
49.0 0.02041 27.61943 49.02245
56.0 0.01786 24.87407 47.28306
58.0 0.01724 22.12871 45.77191
59.0 0.01695 19.38335 60.73631
71.0 0.01408 16.63799 79.65383
59.0 0.01695 13.89256 80.10117
76.0 0.01316 11.14720 81.19321
86.0 0.01163 8.40184 81.98596
74.0 0.01351 5.65648 80.59757
90.0 0.01111 2.91112 75.25266
83.0 0.01205 0.16576 66.25279
49.0 0.02041 -2.57960 56.35328
49.0 0.02041 -5.32496 48.15425
41.0 0.02439 -8.07032 42.43387
31.0 0.03226 -10.81568 38.58612
35.0 0.02857 -13.56104 35.70967
41.0 0.02439 -16.30641 33.21634
25.0 0.0400 -19.05177 30.43206
38.0 0.02632 -21.79713 28.18942
25.0 0.0400 -24.54249 25.96013
30.0 0.03333 -27.28785 23.74281
38.0 0.02632 -30.03321 21.53954
48.0 0.02083 -32.77857 19.35113
30.0 0.03333 -35.52393 17.17674
32.0 0.03125 -38.26929 15.01797
53.0 0.01887 -41.01465 12.87592
30.0 0.03333 -43.76001 10.75027
29.0 0.03448 -46.50537 8.64222
38.0 0.02632 -49.25073 6.55309
44.0 0.02273 -51.99609 17.19801
44.0 0.02273 -54.74152 15.27600
36.0 0.02778 -57.48688 40.57193
46.0 0.02174 -60.23224 60.41221
35.0 0.02857 -62.97760 59.05039
44.0 0.02273 -65.72296 57.72697
48.0 0.02083 -68.46832 56.44639
36.0 0.02778 -71.21368 55.20901
36.0 0.02778 -73.95905 54.01640
38.0 0.02632 -76.70441 52.87328
32.0 0.03125 -79.44977 51.78035
38.0 0.02632 -82.19513 50.74018
49.0 0.02041 -84.94049 49.75751
45.0 0.02222 -87.68585 48.83425
38.0 0.02632 -90.43121 47.97347
40.0 0.02500 -93.17657 47.18060
45.0 0.02222 -95.92193 46.45919
45.0 0.02222 -98.66729 45.81294
44.0 0.02273 -101.41265 45.24794
37.0 0.02703 -104.15801 44.77019
64.0 0.01563 -106.90337 44.38520
49.0 0.02041 -109.64874 44.09984
53.0 0.01887 -112.39410 43.92242
55.0 0.01818 -115.13946 43.86193
37.0 0.02703 -117.88482 43.92806
41.0 0.02439 -120.63018 44.13229
58.0 0.01724 -123.37560 44.48787
52.0 0.01923 -126.12096 45.01044
66.0 0.01515 -128.86633 45.71796
59.0 0.01695 -131.61169 46.63195
53.0 0.01887 -134.35704 47.77835
59.0 0.01695 -137.10240 58.46527
66.0 0.01515 -139.84776 60.27876
81.0 0.01235 -142.59312 62.45344
85.0 0.01176 -145.33849 65.06012
66.0 0.01515 -145.96791 70.32316
79.0 0.01266 -145.97038 76.91895
96.0 0.01042 -145.97285 84.50371
71.0 0.01408 -145.97533 93.51768
66.0 0.01515 -145.97780 104.41003
104.0 0.00962 -145.98029 117.01383
83.0 0.01205 -145.98276 129.51266
90.0 0.01111 -145.98523 138.18535
92.0 0.01087 -145.98770 139.42490
110.0 0.00909 -145.99017 133.60634
128.0 0.00781 -145.99265 126.10764
144.0 0.00694 -145.99512 122.59670
110.0 0.00909 -145.99759 125.31874
154.0 0.00649 -146.00006 133.63449
164.0 0.00610 -146.00253 146.25006
174.0 0.00575 -146.00500 162.78952
188.0 0.00532 -146.00749 184.24936
207.0 0.00483 -146.00996 211.90999
237.0 0.00422 -146.01244 248.66350
279.0 0.00358 -146.01491 289.86810
276.0 0.00362 -146.01738 322.29834
266.0 0.00376 -146.01985 325.85178
240.0 0.00417 -146.02232 288.18423
188.0 0.00532 -146.02480 221.53726
169.0 0.00592 -146.02727 155.64078
137.0 0.00730 -146.02974 112.03558
139.0 0.00719 -146.03223 94.24003
149.0 0.00671 -146.03470 95.26286
146.0 0.00685 -146.03717 107.61380
146.0 0.00685 -146.03964 127.20797
144.0 0.00694 -146.04211 149.82568
135.0 0.00741 -146.04459 173.35977
169.0 0.00592 -146.04706 195.02289
196.0 0.00510 -146.04953 210.84631
246.0 0.00407 -146.05200 226.79796
286.0 0.003497 -146.05447 248.52409
376.0 0.002660 -146.05696 300.86969
