#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:19:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178503 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/50/4065022.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_4065022
loop_
_publ_author_name
'Vaughan, Teresa F.'
'Koedyk, David J.'
'Spencer, John L.'
_publ_section_title
;
 Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes
 with Iminophosphine and Phosphinocarbonyl Ligands
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5170
_journal_paper_doi               10.1021/om2005113
_journal_volume                  30
_journal_year                    2011
_chemical_absolute_configuration unk
_chemical_formula_moiety
'0.5(C62 H63 N2 P2 Pt0.99882), 0.5(C62 H62 N2 P2 Pt0.96128), C7'
_chemical_formula_sum            'C62 H64 N2 P2 Pt'
_chemical_formula_weight         1094.18
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2010-12-13
_audit_creation_method
;
  Olex2 1.1
  (compiled 2010.09.30 svn.r1450, GUI svn.r3284)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.833(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3764(5)
_cell_length_b                   34.9788(12)
_cell_length_c                   13.1827(5)
_cell_measurement_reflns_used    9752
_cell_measurement_temperature    118(2)
_cell_measurement_theta_max      28.47
_cell_measurement_theta_min      2.05
_cell_volume                     6014.0(4)
_computing_data_reduction        'SAINT v7.53A (Bruker, 2008)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      118.0
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.0639
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            161272
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.56
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    2.422
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5471
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
 SADABS-2008/1 (Bruker,2008) was used for absorption correction.
 R(int) was 0.1224 before and 0.0642 after correction.
 The Ratio of minimum to maximum transmission is 0.733378016086.
 The λ/2 correction factor is Not present
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.112
_refine_diff_density_min         -1.703
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -10(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1371
_refine_ls_number_reflns         35192
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.352
_refine_ls_shift/su_mean         0.024
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0248P)²+6.3785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                28898
_reflns_number_total             35192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2005113_si_002.cif
_cod_data_source_block           tfvda
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_database_code               4065022
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.530057(17) 0.342153(5) 0.277712(19) 0.02175(10) Uani 0.8654(15) 1 d P
Pt1A Pt 0.963842(17) 0.129237(5) 0.726048(19) 0.02235(10) Uani 0.8735(15) 1 d P
Pt2A Pt 0.87291(13) 0.12951(8) 0.79149(14) 0.0253(6) Uani 0.1253(10) 1 d P
P1A P 0.82480(14) 0.09654(5) 0.62735(16) 0.0255(4) Uani 1 1 d .
P1 P 0.66668(15) 0.37515(6) 0.37663(17) 0.0314(5) Uani 1 1 d .
P2 P 0.57364(13) 0.28209(6) 0.22953(15) 0.0256(4) Uani 1 1 d .
Pt2 Pt 0.62296(17) 0.34295(11) 0.2086(2) 0.0250(9) Uani 0.0959(10) 1 d P
P2A P 0.91986(15) 0.18916(6) 0.77532(17) 0.0310(5) Uani 1 1 d .
N2 N 0.6187(4) 0.3432(3) -0.0421(5) 0.0374(15) Uani 1 1 d .
N2A N 0.8762(5) 0.1327(3) 1.0446(5) 0.0394(15) Uani 1 1 d .
N1A N 1.1299(5) 0.0780(2) 0.6719(6) 0.049(2) Uani 1 1 d .
N1 N 0.3570(4) 0.39320(18) 0.3206(5) 0.0292(13) Uani 1 1 d .
C21A C 1.2035(4) 0.1339(2) 0.6007(5) 0.0297(14) Uani 1 1 d .
C44 C 0.5017(5) 0.2706(2) 0.0987(6) 0.0304(18) Uani 1 1 d .
C25 C 0.2904(6) 0.3416(3) 0.4057(8) 0.057(2) Uani 1 1 d .
C14A C 0.6928(5) 0.09450(19) 0.6365(6) 0.0266(15) Uani 1 1 d .
C49 C 0.5115(5) 0.2953(2) 0.0158(6) 0.0308(17) Uani 1 1 d .
C38 C 0.5275(6) 0.2458(2) 0.3081(7) 0.0284(17) Uani 1 1 d .
C37 C 0.7283(6) 0.2399(3) 0.1589(7) 0.041(2) Uani 1 1 d .
H5A H 0.6747 0.2296 0.1093 0.049 Uiso 1 1 calc R
C2 C 0.5135(7) 0.4270(3) 0.3253(8) 0.042(2) Uani 1 1 d .
C8 C 0.8060(7) 0.3756(3) 0.3741(7) 0.039(2) Uani 1 1 d .
C32A C 0.9642(6) 0.2240(2) 0.6957(7) 0.034(2) Uani 1 1 d .
C44A C 0.9936(5) 0.2004(2) 0.9050(5) 0.0321(19) Uani 1 1 d .
C13 C 0.8843(6) 0.3757(3) 0.4638(7) 0.045(2) Uani 1 1 d .
H0B H 0.8706 0.3759 0.5300 0.054 Uiso 1 1 calc R
C45A C 1.0619(5) 0.2300(3) 0.9215(6) 0.038(2) Uani 1 1 d .
H1B H 1.0685 0.2458 0.8667 0.045 Uiso 1 1 calc R
C45 C 0.4285(6) 0.2405(2) 0.0750(7) 0.044(2) Uani 1 1 d .
H2B H 0.4212 0.2243 0.1289 0.053 Uiso 1 1 calc R
C21 C 0.2330(6) 0.3492(3) 0.2226(7) 0.057(3) Uani 1 1 d .
C2A C 0.9777(6) 0.04437(19) 0.6771(7) 0.0324(19) Uani 1 1 d .
C39A C 0.7714(6) 0.2307(2) 0.8510(6) 0.0339(17) Uani 1 1 d .
H5B H 0.8247 0.2383 0.9054 0.041 Uiso 1 1 calc R
C1A C 1.0435(6) 0.08117(18) 0.6938(6) 0.0324(17) Uani 1 1 d .
C37A C 0.9115(6) 0.2592(2) 0.6654(7) 0.042(2) Uani 1 1 d .
H7B H 0.8509 0.2645 0.6862 0.050 Uiso 1 1 calc R
C3A C 0.8692(6) 0.0470(2) 0.6471(6) 0.0324(18) Uani 1 1 d .
C1 C 0.4562(5) 0.3909(2) 0.3159(6) 0.043(2) Uani 1 1 d .
