#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/66/7016652.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_7016652
loop_
_publ_author_name
'Martínez-Salvador, Sonia'
'Alonso, Pablo J.'
'Forniés, Juan'
'Martín, Antonio'
'Menjón, Babil'
_publ_section_title
;
 Efficient and stereoselective syntheses of isomeric
 trifluoromethyl-platinum(iv) chlorides.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10440
_journal_page_last               10447
_journal_paper_doi               10.1039/c1dt10557d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C54.75 H47.5 Cl3 F9 O1.25 P2 Pt'
_chemical_formula_weight         1259.81
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.1520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.7396(2)
_cell_length_b                   13.0013(2)
_cell_length_c                   40.0065(6)
_cell_measurement_reflns_used    34983
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8605
_cell_measurement_theta_min      4.1431
_cell_volume                     10265.2(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_details
;
1 omega -93.00 1.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -37.0000 -90.0000 94

2 omega -90.00 -3.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -37.0000 -180.0000 87

3 omega 1.00 27.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 -37.0000 -180.0000 26

4 omega 50.00 87.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 -138.0000 126.0000 37

5 omega -92.00 13.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -77.0000 90.0000 105

6 omega -102.00 -32.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 179.0000 60.0000 70

7 omega -102.00 -32.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 179.0000 -150.0000 70

8 omega -11.00 50.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 77.0000 30.0000 61

9 omega 34.00 102.00 1.0000 30.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 179.0000 150.0000 68

