#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/11/56/4115604.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_4115604
loop_
_publ_author_name
'Stefan Reinartz'
'Peter S. White'
'Maurice Brookhart'
'Joseph L. Templeton'
_publ_section_title
;
 Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6425
_journal_page_last               6426
_journal_paper_doi               10.1021/ja0104047
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'Pt C61 H66 B2 N6 F24 Si O2 '
_chemical_formula_sum            'C61 H66 B2 F24 N6 O2 Pt Si'
_chemical_formula_weight         1615.97
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 95.457(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.4242(5)
_cell_length_b                   22.4768(8)
_cell_length_c                   25.1848(9)
_cell_measurement_reflns_used    7737
_cell_measurement_temperature    193
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.50
_cell_volume                     7001.1(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      193
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            76373
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    2.12
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_F_000             3230.04
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.07
_refine_diff_density_min         -0.90
_refine_ls_extinction_coef       0.9316(1357)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   2.29
_refine_ls_matrix_type           full
_refine_ls_number_parameters     956
_refine_ls_number_reflns         11787
_refine_ls_R_factor_all          0.068
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0002F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.064
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          11787
_reflns_number_total             16014
_reflns_observed_criterion       'Inet > 3.0\s(Inet)'
_cod_data_source_file            ja0104047.cif
_cod_data_source_block           c00108
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Pt C61 H66 B2 N6 F24 Si O2 '
_cod_database_code               4115604
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,1/2+y,1/2-z
x,1/2-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
_atom_site_aniso_type_symbol
Pt1 0.05314(14) 0.04025(13) 0.03293(12) -0.00742(10) 0.00630(8) 0.00341(9) Pt
Si1 0.0613(10) 0.0702(11) 0.0369(8) 0.0011(8) 0.0164(7) 0.0134(8) Si
C1 0.139(8) 0.152(9) 0.101(6) 0.084(7) 0.077(6) 0.068(6) C
C2 0.339(18) 0.079(6) 0.104(7) 0.066(9) 0.080(10) 0.005(5) C
C3 0.070(4) 0.070(4) 0.042(3) -0.005(3) 0.016(3) 0.012(3) C
C4 0.131(7) 0.091(6) 0.055(4) -0.011(5) 0.019(4) 0.021(4) C
C5 0.088(6) 0.263(13) 0.043(4) -0.095(7) -0.009(4) 0.046(6) C
C6 0.279(22) 0.45(3) 0.122(11) -0.180(23) -0.003(12) 0.001(15) C
B10 0.034(3) 0.042(3) 0.030(3) -0.0072(24) 0.0055(22) 0.0037(23) B
N11 0.0414(22) 0.0358(22) 0.0296(19) -0.0070(18) -0.0010(17) 0.0001(16) n
N12 0.0329(19) 0.0324(20) 0.0315(19) -0.0046(16) 0.0029(16) 0.0020(16) n
C13 0.036(3) 0.0329(24) 0.052(3) -0.0027(21) -0.0031(23) 0.0040(23) C
C14 0.051(3) 0.035(3) 0.054(3) -0.0053(23) -0.012(3) -0.0045(24) C
C15 0.050(3) 0.037(3) 0.046(3) 0.0014(23) -0.0143(24) -0.0092(23) C
C16 0.062(4) 0.054(4) 0.062(4) -0.024(3) -0.006(3) 0.014(3) C
C17 0.088(4) 0.055(4) 0.041(3) -0.007(3) -0.017(3) -0.010(3) C
N21 0.0389(21) 0.0336(22) 0.0374(21) -0.0053(17) 0.0057(17) -0.0006(17) n
N22 0.0333(19) 0.0383(22) 0.0363(20) -0.0060(17) 0.0069(17) -0.0058(18) n
C23 0.040(3) 0.052(3) 0.051(3) -0.0153(25) 0.0139(24) -0.019(3) C
C24 0.045(3) 0.046(3) 0.078(4) -0.004(3) 0.019(3) -0.023(3) C
C25 0.042(3) 0.031(3) 0.068(4) -0.0011(22) 0.002(3) -0.0044(25) C
C26 0.062(4) 0.092(5) 0.052(4) -0.021(3) 0.032(3) -0.024(3) C
C27 0.078(4) 0.042(3) 0.106(5) 0.009(3) 0.014(4) 0.000(4) C
N31 0.0322(20) 0.0375(22) 0.0362(20) -0.0016(17) 0.0012(17) -0.0002(17) n
N32 0.0345(20) 0.0365(21) 0.0286(19) -0.0090(17) 0.0015(16) 0.0001(16) n
C33 0.041(3) 0.042(3) 0.0296(23) -0.0107(22) -0.0014(20) 0.0025(20) C
C34 0.032(3) 0.059(3) 0.042(3) -0.0133(23) -0.0006(21) 0.0050(25) C
C35 0.036(3) 0.051(3) 0.040(3) -0.0023(23) 0.0023(21) 0.0096(23) C
C36 0.051(3) 0.055(3) 0.043(3) -0.018(3) -0.0032(24) -0.0124(25) C
C37 0.037(3) 0.071(4) 0.068(4) -0.001(3) 0.006(3) 0.013(3) C