C51 C 0.6844(6) 0.3744(3) -0.0195(6) 0.040(2) Uani 1 1 d .
C32 C 0.7053(6) 0.26662(19) 0.2299(6) 0.0311(18) Uani 1 1 d .
C14 C 0.6685(7) 0.3646(3) 0.5107(7) 0.043(2) Uani 1 1 d .
C15A C 0.6144(6) 0.0953(2) 0.5542(7) 0.044(2) Uani 1 1 d .
H3C H 0.6295 0.0956 0.4886 0.053 Uiso 1 1 calc R
C3 C 0.6214(6) 0.4235(2) 0.3548(6) 0.0340(18) Uani 1 1 d .
C8A C 0.8289(6) 0.1060(3) 0.4954(6) 0.0324(19) Uani 1 1 d .
C38A C 0.7894(5) 0.2061(2) 0.7770(5) 0.0336(18) Uani 1 1 d .
C20 C 0.2958(5) 0.3598(2) 0.3191(6) 0.038(2) Uani 1 1 d .
C25A C 1.2599(5) 0.1196(2) 0.7866(6) 0.0332(17) Uani 1 1 d .
C36 C 0.8242(5) 0.22867(19) 0.1595(6) 0.0319(17) Uani 1 1 d .
H9C H 0.8360 0.2130 0.1063 0.038 Uiso 1 1 calc R
C33A C 1.0573(6) 0.2185(3) 0.6661(7) 0.050(2) Uani 1 1 d .
H0D H 1.0922 0.1955 0.6825 0.060 Uiso 1 1 calc R
C50 C 0.5891(6) 0.3266(2) 0.0387(7) 0.051(2) Uani 1 1 d .
C49A C 0.9803(6) 0.1777(2) 0.9852(7) 0.0340(19) Uani 1 1 d .
C43 C 0.4322(6) 0.25159(19) 0.3333(7) 0.045(2) Uani 1 1 d .
H3D H 0.3932 0.2732 0.3098 0.054 Uiso 1 1 calc R
C26 C 0.3590(6) 0.3506(3) 0.5117(7) 0.049(3) Uani 1 1 d .
H4D H 0.4275 0.3566 0.5010 0.059 Uiso 1 1 calc R
C39 C 0.5855(7) 0.2146(3) 0.3431(7) 0.044(2) Uani 1 1 d .
H5D H 0.6506 0.2119 0.3298 0.053 Uiso 1 1 calc R
C52A C 0.7090(6) 0.0984(3) 1.0414(7) 0.047(2) Uani 1 1 d .
C47 C 0.3786(6) 0.2582(3) -0.1008(7) 0.051(3) Uani 1 1 d .
H7D H 0.3372 0.2548 -0.1669 0.061 Uiso 1 1 calc R
C48 C 0.4508(7) 0.2877(3) -0.0819(7) 0.046(2) Uani 1 1 d .
H8D H 0.4585 0.3030 -0.1374 0.055 Uiso 1 1 calc R
C52 C 0.7835(6) 0.3702(2) -0.0324(7) 0.044(2) Uani 1 1 d .
C60 C 0.8335(6) 0.3316(3) -0.0527(7) 0.043(2) Uani 1 1 d .
H0E H 0.7771 0.3151 -0.0878 0.052 Uiso 1 1 calc R
C51A C 0.8153(7) 0.0972(2) 1.0317(7) 0.0387(19) Uani 1 1 d .
C50A C 0.9067(4) 0.14448(19) 0.9732(5) 0.0249(14) Uani 1 1 d .
C29A C 1.1383(6) 0.1216(3) 0.5011(7) 0.052(3) Uani 1 1 d .
H3E H 1.0706 0.1155 0.5135 0.062 Uiso 1 1 calc R
C20A C 1.1984(6) 0.1106(2) 0.6917(7) 0.040(2) Uani 1 1 d .
C35 C 0.9040(6) 0.2396(3) 0.2360(8) 0.055(3) Uani 1 1 d .
H5E H 0.9691 0.2295 0.2405 0.066 Uiso 1 1 calc R
C60A C 0.6673(6) 0.1367(3) 1.0627(7) 0.046(2) Uani 1 1 d .
H6E H 0.7242 0.1534 1.0952 0.055 Uiso 1 1 calc R
C46 C 0.3692(5) 0.2339(2) -0.0199(6) 0.0354(18) Uani 1 1 d .
H7E H 0.3231 0.2136 -0.0312 0.042 Uiso 1 1 calc R
C24 C 0.2219(6) 0.3070(3) 0.3910(9) 0.054(3) Uani 1 1 d .
H8E H 0.2199 0.2922 0.4492 0.064 Uiso 1 1 calc R
C22A C 1.2685(6) 0.1618(3) 0.6083(7) 0.047(2) Uani 1 1 d .
H9E H 1.2732 0.1760 0.5499 0.056 Uiso 1 1 calc R
C40A C 0.6668(6) 0.2451(3) 0.8441(7) 0.047(2) Uani 1 1 d .
H0F H 0.6536 0.2634 0.8906 0.057 Uiso 1 1 calc R
C24A C 1.3216(6) 0.1516(3) 0.7862(8) 0.048(2) Uani 1 1 d .
H2M H 1.3589 0.1603 0.8501 0.057 Uiso 1 1 calc R
C34A C 1.0986(6) 0.2461(3) 0.6134(8) 0.054(3) Uani 1 1 d .
H3FA H 1.1134 0.2342 0.5519 0.065 Uiso 1 1 calc R
H3FB H 1.1637 0.2538 0.6572 0.065 Uiso 1 1 calc R
C35A C 1.0406(8) 0.2801(3) 0.5808(8) 0.067(3) Uani 1 1 d .
H4F H 1.0660 0.2985 0.5423 0.080 Uiso 1 1 calc R
C41 C 0.4492(6) 0.1921(2) 0.4227(7) 0.046(2) Uani 1 1 d .
H5F H 0.4225 0.1730 0.4580 0.056 Uiso 1 1 calc R
C61A C 0.6097(8) 0.1549(3) 0.9549(9) 0.069(3) Uani 1 1 d .
H6FB H 0.6507 0.1516 0.9044 0.103 Uiso 1 1 calc R
H6FC H 0.5987 0.1817 0.9642 0.103 Uiso 1 1 calc R
H6FA H 0.5448 0.1424 0.9311 0.103 Uiso 1 1 calc R
C33 C 0.8812(7) 0.3122(3) 0.0399(8) 0.055(3) Uani 1 1 d .