392.0 0.002551 -146.05943 451.20169
357.0 0.002801 -146.06190 395.92178
317.0 0.003155 -146.06438 305.18524
222.0 0.00450 -146.06685 214.07365
169.0 0.00592 -146.06932 149.13278
146.0 0.00685 -146.07179 113.58141
98.0 0.01020 -146.07426 100.36312
102.0 0.00980 -146.07674 93.20918
92.0 0.01087 -146.07921 92.17220
81.0 0.01235 -146.08168 95.97400
96.0 0.01042 -146.08417 99.94209
114.0 0.00877 -146.08664 104.09044
94.0 0.01064 -146.08911 108.42561
90.0 0.01111 -146.09158 112.97567
92.0 0.01087 -146.09406 117.76956
119.0 0.00840 -146.09653 122.83084
132.0 0.00758 -146.09900 129.31526
117.0 0.00855 -146.10147 135.06081
119.0 0.00840 -146.10394 141.24004
139.0 0.00719 -146.10641 147.95174
146.0 0.00685 -146.10890 155.36053
161.0 0.00621 -146.11137 163.75069
169.0 0.00592 -146.11385 173.59106
196.0 0.00510 -146.11632 185.46159
196.0 0.00510 -146.11879 199.45996
219.0 0.00457 -146.12126 213.94064
219.0 0.00457 -146.12373 224.70461
213.0 0.00469 -146.12621 226.70578
225.0 0.00444 -146.12868 218.70567
237.0 0.00422 -146.13115 206.38782
282.0 0.00355 -144.84872 198.53026
306.0 0.003268 -142.89583 197.92439
320.0 0.003125 -140.94304 268.53311
400.0 0.002500 -138.99014 288.65891
420.0 0.002381 -137.03735 300.27072
412.0 0.002427 -135.08447 312.96609
357.0 0.002801 -133.13167 325.61133
306.0 0.003268 -131.17879 340.21625
317.0 0.003155 -129.22598 355.75143
317.0 0.003155 -127.27310 372.35638
313.0 0.003195 -125.32030 390.18399
328.0 0.003049 -123.36742 409.40964
361.0 0.002770 -121.41462 430.27573
404.0 0.002475 -119.46173 453.06445
441.0 0.002268 -117.50894 478.13821
433.0 0.002309 -115.55605 505.98486
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55.0 0.01818 22.24092 55.17413
59.0 0.01695 22.18252 57.75214
69.0 0.01449 22.12412 65.21979
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42.0 0.02381 21.59850 44.13261
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56.0 0.01786 23.20135 54.89509
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62.0 0.01613 26.27623 58.46535
72.0 0.01389 26.44706 70.15186
61.0 0.01639 26.61789 61.07829
44.0 0.02273 26.78872 47.76950
58.0 0.01724 26.95955 53.49987
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53.0 0.01887 27.30118 53.72632
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56.0 0.01786 27.64284 55.69891
56.0 0.01786 27.81367 55.81767
52.0 0.01923 27.98450 53.80721
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67.0 0.01493 28.49700 66.79556
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59.0 0.01695 30.20524 60.48339
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53.0 0.01887 32.25517 55.97542
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66.0 0.01515 32.57415 59.19071
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58.0 0.01724 32.74718 55.59977
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50.0 0.02000 32.77380 48.53975
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41.0 0.02439 32.80042 41.12659
38.0 0.02632 32.81373 39.04415
67.0 0.01493 32.82704 60.73398
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66.0 0.01515 32.85366 67.47959
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53.0 0.01887 32.94683 52.05314
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45.0 0.02222 32.98676 49.48018
64.0 0.01563 33.00008 55.44315