B40 0.0284(24) 0.028(3) 0.0276(24) 0.0041(20) -0.0005(20) 0.0020(20) B
C41 0.0269(21) 0.0367(25) 0.0255(21) 0.0040(19) 0.0023(17) 0.0000(18) C
C42 0.0305(23) 0.038(3) 0.0332(23) 0.0059(20) 0.0073(19) 0.0044(19) C
C43 0.0345(24) 0.044(3) 0.0341(24) 0.0107(22) 0.0062(20) 0.0055(21) C
C44 0.0262(23) 0.067(4) 0.042(3) 0.0095(24) 0.0052(21) 0.010(3) C
C45 0.036(3) 0.054(3) 0.0303(24) -0.0021(23) 0.0030(20) 0.0023(22) C
C46 0.0357(24) 0.035(3) 0.0294(22) 0.0013(19) -0.0001(19) 0.0000(18) C
C47 0.043(3) 0.071(4) 0.052(3) 0.029(3) 0.007(3) 0.021(3) C
C48 0.038(3) 0.075(4) 0.059(4) -0.013(3) 0.005(3) 0.009(3) C
C51 0.0260(21) 0.0310(23) 0.0321(23) 0.0058(18) -0.0007(18) 0.0012(18) C
C52 0.0244(21) 0.0341(24) 0.0353(23) 0.0021(18) -0.0022(19) 0.0040(19) C
C53 0.0284(22) 0.047(3) 0.0271(22) -0.0012(21) -0.0020(18) 0.0050(20) C
C54 0.048(3) 0.053(3) 0.0256(22) -0.0015(25) 0.0021(21) -0.0037(22) C
C55 0.048(3) 0.038(3) 0.0353(25) -0.0014(22) -0.0007(22) -0.0049(21) C
C56 0.039(3) 0.038(3) 0.0316(23) -0.0008(21) 0.0034(20) 0.0026(20) C
C57 0.041(3) 0.059(3) 0.036(3) -0.001(3) 0.0003(22) 0.0045(24) C
C58 0.138(7) 0.042(4) 0.051(4) -0.019(4) 0.018(4) -0.011(3) C
C61 0.0342(23) 0.0271(22) 0.0273(21) 0.0081(18) 0.0023(18) 0.0047(17) C
C62 0.0263(21) 0.0302(23) 0.0345(23) 0.0054(18) -0.0027(18) 0.0003(19) C
C63 0.0357(24) 0.0354(24) 0.0326(23) 0.0004(20) -0.0015(20) 0.0029(20) C
C64 0.050(3) 0.031(3) 0.040(3) -0.0086(22) -0.0015(23) -0.0028(20) C
C65 0.054(3) 0.033(3) 0.042(3) 0.0020(23) 0.0083(23) -0.0064(21) C
C66 0.040(3) 0.0337(25) 0.0319(23) -0.0004(21) 0.0061(20) -0.0012(19) C
C67 0.042(3) 0.047(3) 0.044(3) -0.0029(24) -0.0050(23) -0.0090(24) C
C68 0.097(6) 0.052(4) 0.063(4) -0.014(4) 0.031(4) -0.020(3) C
C71 0.0310(21) 0.0227(22) 0.0264(20) 0.0011(17) -0.0023(17) -0.0015(16) C
C72 0.0317(22) 0.0295(23) 0.0289(22) 0.0005(19) -0.0007(18) 0.0025(18) C
C73 0.0337(23) 0.0301(24) 0.0361(24) 0.0055(19) -0.0035(19) 0.0030(19) C
C74 0.041(3) 0.038(3) 0.0322(24) 0.0001(21) -0.0093(20) 0.0090(20) C
C75 0.046(3) 0.038(3) 0.0244(21) -0.0008(22) -0.0023(20) 0.0016(19) C
C76 0.0368(24) 0.0304(24) 0.0286(22) 0.0042(19) -0.0001(19) 0.0000(18) C
C77 0.045(3) 0.042(3) 0.052(3) 0.0133(24) 0.0003(25) 0.0112(25) C
C78 0.069(4) 0.060(4) 0.032(3) 0.006(3) 0.007(3) 0.005(3) C
F41 0.177(18) 0.063(7) 0.033(4) 0.068(9) 0.025(7) 0.014(4) F
F42 0.133(9) 0.042(5) 0.103(8) 0.030(6) -0.024(7) 0.000(5) F
F43 0.052(6) 0.111(11) 0.253(19) 0.057(7) 0.073(9) 0.113(12) F
F41a 0.137(10) 0.069(7) 0.033(4) 0.058(9) 0.013(6) -0.008(4) F
F42a 0.041(4) 0.090(9) 0.130(15) 0.019(4) 0.032(7) 0.072(9) F
F43a 0.050(4) 0.076(6) 0.078(5) 0.023(4) -0.026(4) 0.008(4) F
F44 0.056(3) 0.175(6) 0.371(11) -0.009(3) 0.048(5) 0.152(7) F
F45 0.155(5) 0.226(6) 0.068(3) -0.123(5) -0.014(3) 0.069(4) F
F46 0.296(9) 0.140(5) 0.141(5) -0.159(6) 0.128(5) -0.057(4) F
F51 0.0547(20) 0.112(3) 0.0714(23) 0.0271(20) 0.0287(18) 0.0425(22) F
F52 0.0665(20) 0.0819(24) 0.0362(16) 0.0063(18) -0.0055(15) 0.0160(16) F
F53 0.095(3) 0.0642(23) 0.0503(19) -0.0200(19) 0.0130(18) 0.0136(16) F
F54 0.194(6) 0.075(3) 0.268(8) -0.082(4) 0.108(6) -0.078(4) F
F55 0.264(8) 0.0413(25) 0.155(5) 0.025(4) -0.020(5) -0.001(3) F
F56 0.432(11) 0.061(3) 0.066(3) -0.065(5) 0.053(5) -0.0363(23) F
F61 0.077(3) 0.230(6) 0.090(3) -0.083(3) 0.050(3) -0.067(4) F
F62 0.104(4) 0.070(3) 0.373(10) -0.007(3) 0.142(5) 0.017(4) F
F63 0.0425(22) 0.293(7) 0.087(3) 0.014(3) 0.0043(22) 0.045(4) F
F64 0.193(16) 0.112(11) 0.052(6) 0.001(10) 0.021(8) -0.023(6) F
F65 0.077(8) 0.22(3) 0.17(3) -0.053(14) 0.073(13) -0.155(21) F
F66 0.21(3) 0.032(4) 0.108(14) -0.017(8) 0.088(17) -0.028(6) F
F64a 0.29(4) 0.079(9) 0.089(14) -0.060(18) 0.119(21) -0.034(8) F
F65a 0.176(17) 0.143(13) 0.123(12) 0.112(13) 0.004(11) -0.058(11) F
F66a 0.090(8) 0.18(3) 0.146(21) -0.040(15) 0.023(11) -0.133(20) F
F71 0.0410(18) 0.073(3) 0.143(4) 0.0127(17) -0.0191(21) -0.0176(24) F
F72 0.0592(20) 0.0380(18) 0.120(3) 0.0146(16) 0.0080(20) -0.0015(19) F
F73 0.120(4) 0.163(4) 0.089(3) 0.111(3) 0.055(3) 0.062(3) F
F74 0.145(24) 0.118(12) 0.083(15) -0.088(15) 0.070(15) -0.039(11) F
F75 0.177(19) 0.064(9) 0.048(8) 0.048(13) 0.052(11) 0.003(7) F
F76 0.072(6) 0.26(3) 0.040(5) 0.004(13) -0.003(4) 0.067(12) F