H7FC H 0.9382 0.3270 0.0767 0.083 Uiso 1 1 calc R
H7FB H 0.9049 0.2877 0.0228 0.083 Uiso 1 1 calc R
H7FA H 0.8326 0.3089 0.0830 0.083 Uiso 1 1 calc R
C26A C 1.2482(6) 0.0990(3) 0.8737(7) 0.047(2) Uani 1 1 d .
H8F H 1.1804 0.0869 0.8604 0.056 Uiso 1 1 calc R
C23A C 1.3311(7) 0.1701(3) 0.7048(10) 0.064(3) Uani 1 1 d .
H9F H 1.3802 0.1893 0.7105 0.077 Uiso 1 1 calc R
C40 C 0.5469(7) 0.1870(3) 0.3984(8) 0.064(3) Uani 1 1 d .
H0G H 0.5848 0.1650 0.4199 0.077 Uiso 1 1 calc R
C56 C 0.6389(8) 0.4085(3) -0.0036(8) 0.053(3) Uani 1 1 d .
C4 C 0.6818(7) 0.4564(3) 0.3609(7) 0.056(2) Uani 1 1 d .
H2G H 0.7530 0.4550 0.3765 0.067 Uiso 1 1 calc R
C4A C 0.8050(7) 0.0151(2) 0.6305(7) 0.046(2) Uani 1 1 d .
H3G H 0.7345 0.0179 0.6080 0.055 Uiso 1 1 calc R
C22 C 0.1639(6) 0.3191(3) 0.2075(9) 0.055(3) Uani 1 1 d .
H4G H 0.1209 0.3143 0.1430 0.066 Uiso 1 1 calc R
C29 C 0.2360(7) 0.3757(3) 0.1216(8) 0.057(3) Uani 1 1 d .
H5G H 0.3048 0.3870 0.1374 0.068 Uiso 1 1 calc R
C42 C 0.3964(7) 0.2239(3) 0.3952(8) 0.057(3) Uani 1 1 d .
H6G H 0.3356 0.2281 0.4167 0.068 Uiso 1 1 calc R
C11 C 1.0088(9) 0.3779(3) 0.3545(13) 0.086(5) Uani 1 1 d .
H8G H 1.0765 0.3782 0.3475 0.103 Uiso 1 1 calc R
C9A C 0.8324(7) 0.0754(3) 0.4254(6) 0.050(2) Uani 1 1 d .
H9G H 0.8283 0.0494 0.4381 0.060 Uiso 1 1 calc R
C23 C 0.1625(6) 0.2958(3) 0.2977(7) 0.046(2) Uani 1 1 d .
H0H H 0.1224 0.2739 0.2923 0.055 Uiso 1 1 calc R
C56A C 0.8574(7) 0.0616(3) 1.0103(8) 0.055(3) Uani 1 1 d .
C18 C 0.6547(6) 0.3209(3) 0.6402(7) 0.048(2) Uani 1 1 d .
H2H H 0.6565 0.2953 0.6595 0.057 Uiso 1 1 calc R
C36A C 0.9500(7) 0.2853(2) 0.6057(8) 0.053(3) Uani 1 1 d .
H3H H 0.9120 0.3070 0.5821 0.063 Uiso 1 1 calc R
C34 C 0.8858(5) 0.2671(2) 0.3095(6) 0.0356(16) Uani 1 1 d .
H4H H 0.9401 0.2769 0.3593 0.043 Uiso 1 1 calc R
C5A C 0.8499(8) -0.0219(2) 0.6490(9) 0.056(2) Uani 1 1 d .
H5H H 0.8102 -0.0439 0.6392 0.067 Uiso 1 1 calc R
C17A C 0.4865(6) 0.0960(2) 0.6533(8) 0.046(2) Uani 1 1 d .
H6H H 0.4188 0.0973 0.6598 0.056 Uiso 1 1 calc R
C18A C 0.5673(6) 0.0942(3) 0.7420(7) 0.052(2) Uani 1 1 d .
H7H H 0.5555 0.0925 0.8088 0.063 Uiso 1 1 calc R
C53 C 0.8459(8) 0.4044(3) -0.0201(10) 0.069(3) Uani 1 1 d .
H8H H 0.9146 0.4030 -0.0231 0.083 Uiso 1 1 calc R
C15 C 0.6634(8) 0.3898(3) 0.5820(8) 0.066(3) Uani 1 1 d .
H9H H 0.6676 0.4149 0.5602 0.079 Uiso 1 1 calc R
C62A C 0.5915(6) 0.1344(4) 1.1320(8) 0.083(4) Uani 1 1 d .
H0IB H 0.5763 0.1597 1.1523 0.125 Uiso 1 1 calc R
H0IC H 0.6205 0.1197 1.1928 0.125 Uiso 1 1 calc R
H0IA H 0.5296 0.1224 1.0949 0.125 Uiso 1 1 calc R
C12 C 0.9858(6) 0.3753(3) 0.4488(7) 0.054(2) Uani 1 1 d .
H1I H 1.0394 0.3731 0.5070 0.065 Uiso 1 1 calc R
C19A C 0.6628(8) 0.0949(3) 0.7248(9) 0.068(3) Uani 1 1 d .
H2I H 0.7154 0.0959 0.7842 0.082 Uiso 1 1 calc R
C10 C 0.9312(11) 0.3800(3) 0.2719(11) 0.093(5) Uani 1 1 d .
H3I H 0.9482 0.3826 0.2075 0.111 Uiso 1 1 calc R
C11A C 0.8471(6) 0.1208(3) 0.2944(6) 0.050(2) Uani 1 1 d .
H4IB H 0.8511 0.1243 0.2255 0.060 Uiso 1 1 calc R
C5 C 0.6323(9) 0.4904(3) 0.3430(10) 0.074(3) Uani 1 1 d .
H5I H 0.6727 0.5122 0.3458 0.089 Uiso 1 1 calc R
C16A C 0.5089(8) 0.0959(3) 0.5592(11) 0.094(5) Uani 1 1 d .
H6I H 0.4573 0.0961 0.4990 0.113 Uiso 1 1 calc R
C61 C 0.9070(7) 0.3346(3) -0.1264(8) 0.064(3) Uani 1 1 d .