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56.0 0.01786 33.02670 56.48243
55.0 0.01818 33.04000 56.10179
61.0 0.01639 33.05331 59.82649
55.0 0.01818 33.06662 55.32534
55.0 0.01818 33.07993 55.15607
53.0 0.01887 33.09325 55.33568
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62.0 0.01613 33.11987 60.86649
59.0 0.01695 33.13317 57.53941
49.0 0.02041 33.14648 50.89507
53.0 0.01887 33.15979 53.18577
64.0 0.01563 33.17311 59.24347
53.0 0.01887 33.18642 54.74584
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56.0 0.01786 33.21304 55.84531
67.0 0.01493 33.22635 63.22471
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59.0 0.01695 33.25297 62.39238
66.0 0.01515 33.26628 60.34130
62.0 0.01613 33.27959 60.56372
59.0 0.01695 33.29290 58.42733
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66.0 0.01515 33.33283 61.41006
56.0 0.01786 33.34614 56.90666
55.0 0.01818 33.35945 59.96785
56.0 0.01786 33.37276 61.44990
72.0 0.01389 33.38607 63.20707
52.0 0.01923 33.39938 54.45474
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62.0 0.01613 33.43931 59.10429
59.0 0.01695 33.44730 60.69133
67.0 0.01493 33.41401 65.38954
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59.0 0.01695 33.34743 59.47449
61.0 0.01639 33.31414 61.90467
66.0 0.01515 33.28085 63.45190
41.0 0.02439 33.24756 48.49350
64.0 0.01563 33.21427 55.78234
62.0 0.01613 33.18098 58.76540
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67.0 0.01493 33.11440 63.29254
61.0 0.01639 33.08112 59.89256
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66.0 0.01515 32.98125 65.05944
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59.0 0.01695 32.81480 59.64227
56.0 0.01786 32.78151 55.52988
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55.0 0.01818 32.71493 55.63227
64.0 0.01563 32.68164 62.48356
56.0 0.01786 32.64835 55.04271
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49.0 0.02041 32.58177 51.12242
58.0 0.01724 32.54849 56.31514
58.0 0.01724 32.51520 57.99891
62.0 0.01613 32.48191 61.28708
62.0 0.01613 32.44862 61.18066
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56.0 0.01786 32.38203 56.65133
59.0 0.01695 32.34875 58.80007
61.0 0.01639 32.31546 56.21613
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53.0 0.01887 32.24888 58.37721
66.0 0.01515 32.21559 58.42179
56.0 0.01786 32.18230 56.13795
40.0 0.02500 32.14901 41.45093
55.0 0.01818 32.11572 54.06062
66.0 0.01515 32.08243 64.47679
52.0 0.01923 32.04914 53.31520
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50.0 0.02000 31.98256 47.59104
41.0 0.02439 31.94928 42.68249
56.0 0.01786 31.91599 54.16249
61.0 0.01639 31.88269 60.70967
59.0 0.01695 31.84941 58.16275
48.0 0.02083 31.81611 48.39341
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41.0 0.02439 31.71625 43.52682
48.0 0.02083 31.68296 50.17533
56.0 0.01786 31.64967 53.31931
62.0 0.01613 31.61638 63.10723
56.0 0.01786 31.58309 55.88259
58.0 0.01724 31.54980 51.32507
46.0 0.02174 31.51651 50.32088
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58.0 0.01724 31.44993 57.02065
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44.0 0.02273 31.38335 47.99368
61.0 0.01639 31.35006 54.03448
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45.0 0.02222 31.28348 48.19966
49.0 0.02041 31.25019 49.10284
48.0 0.02083 31.21690 47.92863
46.0 . . .