F74a 0.203(23) 0.118(17) 0.065(11) -0.059(17) 0.053(14) -0.052(11) F
F75a 0.184(25) 0.120(11) 0.083(12) 0.092(13) 0.082(15) 0.084(10) F
F76a 0.060(6) 0.29(4) 0.061(9) -0.009(16) 0.024(5) 0.049(18) F
O81 0.077(3) 0.0528(25) 0.0551(24) 0.0005(21) 0.0035(21) -0.0105(20) O
C82 0.146(8) 0.086(6) 0.062(5) 0.033(5) 0.012(5) -0.012(4) C
C83 0.139(8) 0.069(5) 0.087(6) -0.008(5) 0.046(5) -0.009(4) C
C84 0.086(5) 0.049(4) 0.121(7) -0.001(4) -0.002(5) -0.012(4) C
C85 0.088(5) 0.056(4) 0.064(4) -0.026(4) 0.001(4) 0.002(3) C
O91 0.337(18) 0.427(23) 0.233(14) 0.230(18) 0.099(13) 0.113(15) O
C92 0.224(13) 0.075(6) 0.096(7) 0.029(7) -0.024(8) -0.013(5) C
C93 0.42(4) 0.53(5) 0.194(21) 0.29(4) -0.149(25) -0.165(25) C
C94 0.206(21) 0.60(6) 0.159(18) -0.10(3) 0.101(17) -0.09(3) C
C95 0.33(3) 0.273(23) 0.39(4) 0.176(22) -0.20(3) -0.119(23) C
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Pt1 0.837231(16) 0.660906(9) 0.946678(7) 0.04197(11) Uij Pt
Si1 0.66479(14) 0.63546(8) 0.97038(6) 0.0554(9) Uij Si
C1 0.5833(8) 0.7059(5) 0.9666(4) 0.126(7) Uij C
C2 0.5658(13) 0.7391(4) 1.0080(4) 0.170(11) Uij C
C3 0.6630(5) 0.6027(3) 1.03887(23) 0.060(3) Uij C
C4 0.7277(8) 0.5481(4) 1.0505(3) 0.092(5) Uij C
C5 0.6065(7) 0.5803(6) 0.9176(3) 0.132(7) Uij C
C6 0.5098(16) 0.5520(11) 0.9245(6) 0.286(22) Uij C
B10 0.8450(4) 0.72365(25) 0.82609(20) 0.035(3) Uij B
N11 0.8892(3) 0.74521(17) 0.92513(14) 0.0359(19) Uij n
N12 0.8879(3) 0.76338(16) 0.87302(14) 0.0323(18) Uij n
C13 0.9371(4) 0.81757(22) 0.87194(21) 0.041(3) Uij C
C14 0.9700(4) 0.83282(22) 0.92340(23) 0.047(3) Uij C
C15 0.9410(4) 0.78761(22) 0.95532(20) 0.046(3) Uij C
C16 0.9485(5) 0.8511(3) 0.8218(3) 0.060(3) Uij C
C17 0.9581(5) 0.7833(3) 1.01456(22) 0.063(4) Uij C
N21 0.8921(3) 0.62725(17) 0.87620(15) 0.0365(20) Uij n
N22 0.8948(3) 0.66157(16) 0.83127(15) 0.0358(19) Uij n
C23 0.9486(4) 0.63044(25) 0.79514(21) 0.047(3) Uij C
C24 0.9782(4) 0.5774(3) 0.8175(3) 0.055(3) Uij C
C25 0.9431(4) 0.57618(22) 0.86831(23) 0.047(3) Uij C
C26 0.9670(5) 0.6550(3) 0.7419(3) 0.067(4) Uij C
C27 0.9572(6) 0.5290(3) 0.9083(3) 0.075(5) Uij C
N31 0.6615(3) 0.76729(17) 0.84038(15) 0.0354(19) Uij n
N32 0.7183(3) 0.71912(16) 0.82605(14) 0.0333(18) Uij n
C33 0.6455(4) 0.68085(22) 0.80181(18) 0.0378(23) Uij C
C34 0.5431(4) 0.70542(24) 0.80223(20) 0.044(3) Uij C
C35 0.5561(4) 0.75979(24) 0.82658(19) 0.043(3) Uij C
C36 0.6744(4) 0.62301(25) 0.77915(20) 0.050(3) Uij C
C37 0.4761(4) 0.8073(3) 0.83891(24) 0.059(3) Uij C
B40 0.7072(4) 0.29851(22) 0.34944(19) 0.0283(22) Uij B
C41 0.5761(3) 0.28494(19) 0.34918(16) 0.0297(21) Uij C
C42 0.5336(3) 0.23110(21) 0.32894(17) 0.0335(22) Uij C
C43 0.4235(4) 0.21965(21) 0.32494(18) 0.0374(24) Uij C
C44 0.3516(4) 0.2610(3) 0.34156(20) 0.045(3) Uij C
C45 0.3920(4) 0.31459(24) 0.36125(18) 0.040(3) Uij C
C46 0.5026(4) 0.32674(20) 0.36426(18) 0.0337(23) Uij C
C47 0.3814(5) 0.1603(3) 0.30345(24) 0.055(3) Uij C
C48 0.3180(4) 0.3595(3) 0.3801(3) 0.057(4) Uij C
C51 0.7229(3) 0.32204(19) 0.28982(17) 0.0299(20) Uij C
C52 0.7493(3) 0.28609(19) 0.24678(17) 0.0316(21) Uij C
C53 0.7578(3) 0.30999(22) 0.19619(17) 0.0343(23) Uij C
C54 0.7383(4) 0.36979(24) 0.18523(18) 0.042(3) Uij C
C55 0.7094(4) 0.40523(21) 0.22651(19) 0.041(3) Uij C
C56 0.7015(4) 0.38199(21) 0.27691(18) 0.0360(23) Uij C
C57 0.7884(4) 0.2726(3) 0.15069(19) 0.046(3) Uij C
C58 0.6897(8) 0.4694(3) 0.2172(3) 0.076(5) Uij C
C61 0.7776(3) 0.23919(19) 0.36857(16) 0.0296(20) Uij C
C62 0.8797(3) 0.22649(19) 0.35135(17) 0.0307(20) Uij C
C63 0.9442(4) 0.18068(21) 0.37304(18) 0.0349(22) Uij C
C64 0.9120(4) 0.14612(21) 0.41421(20) 0.040(3) Uij C
C65 0.8134(4) 0.15802(21) 0.43264(21) 0.043(3) Uij C
C66 0.7476(4) 0.20325(20) 0.40995(17) 0.0351(23) Uij C
C67 1.0503(4) 0.16874(23) 0.35271(21) 0.045(3) Uij C
C68 0.7767(7) 0.1222(3) 0.4778(3) 0.069(4) Uij C
C71 0.7532(3) 0.34800(17) 0.39410(16) 0.0270(20) Uij C
C72 0.8435(3) 0.38252(19) 0.38595(17) 0.0303(20) Uij C
C73 0.8890(4) 0.42116(20) 0.42463(18) 0.0337(21) Uij C
C74 0.8463(4) 0.42671(21) 0.47400(18) 0.0379(23) Uij C
C75 0.7583(4) 0.39229(21) 0.48270(17) 0.0366(25) Uij C
C76 0.7116(4) 0.35367(19) 0.44418(17) 0.0322(21) Uij C
C77 0.9865(4) 0.45733(23) 0.41479(21) 0.047(3) Uij C
C78 0.7099(5) 0.3975(3) 0.53546(20) 0.054(3) Uij C