H7IC H 0.9635 0.3509 -0.0961 0.096 Uiso 1 1 calc R
H7IB H 0.8713 0.3452 -0.1917 0.096 Uiso 1 1 calc R
H7IA H 0.9322 0.3096 -0.1378 0.096 Uiso 1 1 calc R
C9 C 0.8256(6) 0.3789(3) 0.2715(7) 0.054(3) Uani 1 1 d .
H8I H 0.7742 0.3801 0.2112 0.065 Uiso 1 1 calc R
C7A C 1.0276(6) 0.0088(2) 0.6994(7) 0.0424(18) Uani 1 1 d .
H9I H 1.0984 0.0071 0.7223 0.051 Uiso 1 1 calc R
C53A C 0.6532(8) 0.0672(3) 1.0281(9) 0.063(3) Uani 1 1 d .
H0J H 0.5867 0.0682 1.0386 0.076 Uiso 1 1 calc R
C17 C 0.6467(7) 0.3400(4) 0.7042(9) 0.086(4) Uani 1 1 d .
H1J H 0.6368 0.3308 0.7675 0.103 Uiso 1 1 calc R
C16 C 0.6535(7) 0.3868(3) 0.6793(7) 0.055(2) Uani 1 1 d .
H2J H 0.6509 0.4068 0.7251 0.065 Uiso 1 1 calc R
C6A C 0.9665(8) -0.0235(3) 0.6856(9) 0.064(3) Uani 1 1 d .
H3J H 0.9978 -0.0473 0.6993 0.077 Uiso 1 1 calc R
C57A C 0.9719(10) 0.0594(3) 1.0099(10) 0.075(4) Uani 1 1 d .
H4J H 0.9862 0.0811 0.9683 0.090 Uiso 1 1 calc R
C57 C 0.5237(8) 0.4123(3) -0.0005(9) 0.072(4) Uani 1 1 d .
H5J H 0.5054 0.3903 0.0380 0.087 Uiso 1 1 calc R
C10A C 0.8443(11) 0.0946(5) 0.3246(10) 0.106(5) Uani 1 1 d .
H4IA H 0.8510 0.0761 0.2758 0.127 Uiso 1 1 calc R
C55A C 0.7977(9) 0.0288(3) 1.0023(10) 0.074(3) Uani 1 1 d .
H7J H 0.8254 0.0046 0.9984 0.089 Uiso 1 1 calc R
C27A C 1.3367(10) 0.0666(4) 0.8942(10) 0.086(4) Uani 1 1 d .
H8JA H 1.3296 0.0507 0.8337 0.129 Uiso 1 1 calc R
H8JB H 1.3304 0.0513 0.9528 0.129 Uiso 1 1 calc R
H8JC H 1.4028 0.0787 0.9083 0.129 Uiso 1 1 calc R
C28A C 1.2689(7) 0.1206(4) 0.9796(7) 0.078(3) Uani 1 1 d .
H9JC H 1.3413 0.1246 1.0039 0.117 Uiso 1 1 calc R
H9JB H 1.2435 0.1058 1.0298 0.117 Uiso 1 1 calc R
H9JA H 1.2346 0.1449 0.9705 0.117 Uiso 1 1 calc R
C55 C 0.7046(11) 0.4393(3) 0.0112(12) 0.094(4) Uani 1 1 d .
H0K H 0.6805 0.4620 0.0334 0.113 Uiso 1 1 calc R
C7 C 0.4722(9) 0.4635(3) 0.3164(10) 0.078(4) Uani 1 1 d .
H1K H 0.4017 0.4668 0.3061 0.094 Uiso 1 1 calc R
C30 C 0.2359(10) 0.3501(4) 0.0319(8) 0.109(5) Uani 1 1 d .
H2KB H 0.2943 0.3334 0.0481 0.163 Uiso 1 1 calc R
H2KC H 0.2390 0.3652 -0.0281 0.163 Uiso 1 1 calc R
H2KA H 0.1743 0.3351 0.0179 0.163 Uiso 1 1 calc R
C31 C 0.1682(9) 0.4080(4) 0.1077(9) 0.079(4) Uani 1 1 d .
H3KA H 0.0997 0.3995 0.1065 0.118 Uiso 1 1 calc R
H3KB H 0.1696 0.4204 0.0432 0.118 Uiso 1 1 calc R
H3KC H 0.1898 0.4256 0.1642 0.118 Uiso 1 1 calc R
C30A C 1.1238(9) 0.1531(4) 0.4170(10) 0.087(4) Uani 1 1 d .
H4KC H 1.1896 0.1625 0.4110 0.131 Uiso 1 1 calc R
H4KB H 1.0842 0.1736 0.4362 0.131 Uiso 1 1 calc R
H4KA H 1.0885 0.1426 0.3515 0.131 Uiso 1 1 calc R
C6 C 0.5366(10) 0.4952(3) 0.3230(13) 0.091(4) Uani 1 1 d .
H5K H 0.5091 0.5197 0.3126 0.110 Uiso 1 1 calc R
C28 C 0.3699(7) 0.3180(4) 0.5884(7) 0.071(3) Uani 1 1 d .
H6KB H 0.3077 0.3154 0.6127 0.106 Uiso 1 1 calc R
H6KC H 0.4259 0.3231 0.6463 0.106 Uiso 1 1 calc R
H6KA H 0.3832 0.2947 0.5550 0.106 Uiso 1 1 calc R
C31A C 1.1791(9) 0.0858(3) 0.4569(9) 0.071(3) Uani 1 1 d .
H1FA H 1.1346 0.0794 0.3915 0.107 Uiso 1 1 calc R
H1FB H 1.1813 0.0650 0.5047 0.107 Uiso 1 1 calc R
H1FC H 1.2468 0.0907 0.4469 0.107 Uiso 1 1 calc R
C27 C 0.3156(9) 0.3871(4) 0.5504(10) 0.099(5) Uani 1 1 d .
H7GB H 0.3160 0.4074 0.5015 0.148 Uiso 1 1 calc R
H7GC H 0.3572 0.3942 0.6168 0.148 Uiso 1 1 calc R
H7GA H 0.2466 0.3826 0.5571 0.148 Uiso 1 1 calc R
C54 C 0.8027(9) 0.4392(2) -0.0039(10) 0.079(3) Uani 1 1 d .
H7K H 0.8391 0.4619 -0.0033 0.095 Uiso 1 1 calc R
C58A C 1.0329(10) 0.0646(4) 1.1097(11) 0.098(5) Uani 1 1 d .
H8KA H 1.0055 0.0850 1.1438 0.148 Uiso 1 1 calc R
H8KC H 1.1015 0.0707 1.1048 0.148 Uiso 1 1 calc R
H8KB H 1.0334 0.0415 1.1491 0.148 Uiso 1 1 calc R
C54A C 0.6882(10) 0.0344(4) 1.0001(13) 0.112(5) Uani 1 1 d .
H9K H 0.6426 0.0144 0.9786 0.134 Uiso 1 1 calc R
C59 C 0.4551(10) 0.4101(5) -0.1195(13) 0.131(6) Uani 1 1 d .
H0LC H 0.4768 0.4298 -0.1606 0.197 Uiso 1 1 calc R
H0LB H 0.3841 0.4137 -0.1191 0.197 Uiso 1 1 calc R
H0LA H 0.4643 0.3856 -0.1489 0.197 Uiso 1 1 calc R
C59A C 0.9993(12) 0.0243(4) 0.9581(13) 0.121(7) Uani 1 1 d .
H1LB H 1.0030 0.0029 1.0044 0.182 Uiso 1 1 calc R
H1LC H 1.0646 0.0278 0.9405 0.182 Uiso 1 1 calc R
H1LA H 0.9479 0.0195 0.8959 0.182 Uiso 1 1 calc R
C58 C 0.4957(14) 0.4490(4) 0.0515(14) 0.130(7) Uani 1 1 d .
H2LC H 0.5095 0.4709 0.0127 0.195 Uiso 1 1 calc R
H2LB H 0.5361 0.4505 0.1214 0.195 Uiso 1 1 calc R
H2LA H 0.4243 0.4485 0.0528 0.195 Uiso 1 1 calc R
C46A C 1.1214(6) 0.2362(3) 1.0206(8) 0.061(3) Uani 1 1 d .
H3L H 1.1673 0.2565 1.0327 0.073 Uiso 1 1 calc R
C47A C 1.1128(6) 0.2132(3) 1.0980(7) 0.049(2) Uani 1 1 d .
H4L H 1.1546 0.2170 1.1636 0.059 Uiso 1 1 calc R
C48A C 1.0432(6) 0.1836(3) 1.0832(7) 0.043(2) Uani 1 1 d .
H5L H 1.0383 0.1677 1.1384 0.051 Uiso 1 1 calc R
C19 C 0.6628(7) 0.3256(3) 0.5369(8) 0.059(3) Uani 1 1 d .
H6L H 0.6643 0.3054 0.4911 0.071 Uiso 1 1 calc R
C13A C 0.8329(7) 0.1430(3) 0.4634(6) 0.045(2) Uani 1 1 d .
H7L H 0.8267 0.1614 0.5125 0.054 Uiso 1 1 calc R
C12A C 0.8444(8) 0.1568(4) 0.3716(9) 0.080(4) Uani 1 1 d .
H8L H 0.8498 0.1825 0.3551 0.096 Uiso 1 1 calc R
C41A C 0.5869(5) 0.2305(2) 0.7651(7) 0.0371(19) Uani 1 1 d .
H9L H 0.5195 0.2376 0.7634 0.045 Uiso 1 1 calc R
C42A C 0.6065(7) 0.2071(3) 0.6940(8) 0.071(3) Uani 1 1 d .
H0M H 0.5537 0.1996 0.6391 0.085 Uiso 1 1 calc R
C0AA C 0.7866(6) 0.2791(2) 0.3062(6) 0.0354(18) Uani 1 1 d .
H2F H 0.7744 0.2959 0.3566 0.042 Uiso 1 1 calc R
C43A C 0.7072(6) 0.1933(3) 0.7001(6) 0.045(2) Uani 1 1 d .
H1M H 0.7187 0.1753 0.6519 0.053 Uiso 1 1 calc R
C4MA C 0.5534(15) 0.0349(10) 1.2565(11) 0.210(14) Uani 1 1 d .
C5MA C 0.4151(17) 0.5007(12) 0.647(4) 0.35(3) Uani 1 1 d .
C6MA C 1.1538(17) 0.4226(8) -0.251(2) 0.205(10) Uani 1 1 d .
C7MA C 1.045(3) 0.4097(6) -0.2408(15) 0.234(14) Uani 1 1 d .
C8MA C 0.492(2) 0.4854(7) 0.5775(18) 0.197(9) Uani 1 1 d .
C9MA C 0.419(5) 0.0489(12) 1.248(4) 0.40(3) Uani 1 1 d .
C1NA C 0.972(4) 0.4561(8) -0.266(3) 0.36(3) Uani 1 1 d .
C2NA C 0.954(4) -0.0246(4) 0.3995(15) 0.40(3) Uani 1 1 d .
C4NA C 0.6635(15) 0.5161(9) 0.780(2) 0.226(11) Uani 1 1 d .
C3MA C 1.017(4) -0.0084(11) 0.355(2) 0.32(3) Uani 1 1 d .
C3NA C 1.099(3) -0.0251(9) 0.368(2) 0.242(17) Uani 1 1 d .
C6NA C 0.862(3) -0.0293(8) 0.2720(17) 0.288(18) Uani 1 1 d .
C7NA C 0.621(2) 0.5022(7) 0.637(3) 0.261(15) Uani 1 1 d .
C0NA C 0.376(3) 0.0958(14) 1.2519(17) 0.42(3) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
Pt1 P1 Pt2 41.80(6) . .
Pt1 Pt2 P1 64.91(9) . .
Pt1 Pt2 P2 69.57(11) . .
Pt1 Pt2 C50 121.3(2) . .
Pt1A Pt2A P1A 66.81(8) . .
Pt1A Pt2A P2A 72.18(10) . .
Pt1A Pt2A C50A 122.01(17) . .
Pt1A P1A Pt2A 40.52(5) . .
Pt2A Pt1A P1A 72.67(9) . .
Pt2A Pt1A P2A 65.27(11) . .
Pt2A Pt1A C1A 125.76(19) . .
Pt2A P2A Pt1A 42.55(6) . .
P1 Pt1 P2 113.24(7) . .
P2 Pt2 P1 109.95(12) . .
Pt2 Pt1 P1 73.28(12) . .
Pt2 Pt1 P2 66.86(13) . .