F41 0.4178(15) 0.1431(7) 0.2604(6) 0.090(10) Uij F
F42 0.4363(11) 0.1121(4) 0.3355(5) 0.095(7) Uij F
F43 0.2879(9) 0.1450(7) 0.3115(9) 0.135(12) Uij F
F41a 0.3544(14) 0.1268(5) 0.3365(3) 0.079(7) Uij F
F42a 0.4431(11) 0.1375(8) 0.2719(7) 0.085(9) Uij F
F43a 0.2878(7) 0.1725(4) 0.2676(4) 0.070(5) Uij F
F44 0.2190(4) 0.3436(3) 0.3779(4) 0.199(7) Uij F
F45 0.3397(5) 0.3747(3) 0.42895(19) 0.151(4) Uij F
F46 0.3140(7) 0.4075(3) 0.35488(24) 0.186(6) Uij F
F51 0.8800(3) 0.29068(18) 0.13220(14) 0.0780(23) Uij F
F52 0.7139(3) 0.27317(15) 0.10897(11) 0.0622(20) Uij F
F53 0.8011(3) 0.21469(15) 0.16344(13) 0.0696(21) Uij F
F54 0.6025(6) 0.48825(23) 0.2340(3) 0.174(6) Uij F
F55 0.7611(6) 0.50347(19) 0.24653(25) 0.156(6) Uij F
F56 0.6974(7) 0.48742(20) 0.17030(18) 0.184(7) Uij F
F61 1.0669(3) 0.1958(3) 0.30919(18) 0.130(4) Uij F
F62 1.0699(4) 0.11463(21) 0.3440(3) 0.175(6) Uij F
F63 1.1323(3) 0.1846(3) 0.38559(19) 0.141(5) Uij F
F64 0.8370(19) 0.1441(10) 0.5276(4) 0.118(12) Uij F
F65 0.6843(15) 0.1276(15) 0.4875(12) 0.152(20) Uij F
F66 0.8120(23) 0.0688(7) 0.4807(10) 0.110(18) Uij F
F64a 0.731(3) 0.1499(9) 0.5111(9) 0.147(22) Uij F
F65a 0.6959(24) 0.0833(11) 0.4556(6) 0.148(13) Uij F
F66a 0.8438(19) 0.0866(12) 0.4982(12) 0.137(19) Uij F
F71 1.0731(3) 0.44279(17) 0.44701(18) 0.087(3) Uij F
F72 0.9741(3) 0.51455(14) 0.42341(16) 0.0725(23) Uij F
F73 1.0150(4) 0.45161(24) 0.36668(17) 0.121(3) Uij F
F74 0.6324(20) 0.4348(10) 0.5347(8) 0.112(16) Uij F
F75 0.6657(20) 0.3494(7) 0.5514(7) 0.094(12) Uij F
F76 0.7820(14) 0.4107(14) 0.5740(7) 0.126(18) Uij F
F74a 0.7274(24) 0.3502(10) 0.5627(9) 0.126(16) Uij F
F75a 0.7473(21) 0.4400(10) 0.5651(8) 0.124(15) Uij F
F76a 0.6074(17) 0.4057(16) 0.5286(9) 0.135(21) Uij F
O81 0.7054(3) 0.87484(17) 0.88889(16) 0.0619(24) Uij O
C82 0.6900(8) 0.8838(4) 0.9441(3) 0.098(6) Uij C
C83 0.6597(8) 0.9431(4) 0.9524(3) 0.096(6) Uij C
C84 0.6369(6) 0.9705(3) 0.8981(4) 0.086(5) Uij C
C85 0.6993(6) 0.9306(3) 0.8631(3) 0.070(4) Uij C
O91 0.7034(13) 0.0789(8) 0.2914(6) 0.328(18) Uij O
C92 0.7123(11) 0.1207(4) 0.2501(4) 0.134(9) Uij C
C93 0.703(3) 0.0634(17) 0.2094(10) 0.39(4) Uij C
C94 0.7880(19) 0.0481(17) 0.2205(9) 0.32(3) Uij C
C95 0.7888(23) 0.0460(10) 0.2860(12) 0.34(3) Uij C
H1a 0.513 0.693 0.952 0.1406 Uiso H
H1b 0.614 0.731 0.941 0.1406 Uiso H
H2a 0.519 0.772 0.997 0.1839 Uiso H
H2b 0.533 0.716 1.034 0.1839 Uiso H
H2c 0.634 0.754 1.023 0.1839 Uiso H
H3a 0.589 0.594 1.044 0.0707 Uiso H
H3b 0.691 0.632 1.064 0.0707 Uiso H
H4a 0.722 0.535 1.086 0.1023 Uiso H
H4b 0.701 0.518 1.026 0.1023 Uiso H
H4c 0.802 0.556 1.046 0.1023 Uiso H
H5a 0.642 0.551 0.919 0.0546 Uiso H
H5b 0.599 0.600 0.883 0.1411 Uiso H
H6a 0.488 0.524 0.897 0.2945 Uiso H
H6b 0.516 0.532 0.958 0.2945 Uiso H
H6c 0.457 0.583 0.925 0.2903 Uiso H
H10 0.861 0.742 0.793 0.0456 Uiso H
H14 1.007 0.869 0.935 0.0563 Uiso H
H16a 0.985 0.888 0.830 0.0693 Uiso H
H16b 0.989 0.828 0.799 0.0693 Uiso H
H16c 0.878 0.859 0.804 0.0693 Uiso H
H17a 0.996 0.818 1.029 0.0714 Uiso H
H17b 0.889 0.781 1.029 0.0714 Uiso H
H17c 1.000 0.748 1.024 0.0714 Uiso H
H24 1.016 0.546 0.801 0.0663 Uiso H
H26a 1.006 0.626 0.723 0.0788 Uiso H
H26b 0.899 0.663 0.722 0.0788 Uiso H
H26c 1.008 0.691 0.746 0.0788 Uiso H
H27a 0.996 0.496 0.895 0.0851 Uiso H
H27b 0.997 0.544 0.940 0.0851 Uiso H
H27c 0.887 0.516 0.916 0.0851 Uiso H
H31 0.693 0.802 0.858 0.0453 Uiso H
H34 0.476 0.688 0.788 0.0542 Uiso H
H36a 0.610 0.603 0.764 0.0595 Uiso H
H36b 0.721 0.630 0.752 0.0595 Uiso H
H36c 0.711 0.599 0.806 0.0595 Uiso H
H37a 0.405 0.795 0.826 0.0687 Uiso H
H37b 0.480 0.813 0.877 0.0687 Uiso H
H37c 0.492 0.844 0.822 0.0687 Uiso H
H42 0.582 0.201 0.317 0.0438 Uiso H
H44 0.276 0.253 0.340 0.0552 Uiso H
H46 0.528 0.365 0.377 0.0434 Uiso H
H52 0.762 0.244 0.253 0.0413 Uiso H
H54 0.745 0.386 0.150 0.0523 Uiso H
H56 0.681 0.408 0.304 0.0460 Uiso H
H62 0.905 0.250 0.323 0.0403 Uiso H
H64 0.958 0.115 0.430 0.0501 Uiso H
H66 0.679 0.210 0.423 0.0453 Uiso H
H72 0.875 0.379 0.353 0.0400 Uiso H
H74 0.877 0.454 0.501 0.0470 Uiso H
H76 0.651 0.330 0.452 0.0420 Uiso H
H82a 0.633 0.858 0.953 0.1082 Uiso H
H82b 0.756 0.874 0.966 0.1082 Uiso H
H83a 0.719 0.964 0.972 0.1085 Uiso H
H83b 0.597 0.945 0.972 0.1085 Uiso H
H84a 0.661 1.011 0.897 0.0952 Uiso H
H84b 0.561 0.969 0.887 0.0952 Uiso H
H85a 0.663 0.927 0.828 0.0794 Uiso H
H85b 0.770 0.946 0.861 0.0794 Uiso H
H92a 0.652 0.147 0.245 0.1416 Uiso H
H92b 0.778 0.143 0.254 0.1416 Uiso H
H93a 0.708 0.082 0.173 0.4157 Uiso H
H93b 0.637 0.041 0.209 0.3914 Uiso H
H94a 0.775 0.004 0.210 0.3285 Uiso H
H94b 0.853 0.064 0.209 0.3318 Uiso H
H95a 0.853 0.065 0.302 0.3382 Uiso H
H95b 0.781 0.008 0.303 0.3382 Uiso H
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt -1.703 8.391 'International Tables Vol. IV Table 2.2B'
C 0.003 0.002 'International Tables Vol. IV Table 2.2B'
H 0.000 0.000 'International Tables Vol. IV Table 2.2B'
B 0.001 0.001 'International Tables Vol. IV Table 2.2B'
N 0.006 0.003 'International Tables Vol. IV Table 2.2B'
F 0.017 0.010 'International Tables Vol. IV Table 2.2B'
Si 0.082 0.070 'International Tables Vol. IV Table 2.2B'
O 0.011 0.006 'International Tables Vol. IV Table 2.2B'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Si(1) Pt(1) N(11) 126.76(11)
C(47) F(43) F(43a) 69.3(7)
Si(1) Pt(1) N(21) 120.25(11)
F(41) F(43) F(42) 57.3(6)
N(11) Pt(1) N(21) 88.52(14)
F(41) F(43) F(41a) 76.3(9)
Pt(1) Si(1) C(1) 106.4(3)
F(41) F(43) F(43a) 55.1(7)
Pt(1) Si(1) C(5) 105.99(25)
F(42) F(43) F(43a) 111.3(8)
C(1) Si(1) C(3) 108.9(3)
F(41a) F(43) F(43a) 129.4(11)
C(1) Si(1) C(5) 110.2(5)
C(47) F(41a) F(41) 29.4(6)
C(3) Si(1) C(5) 110.4(3)
C(47) F(41a) F(42) 81.2(12)
Si(1) C(1) C(2) 124.5(8)
C(47) F(41a) F(43) 66.6(7)
Si(1) C(3) C(4) 117.0(4)
C(47) F(41a) F(42a) 33.9(6)
Si(1) C(5) C(6) 119.1(9)
C(47) F(41a) F(43a) 40.2(5)
N(12) B(10) N(22) 110.9(4)
F(41) F(41a) F(42) 66.9(9)
N(12) B(10) N(32) 108.1(4)
F(41) F(41a) F(43) 75.1(10)
N(22) B(10) N(32) 109.7(4)
F(41) F(41a) F(42a) 11.2(7)
Pt(1) N(11) N(12) 122.8(3)
F(41) F(41a) F(43a) 48.8(5)
Pt(1) N(11) C(15) 129.7(3)
F(42) F(41a) F(43) 141.8(14)
N(12) N(11) C(15) 106.9(4)
F(42) F(41a) F(42a) 55.9(9)
B(10) N(12) N(11) 122.3(3)
F(42) F(41a) F(43a) 115.4(10)
B(10) N(12) C(13) 128.8(4)
F(43) F(41a) F(42a) 86.1(10)
N(11) N(12) C(13) 108.7(4)
F(43) F(41a) F(43a) 27.6(7)
N(12) C(13) C(14) 107.4(4)
F(42a) F(41a) F(43a) 59.6(6)
N(12) C(13) C(16) 123.2(5)
C(47) F(42a) F(41) 81(3)
C(14) C(13) C(16) 129.4(5)
C(47) F(42a) F(42) 57.2(8)
C(13) C(14) C(15) 107.5(4)
C(47) F(42a) F(41a) 31.8(5)
N(11) C(15) C(14) 109.5(4)
C(47) F(42a) F(43a) 42.6(6)
N(11) C(15) C(17) 122.4(5)
F(41) F(42a) F(42) 129(3)
C(14) C(15) C(17) 128.1(5)
F(41) F(42a) F(41a) 98(3)
Pt(1) N(21) N(22) 122.0(3)
F(41) F(42a) F(43a) 39.6(25)
Pt(1) N(21) C(25) 129.2(4)
F(42) F(42a) F(41a) 31.3(6)
N(22) N(21) C(25) 108.1(4)
F(42) F(42a) F(43a) 92.7(8)
B(10) N(22) N(21) 122.9(4)
F(41a) F(42a) F(43a) 61.5(6)
B(10) N(22) C(23) 129.0(4)
C(47) F(43a) F(41) 45.4(6)
N(21) N(22) C(23) 108.2(4)
C(47) F(43a) F(43) 54.7(7)
N(22) C(23) C(24) 107.7(5)
C(47) F(43a) F(41a) 32.6(6)
N(22) C(23) C(26) 122.4(5)
C(47) F(43a) F(42a) 36.7(6)
C(24) C(23) C(26) 129.9(5)
F(41) F(43a) F(43) 89.0(7)
C(23) C(24) C(25) 107.6(5)
F(41) F(43a) F(41a) 67.2(7)
N(21) C(25) C(24) 108.4(5)
F(41) F(43a) F(42a) 8.8(7)
N(21) C(25) C(27) 123.2(5)
F(43) F(43a) F(41a) 23.0(6)
C(24) C(25) C(27) 128.4(5)
F(43) F(43a) F(42a) 81.2(6)
N(32) N(31) C(35) 110.6(4)
F(41a) F(43a) F(42a) 59.0(6)
B(10) N(32) N(31) 119.4(3)
C(48) F(44) F(45) 38.4(4)
B(10) N(32) C(33) 131.8(4)
C(48) F(44) F(46) 37.9(4)
N(31) N(32) C(33) 106.6(4)
F(45) F(44) F(46) 60.3(3)
N(32) C(33) C(34) 108.5(4)
C(48) F(45) F(44) 38.3(4)
N(32) C(33) C(36) 123.9(4)
C(48) F(45) F(46) 37.2(4)
C(34) C(33) C(36) 127.5(4)
F(44) F(45) F(46) 59.2(3)
C(33) C(34) C(35) 106.8(4)
C(48) F(46) F(44) 38.9(3)
N(31) C(35) C(34) 107.5(4)
C(48) F(46) F(45) 38.2(4)
N(31) C(35) C(37) 120.4(5)
F(44) F(46) F(45) 60.5(3)
C(34) C(35) C(37) 132.1(5)
C(57) F(51) F(52) 37.03(2)
C(41) B(40) C(51) 105.1(3)
C(57) F(51) F(53) 36.7(3)
C(41) B(40) C(61) 110.3(4)
F(52) F(51) F(53) 59.37(1)
C(41) B(40) C(71) 113.9(3)
C(57) F(52) F(51) 37.10(2)
C(51) B(40) C(61) 115.4(3)
C(57) F(52) F(53) 37.8(3)
C(51) B(40) C(71) 110.4(4)
F(51) F(52) F(53) 60.96(1)
C(61) B(40) C(71) 102.0(3)
C(57) F(53) F(51) 36.29(2)
B(40) C(41) C(42) 119.9(4)
C(57) F(53) F(52) 37.40(2)
B(40) C(41) C(46) 123.1(4)
F(51) F(53) F(52) 59.67(1)
C(42) C(41) C(46) 116.8(4)