Pt2 Pt1 C1 124.0(3) . .
Pt2 P2 Pt1 43.57(6) . .
P2A Pt1A P1A 112.49(7) . .
P2A Pt2A P1A 113.04(11) . .
P2A Pt2A C50A 83.98(19) . .
N2 C50 Pt2 130.1(7) . .
N2 C50 C49 118.1(8) . .
N2A C50A Pt2A 134.4(6) . .
N2A C50A C49A 121.2(7) . .
N1A C1A Pt1A 131.1(5) . .
N1A C1A C2A 114.5(6) . .
N1A C20A C21A 115.7(8) . .
N1 C1 Pt1 125.8(6) . .
N1 C1 C2 116.5(6) . .
C21A C29A C30A 112.9(9) . .
C21A C29A C31A 112.9(8) . .
C21A C22A C23A 119.1(8) . .
C44 P2 Pt1 110.4(2) . .
C44 P2 Pt2 101.5(2) . .
C44 P2 C38 102.1(3) . .
C44 P2 C32 104.0(3) . .
C44 C49 C50 117.9(7) . .
C25 C20 N1 121.6(8) . .
C25 C20 C21 121.0(8) . .
C25 C26 C27 106.4(8) . .
C14A P1A Pt1A 131.2(3) . .
C14A P1A Pt2A 91.7(3) . .
C14A P1A C3A 104.2(3) . .
C14A C15A C16A 124.8(9) . .
C14A C19A C18A 129.6(11) . .
C49 C44 P2 118.3(6) . .
C49 C44 C45 117.2(8) . .
C49 C50 Pt2 111.3(5) . .
C49 C48 C47 123.1(9) . .
C38 P2 Pt1 109.8(2) . .
C38 P2 Pt2 149.9(3) . .
C38 P2 C32 103.7(3) . .
C38 C43 C42 118.6(8) . .
C38 C39 C40 119.3(7) . .
C37 C32 P2 123.0(6) . .
C37 C36 C35 121.1(7) . .
C2 C1 Pt1 117.2(5) . .
C2 C3 P1 114.5(6) . .
C2 C7 C6 119.9(11) . .
C8 P1 Pt1 131.4(3) . .
C8 P1 Pt2 91.5(3) . .
C8 C13 C12 116.4(7) . .
C32A P2A Pt1A 108.3(3) . .
C32A P2A Pt2A 147.0(3) . .
C32A P2A C44A 102.8(4) . .
C32A P2A C38A 103.0(4) . .
C44A P2A Pt1A 110.1(3) . .
C44A P2A Pt2A 102.8(3) . .
C44A P2A C38A 103.6(3) . .
C44A C45A C46A 119.5(8) . .
C44A C49A C50A 124.1(7) . .
C44A C49A C48A 118.4(8) . .
C13 C8 P1 123.3(5) . .
C13 C8 C9 122.5(7) . .
C45A C44A P2A 121.2(6) . .
C45A C44A C49A 121.1(7) . .
C45 C44 P2 124.2(6) . .
C45 C46 C47 118.4(7) . .
C21 C20 N1 117.0(8) . .
C21 C22 C23 116.1(9) . .
C2A C1A Pt1A 113.6(4) . .
C2A C3A P1A 112.4(5) . .
C39A C38A P2A 122.0(6) . .
C39A C38A C43A 119.2(7) . .
C1A Pt1A P1A 82.6(2) . .
C1A Pt1A P2A 164.44(19) . .
C1A N1A C20A 117.6(7) . .
C37A C32A P2A 122.8(5) . .
C3A P1A Pt1A 101.1(3) . .
C3A P1A Pt2A 108.2(3) . .
C3A C2A C1A 119.9(7) . .
C3A C4A C5A 118.6(8) . .
C1 Pt1 P1 79.2(2) . .
C1 Pt1 P2 166.5(2) . .
C1 N1 C20 121.3(6) . .
C51 C52 C60 125.0(7) . .
C51 C52 C53 116.4(9) . .
C51 C56 C57 123.4(9) . .
C51 C56 C55 114.2(9) . .
C32 P2 Pt1 124.5(2) . .
C32 P2 Pt2 88.4(2) . .
C32 C0AA C34 121.6(7) . .
C14 P1 Pt1 106.8(3) . .
C14 P1 Pt2 138.2(4) . .
C14 P1 C8 102.9(4) . .
C14 C15 C16 132.7(11) . .
C15A C14A P1A 123.5(6) . .
C3 P1 Pt1 100.6(3) . .
C3 P1 Pt2 106.5(3) . .
C3 P1 C8 106.9(4) . .
C3 P1 C14 106.3(4) . .
C3 C2 C1 115.4(7) . .
C8A P1A Pt1A 105.1(3) . .
C8A P1A Pt2A 136.6(3) . .
C8A P1A C14A 108.4(4) . .
C8A P1A C3A 103.6(4) . .
C8A C9A C10A 105.0(9) . .
C38A P2A Pt1A 126.5(3) . .
C38A P2A Pt2A 90.7(3) . .
C38A C39A C40A 119.3(8) . .
C38A C43A C42A 121.1(7) . .
C20 C25 C26 123.6(9) . .
C20 C25 C24 115.1(9) . .
C20 C21 C29 118.0(9) . .
C25A C20A N1A 124.8(7) . .
C25A C20A C21A 119.4(7) . .
C25A C26A C27A 106.7(7) . .
C25A C26A C28A 117.2(9) . .
C36 C37 C32 122.9(8) . .
C36 C35 C34 118.2(7) . .
C33A C32A P2A 120.0(7) . .
C33A C32A C37A 117.1(7) . .
C33A C34A C35A 118.9(7) . .
C50 Pt2 P1 166.7(3) . .
C50 Pt2 P2 83.3(2) . .
C50 N2 C51 116.9(7) . .
C49A C44A P2A 117.7(6) . .
C49A C50A Pt2A 104.3(4) . .
C43 C38 P2 118.2(6) . .
C39 C38 P2 120.7(5) . .
C39 C38 C43 121.1(7) . .
C39 C40 C41 120.3(9) . .
C52A C51A N2A 119.4(7) . .
C52A C60A C61A 108.5(8) . .
C52A C60A C62A 113.2(8) . .
C52A C53A C54A 122.1(10) . .
C48 C49 C44 117.6(8) . .
C48 C49 C50 124.5(8) . .