C(58) F(54) F(55) 41.5(4)
C(41) C(42) C(43) 121.5(4)
C(58) F(54) F(56) 34.6(4)
C(42) C(43) C(44) 121.0(5)
F(55) F(54) F(56) 60.0(3)
C(42) C(43) C(47) 119.6(4)
C(58) F(55) F(54) 39.0(4)
C(44) C(43) C(47) 119.3(4)
C(58) F(55) F(56) 37.0(4)
C(43) C(44) C(45) 118.2(4)
F(54) F(55) F(56) 62.1(4)
C(44) C(45) C(46) 120.9(4)
C(58) F(56) F(54) 35.0(5)
C(44) C(45) C(48) 119.8(4)
C(58) F(56) F(55) 39.8(4)
C(46) C(45) C(48) 119.3(5)
F(54) F(56) F(55) 57.9(3)
C(41) C(46) C(45) 121.5(4)
C(67) F(61) F(62) 37.1(4)
C(43) C(47) F(41) 115.6(10)
C(67) F(61) F(63) 38.5(3)
C(43) C(47) F(42) 108.9(6)
F(62) F(61) F(63) 59.2(4)
C(43) C(47) F(43) 118.7(11)
C(67) F(62) F(61) 37.9(3)
C(43) C(47) F(41a) 114.6(7)
C(67) F(62) F(63) 39.2(3)
C(43) C(47) F(42a) 111.8(9)
F(61) F(62) F(63) 60.59(2)
C(43) C(47) F(43a) 106.8(5)
C(67) F(63) F(61) 38.0(3)
F(41) C(47) F(42) 93.5(10)
C(67) F(63) F(62) 37.9(4)
F(41) C(47) F(43) 117.8(15)
F(61) F(63) F(62) 60.2(3)
F(41) C(47) F(41a) 123.3(10)
C(68) F(64) F(65) 34.1(7)
F(41) C(47) F(42a) 19.3(11)
C(68) F(64) F(66) 37.8(9)
F(41) C(47) F(43a) 81.6(10)
C(68) F(64) F(64a) 51.1(11)
F(42) C(47) F(43) 95.6(8)
C(68) F(64) F(66a) 48.9(14)
F(42) C(47) F(41a) 45.8(9)
F(65) F(64) F(66) 60.0(12)
F(42) C(47) F(42a) 76.8(10)
F(65) F(64) F(64a) 19.3(11)
F(42) C(47) F(43a) 142.3(8)
F(65) F(64) F(66a) 72.5(15)
F(43) C(47) F(41a) 52.0(10)
F(66) F(64) F(64a) 79.3(15)
F(43) C(47) F(42a) 128.4(14)
F(66) F(64) F(66a) 12.5(14)
F(43) C(47) F(43a) 56.0(9)
F(64a) F(64) F(66a) 91.7(18)
F(41a) C(47) F(42a) 114.3(9)
C(68) F(65) F(64) 43.8(9)
F(41a) C(47) F(43a) 107.2(10)
C(68) F(65) F(66) 34.0(12)
F(42a) C(47) F(43a) 100.7(10)
C(68) F(65) F(64a) 68.6(21)
C(45) C(48) F(44) 114.9(7)
C(68) F(65) F(65a) 68.4(17)
C(45) C(48) F(45) 114.3(6)
C(68) F(65) F(66a) 26.9(15)
C(45) C(48) F(46) 115.0(5)
F(64) F(65) F(66) 59.4(11)
F(44) C(48) F(45) 103.3(7)
F(64) F(65) F(64a) 28.4(23)
F(44) C(48) F(46) 103.2(6)
F(64) F(65) F(65a) 106.6(19)
F(45) C(48) F(46) 104.6(6)
F(64) F(65) F(66a) 40.9(8)
B(40) C(51) C(52) 125.5(4)
F(66) F(65) F(64a) 87(3)
B(40) C(51) C(56) 119.3(4)
F(66) F(65) F(65a) 48.1(15)
C(52) C(51) C(56) 115.0(4)
F(66) F(65) F(66a) 18.5(8)
C(51) C(52) C(53) 121.5(4)
F(64a) F(65) F(65a) 134(3)
C(52) C(53) C(54) 121.8(4)
F(64a) F(65) F(66a) 69(3)
C(52) C(53) C(57) 121.9(4)
F(65a) F(65) F(66a) 66.3(16)
C(54) C(53) C(57) 116.3(4)
C(68) F(66) F(64) 45.3(8)
C(53) C(54) C(55) 117.4(4)
C(68) F(66) F(65) 31.7(11)
C(54) C(55) C(56) 121.2(5)
C(68) F(66) F(65a) 58.6(16)
C(54) C(55) C(58) 119.6(5)
C(68) F(66) F(66a) 70(3)
C(56) C(55) C(58) 119.2(4)
F(64) F(66) F(65) 60.6(9)
C(51) C(56) C(55) 123.0(4)
F(64) F(66) F(65a) 98.3(14)
C(53) C(57) F(51) 112.5(4)
F(64) F(66) F(66a) 28(3)
C(53) C(57) F(52) 112.9(4)
F(65) F(66) F(65a) 38.3(10)
C(53) C(57) F(53) 113.1(4)
F(65) F(66) F(66a) 88(3)
F(51) C(57) F(52) 105.9(4)
F(65a) F(66) F(66a) 126(4)
F(51) C(57) F(53) 107.1(4)
C(68) F(64a) F(64) 70.2(19)
F(52) C(57) F(53) 104.8(4)
C(68) F(64a) F(65) 65.9(15)
C(55) C(58) F(54) 113.9(6)
C(68) F(64a) F(65a) 41.5(12)
C(55) C(58) F(55) 112.3(7)
C(68) F(64a) F(66a) 33.9(14)
C(55) C(58) F(56) 115.8(5)
F(64) F(64a) F(65) 132(3)
F(54) C(58) F(55) 99.6(6)
F(64) F(64a) F(65a) 106.0(17)
F(54) C(58) F(56) 110.3(8)
F(64) F(64a) F(66a) 47.1(13)
F(55) C(58) F(56) 103.2(6)
F(65) F(64a) F(65a) 26.3(18)
B(40) C(61) C(62) 123.0(4)
F(65) F(64a) F(66a) 85.3(24)
B(40) C(61) C(66) 121.1(4)
F(65a) F(64a) F(66a) 59.5(10)
C(62) C(61) C(66) 115.1(4)
C(68) F(65a) F(65) 52.7(12)
C(61) C(62) C(63) 122.3(4)
C(68) F(65a) F(66) 50.9(11)
C(62) C(63) C(64) 121.0(4)
C(68) F(65a) F(64a) 35.3(10)
C(62) C(63) C(67) 119.9(4)
C(68) F(65a) F(66a) 36.4(10)
C(64) C(63) C(67) 119.1(4)
F(65) F(65a) F(66) 93.6(21)
C(63) C(64) C(65) 118.3(5)
F(65) F(65a) F(64a) 18.8(16)
C(64) C(65) C(66) 120.6(5)
F(65) F(65a) F(66a) 78.1(18)
C(64) C(65) C(68) 119.8(5)
F(66) F(65a) F(64a) 75.4(17)
C(66) C(65) C(68) 119.6(5)
F(66) F(65a) F(66a) 15.8(10)
C(61) C(66) C(65) 122.7(4)
F(64a) F(65a) F(66a) 59.7(15)
C(63) C(67) F(61) 115.3(5)
C(68) F(66a) F(64) 65.0(14)
C(63) C(67) F(62) 115.3(5)
C(68) F(66a) F(65) 26.2(11)
C(63) C(67) F(63) 113.5(5)
C(68) F(66a) F(66) 77(4)
F(61) C(67) F(62) 105.0(6)
C(68) F(66a) F(64a) 33.7(10)
F(61) C(67) F(63) 103.5(5)
C(68) F(66a) F(65a) 42.6(10)