C52 C51 N2 117.9(8) . .
C51A C52A C60A 117.0(7) . .
C51A C56A C57A 119.1(9) . .
C50A Pt2A P1A 163.0(2) . .
C50A N2A C51A 118.9(7) . .
C20A C21A C29A 116.2(7) . .
C20A C25A C24A 114.6(8) . .
C20A C25A C26A 118.6(7) . .
C46 C45 C44 124.4(8) . .
C46 C47 C48 119.4(8) . .
C24 C25 C26 120.7(9) . .
C24 C23 C22 118.0(8) . .
C22A C21A C29A 122.9(7) . .
C22A C21A C20A 120.6(7) . .
C24A C23A C22A 120.5(8) . .
C34A C33A C32A 121.8(8) . .
C35A C36A C37A 121.7(8) . .
C41 C42 C43 120.3(7) . .
C33 C60 C52 113.2(8) . .
C33 C60 C61 110.5(8) . .
C26A C25A C24A 126.4(8) . .
C23A C24A C25A 125.3(9) . .
C56 C51 N2 115.6(8) . .
C56 C51 C52 125.4(9) . .
C56 C57 C59 108.6(8) . .
C4 C3 P1 126.5(7) . .
C4 C3 C2 119.0(8) . .
C4A C3A P1A 124.4(6) . .
C4A C3A C2A 123.1(7) . .
C4A C5A C6A 116.8(7) . .
C22 C21 C20 125.1(9) . .
C22 C21 C29 116.8(9) . .
C42 C41 C40 120.2(7) . .
C11 C12 C13 123.4(9) . .
C11 C10 C9 126.9(10) . .
C9A C8A P1A 120.4(6) . .
C23 C24 C25 124.2(9) . .
C56A C51A N2A 121.7(7) . .
C56A C51A C52A 118.8(8) . .
C56A C55A C54A 116.4(10) . .
C18 C17 C16 115.0(9) . .
C18 C19 C14 111.7(9) . .
C36A C37A C32A 120.3(6) . .
C36A C35A C34A 119.8(7) . .
C17A C16A C15A 118.1(12) . .
C53 C52 C60 118.5(7) . .
C15 C14 P1 125.3(9) . .
C15 C14 C19 117.7(9) . .
C15 C16 C17 106.8(9) . .
C62A C60A C61A 107.7(8) . .
C19A C14A P1A 123.8(8) . .
C19A C14A C15A 112.5(7) . .
C19A C18A C17A 116.2(8) . .
C10 C11 C12 117.5(9) . .
C10 C9 C8 113.0(9) . .
C11A C10A C9A 140.0(13) . .
C5 C4 C3 117.3(9) . .
C5 C6 C7 119.5(12) . .
C16A C17A C18A 118.8(8) . .
C61 C60 C52 114.2(7) . .
C9 C8 P1 114.1(7) . .
C7A C2A C1A 118.5(7) . .
C7A C2A C3A 121.4(7) . .
C7A C6A C5A 122.9(8) . .
C53A C52A C51A 120.2(8) . .
C53A C52A C60A 122.8(7) . .
C53A C54A C55A 121.5(11) . .
C17 C18 C19 136.0(12) . .
C6A C7A C2A 117.1(8) . .
C10A C11A C12A 116.9(10) . .
C55A C56A C51A 119.5(8) . .
C55A C56A C57A 121.0(10) . .
C28A C26A C27A 102.3(8) . .
C55 C56 C57 122.4(9) . .
C55 C54 C53 118.1(9) . .
C7 C2 C1 126.5(8) . .
C7 C2 C3 117.9(9) . .
C30 C29 C21 108.2(9) . .
C31 C29 C21 114.9(7) . .
C31 C29 C30 119.0(9) . .
C6 C5 C4 125.9(10) . .
C28 C26 C25 114.0(9) . .
C28 C26 C27 113.2(9) . .
C31A C29A C30A 107.9(8) . .
C54 C53 C52 119.5(9) . .
C54 C55 C56 125.5(10) . .
C58A C57A C56A 111.4(8) . .
C58A C57A C59A 112.7(12) . .
C59A C57A C56A 113.0(12) . .
C58 C57 C56 114.9(12) . .
C58 C57 C59 109.0(11) . .
C46A C47A C48A 121.4(9) . .
C47A C46A C45A 120.0(9) . .
C47A C48A C49A 119.5(9) . .
C48A C49A C50A 117.3(8) . .
C19 C14 P1 116.6(8) . .
C13A C8A P1A 119.3(6) . .
C13A C8A C9A 120.2(7) . .
C13A C12A C11A 107.9(9) . .
C12A C13A C8A 129.8(9) . .
C41A C40A C39A 118.5(7) . .
C41A C42A C43A 120.7(9) . .
C42A C41A C40A 120.8(7) . .
C0AA C32 P2 120.6(5) . .
C0AA C32 C37 116.2(6) . .
C0AA C34 C35 119.4(7) . .
C43A C38A P2A 118.8(5) . .
C5MA C4MA C9MA 107.7(16) 2_647 .
C5MA C8MA C7NA 108(2) . .
C6MA C7MA C1NA 101.2(18) . .
C6MA C6NA C2NA 105.5(19) 2_745 .
C7MA C6MA C6NA 102(2) . 2_755
C8MA C5MA C4MA 124.5(17) . 2_657
C8MA C7NA C4NA 123.6(16) . .
C9MA C4NA C7NA 85(2) 2_657 .
C2NA C3MA C1NA 99(3) . 2_745
C4NA C9MA C4MA 116(3) 2_647 .
C4NA C9MA C0NA 118(4) 2_647 .
C3MA C1NA C7MA 128(3) 2_755 .
C3MA C2NA C6NA 90(2) . .
C3MA C3NA C1NA 75(3) . 2_745
C3NA C1NA C7MA 134(3) 2_755 .
C3NA C1NA C3MA 43(2) 2_755 2_755
C3NA C3MA C1NA 63(4) . 2_745
C3NA C3MA C2NA 113(4) . .
C0NA C9MA C4MA 125(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.305(2) .
Pt1 P2 2.307(2) .
Pt1 Pt2 1.6967(16) .
Pt1 C1 2.087(7) .
Pt1A Pt2A 1.6401(16) .
Pt1A P1A 2.320(2) .
Pt1A P2A 2.309(2) .
Pt1A C1A 2.084(7) .