F(62) C(67) F(63) 102.8(6)
F(64) F(66a) F(65) 66.6(14)
C(65) C(68) F(64) 107.4(11)
F(64) F(66a) F(66) 139(4)
C(65) C(68) F(65) 117.8(21)
F(64) F(66a) F(64a) 41.2(14)
C(65) C(68) F(66) 114.9(11)
F(64) F(66a) F(65a) 101.6(18)
C(65) C(68) F(64a) 116.1(10)
F(65) F(66a) F(66) 72(3)
C(65) C(68) F(65a) 106.8(10)
F(65) F(66a) F(64a) 25.4(11)
C(65) C(68) F(66a) 115.0(14)
F(65) F(66a) F(65a) 35.6(7)
F(64) C(68) F(65) 102.1(14)
F(66) F(66a) F(64a) 98(4)
F(64) C(68) F(66) 96.9(15)
F(66) F(66a) F(65a) 37(3)
F(64) C(68) F(64a) 58.7(20)
F(64a) F(66a) F(65a) 60.8(13)
F(64) C(68) F(65a) 145.7(14)
C(77) F(71) F(72) 37.9(3)
F(64) C(68) F(66a) 66.1(11)
C(77) F(71) F(73) 36.8(3)
F(65) C(68) F(66) 114.2(21)
F(72) F(71) F(73) 60.66(1)
F(65) C(68) F(64a) 45.5(19)
C(77) F(72) F(71) 38.2(3)
F(65) C(68) F(65a) 58.9(11)
C(77) F(72) F(73) 36.1(3)
F(65) C(68) F(66a) 126.9(24)
F(71) F(72) F(73) 59.93(1)
F(66) C(68) F(64a) 128.0(15)
C(77) F(73) F(71) 37.6(3)
F(66) C(68) F(65a) 70.5(13)
C(77) F(73) F(72) 36.6(3)
F(66) C(68) F(66a) 31.9(15)
F(71) F(73) F(72) 59.41(1)
F(64a) C(68) F(65a) 103.3(18)
C(78) F(74) F(75) 39.2(10)
F(64a) C(68) F(66a) 112.4(21)
C(78) F(74) F(76) 35.6(11)
F(65a) C(68) F(66a) 100.9(10)
C(78) F(74) F(75a) 52.2(13)
B(40) C(71) C(72) 120.5(4)
C(78) F(74) F(76a) 73(3)
B(40) C(71) C(76) 122.6(4)
F(75) F(74) F(76) 59.7(14)
C(72) C(71) C(76) 116.6(4)
F(75) F(74) F(75a) 78.9(17)
C(71) C(72) C(73) 121.7(4)
F(75) F(74) F(76a) 42(3)
C(72) C(73) C(74) 121.0(4)
F(76) F(74) F(75a) 19.3(12)
C(72) C(73) C(77) 120.4(4)
F(76) F(74) F(76a) 102(3)
C(74) C(73) C(77) 118.6(4)
F(75a) F(74) F(76a) 121(4)
C(73) C(74) C(75) 117.7(4)
C(78) F(75) F(74) 38.5(8)
C(74) C(75) C(76) 121.8(4)
C(78) F(75) F(76) 38.0(9)
C(74) C(75) C(78) 119.0(4)
C(78) F(75) F(74a) 70.6(24)
C(76) C(75) C(78) 119.1(4)
C(78) F(75) F(76a) 52.9(10)
C(71) C(76) C(75) 121.1(4)
F(74) F(75) F(76) 62.4(10)
C(73) C(77) F(71) 112.8(4)
F(74) F(75) F(74a) 103.2(24)
C(73) C(77) F(72) 113.1(4)
F(74) F(75) F(76a) 18.8(11)
C(73) C(77) F(73) 113.3(5)
F(76) F(75) F(74a) 41.3(21)
F(71) C(77) F(72) 104.0(4)
F(76) F(75) F(76a) 81.1(13)
F(71) C(77) F(73) 105.6(4)
F(74a) F(75) F(76a) 121(3)
F(72) C(77) F(73) 107.3(5)
C(78) F(76) F(74) 35.1(8)
C(75) C(78) F(74) 113.6(10)
C(78) F(76) F(75) 38.0(10)
C(75) C(78) F(75) 115.0(9)
C(78) F(76) F(74a) 52.7(16)
C(75) C(78) F(76) 111.8(10)
C(78) F(76) F(75a) 70.4(25)
C(75) C(78) F(74a) 110.2(11)
F(74) F(76) F(75) 57.9(9)
C(75) C(78) F(75a) 114.8(10)
F(74) F(76) F(74a) 77.6(15)
C(75) C(78) F(76a) 111.4(11)
F(74) F(76) F(75a) 39(3)
F(74) C(78) F(75) 102.3(13)
F(75) F(76) F(74a) 19.9(13)
F(74) C(78) F(76) 109.3(16)
F(75) F(76) F(75a) 97(3)
F(74) C(78) F(74a) 130.4(15)
F(74a) F(76) F(75a) 117(3)
F(74) C(78) F(75a) 75.5(12)
C(78) F(74a) F(75) 73(3)
F(74) C(78) F(76a) 33.3(17)
C(78) F(74a) F(76) 53.8(10)
F(75) C(78) F(76) 104.0(15)
C(78) F(74a) F(75a) 36.9(9)
F(75) C(78) F(74a) 35.9(16)
C(78) F(74a) F(76a) 36.1(11)
F(75) C(78) F(75a) 126.0(12)
F(75) F(74a) F(76) 118(3)
F(75) C(78) F(76a) 73.6(17)
F(75) F(74a) F(75a) 98(3)
F(76) C(78) F(74a) 73.5(17)
F(75) F(74a) F(76a) 39.6(20)
F(76) C(78) F(75a) 36.7(15)
F(76) F(74a) F(75a) 20.7(11)
F(76) C(78) F(76a) 132.7(17)
F(76) F(74a) F(76a) 80.3(16)
F(74a) C(78) F(75a) 106.1(12)
F(75a) F(74a) F(76a) 59.6(13)
F(74a) C(78) F(76a) 108.1(19)
C(78) F(75a) F(74) 52.3(15)
F(75a) C(78) F(76a) 105.9(18)
C(78) F(75a) F(76) 72(3)
C(47) F(41) F(42) 47.3(7)
C(78) F(75a) F(74a) 36.9(10)
C(47) F(41) F(43) 30.7(9)
C(78) F(75a) F(76a) 37.2(13)
C(47) F(41) F(41a) 27.3(6)
F(74) F(75a) F(76) 120(4)
C(47) F(41) F(42a) 79(3)
F(74) F(75a) F(74a) 78.9(18)
C(47) F(41) F(43a) 53.1(7)
F(74) F(75a) F(76a) 17.9(14)
F(42) F(41) F(43) 58.0(7)
F(76) F(75a) F(74a) 42(3)
F(42) F(41) F(41a) 29.4(6)
F(76) F(75a) F(76a) 103(3)
F(42) F(41) F(42a) 41(3)
F(74a) F(75a) F(76a) 61.0(16)
F(42) F(41) F(43a) 93.3(8)
C(78) F(76a) F(74) 72(3)
F(43) F(41) F(41a) 28.6(6)
C(78) F(76a) F(75) 53.5(15)
F(43) F(41) F(42a) 98(3)
C(78) F(76a) F(74a) 35.8(11)
F(43) F(41) F(43a) 36.0(5)
C(78) F(76a) F(75a) 36.9(9)
F(41a) F(41) F(42a) 69(3)
F(74) F(76a) F(75) 118(3)
F(41a) F(41) F(43a) 64.0(6)
F(74) F(76a) F(74a) 100(3)
F(42a) F(41) F(43a) 131(3)
F(74) F(76a) F(75a) 40(3)
C(47) F(42) F(41) 39.3(5)
F(75) F(76a) F(74a) 19.1(12)