Pt2A P1A 2.410(3) .
Pt2A P2A 2.203(3) .
Pt2A C50A 2.395(6) .
P1A C14A 1.798(6) .
P1A C3A 1.831(8) .
P1A C8A 1.783(8) .
P1 Pt2 2.438(4) .
P1 C8 1.871(8) .
P1 C14 1.801(9) .
P1 C3 1.797(8) .
P2 Pt2 2.264(4) .
P2 C44 1.824(9) .
P2 C38 1.830(7) .
P2 C32 1.841(7) .
Pt2 C50 2.258(10) .
P2A C32A 1.794(8) .
P2A C44A 1.817(7) .
P2A C38A 1.848(7) .
N2 C51 1.391(12) .
N2 C50 1.348(9) .
N2A C51A 1.474(12) .
N2A C50A 1.181(9) .
N1A C1A 1.256(9) .
N1A C20A 1.451(11) .
N1 C1 1.344(8) .
N1 C20 1.424(9) .
C21A C29A 1.470(12) .
C21A C20A 1.465(10) .
C21A C22A 1.294(12) .
C44 C49 1.422(10) .
C44 C45 1.426(10) .
C25 C20 1.323(13) .
C25 C26 1.525(13) .
C25 C24 1.505(13) .
C14A C15A 1.331(12) .
C14A C19A 1.312(11) .
C49 C50 1.492(12) .
C49 C48 1.386(12) .
C38 C43 1.402(9) .
C38 C39 1.360(11) .
C37 C32 1.404(10) .
C37 C36 1.340(9) .
C2 C1 1.469(12) .
C2 C3 1.414(12) .
C2 C7 1.384(12) .
C8 C13 1.395(12) .
C8 C9 1.439(11) .
C32A C37A 1.431(11) .
C32A C33A 1.398(9) .
C44A C45A 1.364(11) .
C44A C49A 1.366(11) .
C13 C12 1.414(11) .
C45A C46A 1.389(13) .
C45 C46 1.344(12) .
C21 C20 1.409(12) .
C21 C22 1.384(13) .
C21 C29 1.631(13) .
C2A C1A 1.547(9) .
C2A C3A 1.420(11) .
C2A C7A 1.412(11) .
C39A C38A 1.360(10) .
C39A C40A 1.471(10) .
C37A C36A 1.377(10) .
C3A C4A 1.396(10) .
C51 C52 1.381(11) .
C51 C56 1.376(13) .
C32 C0AA 1.377(11) .
C14 C15 1.303(14) .
C14 C19 1.413(12) .
C15A C16A 1.428(12) .
C3 C4 1.399(12) .
C8A C9A 1.421(12) .
C8A C13A 1.365(11) .
C38A C43A 1.395(10) .
C25A C20A 1.372(11) .
C25A C24A 1.392(11) .
C25A C26A 1.394(12) .
C36 C35 1.351(12) .
C33A C34A 1.374(11) .
C49A C50A 1.508(10) .
C49A C48A 1.392(12) .
C43 C42 1.417(11) .
C26 C28 1.510(14) .
C26 C27 1.536(16) .
C39 C40 1.377(12) .
C52A C51A 1.455(11) .
C52A C60A 1.501(12) .
C52A C53A 1.312(13) .
C47 C48 1.400(13) .
C47 C46 1.390(13) .
C52 C60 1.557(12) .
C52 C53 1.447(13) .
C60 C33 1.418(14) .
C60 C61 1.532(10) .
C51A C56A 1.420(13) .
C29A C30A 1.543(15) .
C29A C31A 1.532(13) .
C35 C34 1.425(12) .
C60A C61A 1.591(14) .
C60A C62A 1.510(10) .
C24 C23 1.364(13) .
C22A C23A 1.390(14) .
C40A C41A 1.411(12) .
C24A C23A 1.284(14) .
C34A C35A 1.434(14) .
C35A C36A 1.337(11) .
C41 C40 1.424(11) .
C41 C42 1.326(13) .
C26A C27A 1.615(14) .
C26A C28A 1.559(11) .
C56 C57 1.557(13) .
C56 C55 1.375(16) .
C4 C5 1.357(14) .
C4A C5A 1.424(12) .
C22 C23 1.446(14) .
C29 C30 1.482(14) .
C29 C31 1.434(13) .
C11 C12 1.349(15) .
C11 C10 1.329(18) .
C9A C10A 1.528(15) .
C56A C57A 1.534(14) .
C56A C55A 1.389(15) .
C18 C17 1.099(15) .
C18 C19 1.400(12) .
C34 C0AA 1.383(10) .
C5A C6A 1.528(14) .
C17A C18A 1.408(13) .
C17A C16A 1.338(15) .
C18A C19A 1.347(11) .
C53 C54 1.384(14) .
C15 C16 1.322(13) .
C10 C9 1.411(15) .
C11A C10A 1.005(16) .
C11A C12A 1.624(16) .
C5 C6 1.259(16) .
C7A C6A 1.381(13) .
C53A C54A 1.322(16) .
C17 C16 1.677(17) .
C57A C58A 1.397(18) .
C57A C59A 1.491(17) .
C57 C59 1.634(19) .
C57 C58 1.540(16) .
C55A C54A 1.472(17) .
C55 C54 1.369(16) .
C7 C6 1.396(15) .
C46A C47A 1.325(14) .
C47A C48A 1.376(13) .
C13A C12A 1.344(12) .
C41A C42A 1.312(12) .
C42A C43A 1.418(12) .
C4MA C5MA 1.73(5) 2_647
C4MA C9MA 1.84(6) .
C5MA C4MA 1.73(5) 2_657
C5MA C8MA 1.61(5) .
C6MA C7MA 1.56(3) .
C6MA C6NA 1.71(4) 2_755
C7MA C1NA 1.88(5) .
C8MA C7NA 1.83(4) .
C9MA C4NA 1.58(5) 2_647
C9MA C0NA 1.74(6) .
C1NA C3MA 1.73(5) 2_755
C1NA C3NA 1.60(5) 2_755
C2NA C3MA 1.27(6) .
C2NA C6NA 1.86(5) .
C4NA C9MA 1.58(5) 2_657
C4NA C7NA 1.91(4) .
C3MA C1NA 1.73(5) 2_745
C3MA C3NA 1.21(6) .
C3NA C1NA 1.60(5) 2_745
C6NA C6MA 1.71(4) 2_745