C(47) F(42) F(43) 37.8(5)
F(75) F(76a) F(75a) 78.0(14)
C(47) F(42) F(41a) 52.9(7)
F(74a) F(76a) F(75a) 59.4(9)
C(47) F(42) F(42a) 46.0(7)
C(82) O(81) C(85) 108.4(5)
F(41) F(42) F(43) 64.7(7)
O(81) C(82) C(83) 109.8(7)
F(41) F(42) F(41a) 83.7(9)
C(82) C(83) C(84) 106.5(6)
F(41) F(42) F(42a) 9.4(7)
C(83) C(84) C(85) 102.9(6)
F(43) F(42) F(41a) 19.1(7)
O(81) C(85) C(84) 105.3(5)
F(43) F(42) F(42a) 73.9(8)
C(92) O(91) C(95) 100.2(19)
F(41a) F(42) F(42a) 92.8(9)
O(91) C(92) C(93) 86.1(16)
C(47) F(43) F(41) 31.4(8)
C(92) C(93) C(94) 94.1(25)
C(47) F(43) F(42) 46.6(6)
C(93) C(94) C(95) 100.0(21)
C(47) F(43) F(41a) 61.4(10)
O(91) C(95) C(94) 99.2(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt(1) Si(1) 2.3488(16)
C(68) F(65a) 1.41(3)
Pt(1) N(11) 2.090(4)
C(68) F(66a) 1.23(4)
Pt(1) N(21) 2.102(4)
C(71) C(72) 1.395(6)
Si(1) C(1) 1.877(9)
C(71) C(76) 1.414(6)
Si(1) C(3) 1.878(6)
C(72) C(73) 1.385(6)
Si(1) C(5) 1.909(10)
C(73) C(74) 1.403(7)
C(1) C(2) 1.317(14)
C(73) C(77) 1.499(7)
C(3) C(4) 1.480(11)
C(74) C(75) 1.373(7)
C(5) C(6) 1.386(19)
C(75) C(76) 1.387(6)
B(10) N(12) 1.536(6)
C(75) C(78) 1.515(7)
B(10) N(22) 1.527(7)
C(77) F(71) 1.325(6)
B(10) N(32) 1.577(6)
C(77) F(72) 1.316(6)
N(11) N(12) 1.373(5)
C(77) F(73) 1.301(7)
N(11) C(15) 1.345(6)
C(78) F(74) 1.27(3)
N(12) C(13) 1.364(6)
C(78) F(75) 1.293(20)
C(13) C(14) 1.365(7)
C(78) F(76) 1.291(20)
C(13) C(16) 1.490(8)
C(78) F(74a) 1.27(3)
C(14) C(15) 1.365(8)
C(78) F(75a) 1.27(3)
C(15) C(17) 1.490(7)
C(78) F(76a) 1.282(23)
N(21) N(22) 1.373(5)
F(41) F(42) 2.008(19)
N(21) C(25) 1.335(6)
F(41) F(43) 2.158(19)
N(22) C(23) 1.371(6)
F(41) F(41a) 2.170(18)
C(23) C(24) 1.355(9)
F(41) F(42a) 0.425(24)
C(23) C(26) 1.488(8)
F(41) F(43a) 1.770(18)
C(24) C(25) 1.391(8)
F(42) F(43) 2.025(16)
C(25) C(27) 1.462(9)
F(42) F(41a) 1.072(20)
N(31) N(32) 1.359(5)
F(42) F(42a) 1.711(20)
N(31) C(35) 1.333(6)
F(43) F(41a) 1.071(19)
N(32) C(33) 1.351(6)
F(43) F(43a) 1.267(18)
C(33) C(34) 1.388(7)
F(41a) F(42a) 2.064(18)
C(33) C(36) 1.478(8)
F(41a) F(43a) 2.115(11)
C(34) C(35) 1.370(8)
F(42a) F(43a) 2.076(17)
C(35) C(37) 1.511(8)
F(44) F(45) 2.006(10)
B(40) C(41) 1.656(6)
F(44) F(46) 1.981(6)
B(40) C(51) 1.621(6)
F(45) F(46) 2.003(8)
B(40) C(61) 1.641(6)
F(51) F(52) 2.128(5)
B(40) C(71) 1.645(6)
F(51) F(53) 2.155(5)
C(41) C(42) 1.397(6)
F(52) F(53) 2.121(5)
C(41) C(46) 1.388(6)
F(54) F(55) 1.995(10)
C(42) C(43) 1.387(6)
F(54) F(56) 2.080(9)
C(43) C(44) 1.381(7)
F(55) F(56) 2.038(8)
C(43) C(47) 1.514(8)
F(61) F(62) 2.024(8)
C(44) C(45) 1.380(8)
F(61) F(63) 2.032(7)
C(45) C(46) 1.396(6)
F(62) F(63) 2.004(10)
C(45) C(48) 1.474(9)
F(64) F(65) 2.10(3)
C(47) F(41) 1.273(14)
F(64) F(66) 2.07(3)
C(47) F(42) 1.477(11)
F(64) F(64a) 1.35(5)
C(47) F(43) 1.247(11)
F(64) F(66a) 1.50(3)
C(47) F(41a) 1.193(13)
F(65) F(66) 2.08(4)
C(47) F(42a) 1.264(17)
F(65) F(64a) 0.94(4)
C(47) F(43a) 1.430(9)
F(65) F(65a) 1.295(24)
C(48) F(44) 1.277(7)
F(65) F(66a) 2.18(4)
C(48) F(45) 1.281(8)
F(66) F(65a) 1.55(4)
C(48) F(46) 1.251(9)
F(66) F(66a) 0.69(3)
C(51) C(52) 1.415(6)
F(64a) F(65a) 2.07(3)
C(51) C(56) 1.406(6)
F(64a) F(66a) 2.04(4)
C(52) C(53) 1.396(6)
F(65a) F(66a) 2.04(4)
C(53) C(54) 1.389(7)
F(71) F(72) 2.081(5)
C(53) C(57) 1.499(7)
F(71) F(73) 2.092(6)
C(54) C(55) 1.384(7)
F(72) F(73) 2.107(6)
C(55) C(56) 1.385(6)
F(74) F(75) 2.00(3)
C(55) C(58) 1.478(8)
F(74) F(76) 2.09(3)
C(57) F(51) 1.335(6)
F(74) F(75a) 1.56(4)
C(57) F(52) 1.332(6)
F(74) F(76a) 0.73(4)
C(57) F(53) 1.346(7)
F(75) F(76) 2.04(4)
C(58) F(54) 1.273(11)
F(75) F(74a) 0.79(4)
C(58) F(55) 1.339(10)
F(75) F(76a) 1.54(4)
C(58) F(56) 1.261(8)
F(76) F(74a) 1.53(4)
C(61) C(62) 1.408(6)
F(76) F(75a) 0.81(3)
C(61) C(66) 1.397(6)
F(74a) F(75a) 2.03(3)
C(62) C(63) 1.385(6)
F(74a) F(76a) 2.07(4)
C(63) C(64) 1.385(7)
F(75a) F(76a) 2.04(4)
C(63) C(67) 1.483(7)
O(81) C(82) 1.436(8)
C(64) C(65) 1.376(7)
O(81) C(85) 1.411(8)
C(65) C(66) 1.393(7)
C(82) C(83) 1.405(11)
C(65) C(68) 1.499(9)
C(83) C(84) 1.502(12)
C(67) F(61) 1.288(8)
C(84) C(85) 1.521(11)
C(67) F(62) 1.264(7)
O(91) C(92) 1.413(19)
C(67) F(63) 1.300(7)
O(91) C(95) 1.31(3)
C(68) F(64) 1.484(18)
C(92) C(93) 1.64(3)
C(68) F(65) 1.202(17)
C(93) C(94) 1.13(4)
C(68) F(66) 1.278(21)
C(94) C(95) 1.65(4)
C(68) F(64a) 1.226(22)