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      -0.0133670000
_diffrn_orient_matrix_UB_12      0.0013278000
_diffrn_orient_matrix_UB_13      0.0163144000
_diffrn_orient_matrix_UB_21      0.0333590000
_diffrn_orient_matrix_UB_22      0.0010376000
_diffrn_orient_matrix_UB_23      0.0069203000
_diffrn_orient_matrix_UB_31      -0.0003131000
_diffrn_orient_matrix_UB_32      0.0545441000
_diffrn_orient_matrix_UB_33      -0.0005301000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_sigmaI/netI    0.0931
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            116092
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.92
_diffrn_reflns_theta_min         4.16
_exptl_absorpt_coefficient_mu    3.025
_exptl_absorpt_correction_T_max  0.8393
_exptl_absorpt_correction_T_min  0.3430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5008
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.191
_refine_diff_density_min         -3.170
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1348
_refine_ls_number_reflns         24566
_refine_ls_number_restraints     71
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0590P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1127
_refine_ls_wR_factor_ref         0.1209
_reflns_number_gt                16309
_reflns_number_total             24566
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10557d.txt
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C54.75 H47.50 Cl3 F9 O1.25 P2 Pt'
_cod_database_code               7016652
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.329677(11) 0.483173(17) 0.380883(5) 0.01682(6) Uani 1 1 d D . .
Cl1 Cl 0.38372(7) 0.54675(10) 0.33168(3) 0.0187(3) Uani 1 1 d . A .
Cl2 Cl 0.31091(12) 0.66333(16) 0.39588(5) 0.0180(4) Uani 0.80 1 d PD A 1
C2' C 0.2940(11) 0.6212(11) 0.3932(5) 0.041(13) Uani 0.20 1 d PDU A 2
F4' F 0.3494(10) 0.6766(13) 0.3936(4) 0.024(5) Uani 0.20 1 d PD A 2
F5' F 0.2464(12) 0.6569(16) 0.3741(5) 0.076(8) Uani 0.20 1 d PD A 2
F6' F 0.2748(9) 0.6155(12) 0.4253(4) 0.037(5) Uani 0.20 1 d PD A 2
Cl3 Cl 0.43931(13) 0.49711(18) 0.41009(6) 0.0274(5) Uani 0.70 1 d P A 1
C3' C 0.4106(10) 0.4725(13) 0.4090(4) 0.025(6) Uani 0.30 1 d PDU A 2
F7' F 0.4188(6) 0.5553(7) 0.4298(2) 0.0245(12) Uani 0.30 1 d PDU A 2
F8' F 0.4236(5) 0.3951(7) 0.4296(3) 0.0223(10) Uani 0.30 1 d PD A 2
F9' F 0.4709(5) 0.4708(7) 0.3913(3) 0.0237(10) Uani 0.30 1 d PD A 2
C1 C 0.2790(4) 0.4446(5) 0.42279(18) 0.0420(19) Uani 1 1 d D A .
F1 F 0.2195(2) 0.4958(3) 0.42551(10) 0.0504(11) Uani 1 1 d D . .
F2 F 0.2621(2) 0.3462(3) 0.42482(11) 0.0575(13) Uani 1 1 d D . .
F3 F 0.3123(2) 0.4673(4) 0.45206(9) 0.0593(13) Uani 1 1 d D . .
C2 C 0.3524(5) 0.3357(7) 0.3730(2) 0.025(2) Uani 0.80 1 d PDU A 1
F4 F 0.4010(3) 0.3226(3) 0.34869(11) 0.0280(12) Uani 0.80 1 d P A 1
F5 F 0.3749(2) 0.2814(3) 0.39824(10) 0.0282(10) Uani 0.80 1 d P A 1
F6 F 0.2995(2) 0.2793(3) 0.35958(11) 0.0316(11) Uani 0.80 1 d P A 1
Cl2' Cl 0.3623(6) 0.3112(5) 0.3593(2) 0.029(2) Uani 0.20 1 d PD A 2
C3 C 0.2436(5) 0.4822(7) 0.3539(2) 0.012(2) Uani 0.70 1 d PU A 1
F7 F 0.2513(3) 0.4379(4) 0.32216(13) 0.0245(12) Uani 0.70 1 d P A 1
F8 F 0.1946(2) 0.4158(3) 0.36741(11) 0.0223(10) Uani 0.70 1 d P A 1
F9 F 0.2109(2) 0.5678(3) 0.34894(11) 0.0237(10) Uani 0.70 1 d P A 1
Cl3' Cl 0.2321(4) 0.4546(6) 0.3418(3) 0.061(3) Uani 0.30 1 d PD A 2
Pt2 Pt 0.177456(11) 0.527200(17) 0.125806(5) 0.01937(7) Uani 1 1 d . . .
Cl4 Cl 0.21534(7) 0.46460(11) 0.17973(3) 0.0229(3) Uani 1 1 d . . .
Cl5 Cl 0.21042(8) 0.36209(12) 0.10383(4) 0.0319(4) Uani 1 1 d . . .
Cl6 Cl 0.29217(9) 0.58851(12) 0.11714(4) 0.0346(4) Uani 1 1 d . . .
F10 F 0.1715(3) 0.6773(3) 0.07397(10) 0.0732(17) Uani 1 1 d . . .
F11 F 0.1813(3) 0.5250(3) 0.05414(11) 0.0728(16) Uani 1 1 d . . .
F12 F 0.0884(3) 0.5770(4) 0.07067(12) 0.0740(16) Uani 1 1 d . . .
F13 F 0.1067(3) 0.7183(4) 0.12956(14) 0.0843(18) Uani 1 1 d . . .
F14 F 0.1981(3) 0.7180(4) 0.15871(15) 0.0885(17) Uani 1 1 d U . .
F15 F 0.1103(2) 0.6424(3) 0.17575(11) 0.0548(12) Uani 1 1 d . . .
F16 F 0.0333(2) 0.5328(3) 0.13415(12) 0.0619(13) Uani 1 1 d . . .
F17 F 0.0771(2) 0.4011(4) 0.15593(11) 0.0572(13) Uani 1 1 d . . .
F18 F 0.0620(2) 0.4052(3) 0.10472(11) 0.0512(11) Uani 1 1 d . . .
C4 C 0.1515(4) 0.5830(5) 0.07942(18) 0.0413(19) Uani 1 1 d . . .
C5 C 0.1495(4) 0.6592(6) 0.1481(2) 0.046(2) Uani 1 1 d . . .
C6 C 0.0805(3) 0.4635(5) 0.13232(17) 0.0345(16) Uani 1 1 d U . .
P1 P 0.57669(7) 0.54261(9) 0.23728(3) 0.0111(3) Uani 1 1 d . . .
C7 C 0.6086(3) 0.4859(4) 0.19972(12) 0.0130(11) Uani 1 1 d . . .
C8 C 0.6355(3) 0.5491(4) 0.17508(14) 0.0209(13) Uani 1 1 d . . .
H8 H 0.6414 0.6206 0.1791 0.025 Uiso 1 1 calc R . .
C9 C 0.6533(3) 0.5071(4) 0.14508(15) 0.0267(14) Uani 1 1 d . . .
H9 H 0.6711 0.5501 0.1282 0.032 Uiso 1 1 calc R . .
C10 C 0.6457(3) 0.4034(4) 0.13914(14) 0.0211(13) Uani 1 1 d . . .
H10 H 0.6582 0.3752 0.1182 0.025 Uiso 1 1 calc R . .
C11 C 0.6199(3) 0.3403(4) 0.16350(14) 0.0176(12) Uani 1 1 d . . .
H11 H 0.6153 0.2685 0.1595 0.021 Uiso 1 1 calc R . .
C12 C 0.6007(3) 0.3816(4) 0.19371(13) 0.0157(12) Uani 1 1 d . . .
H12 H 0.5821 0.3385 0.2104 0.019 Uiso 1 1 calc R . .
C13 C 0.5915(3) 0.4561(4) 0.27197(12) 0.0130(11) Uani 1 1 d . . .
C14 C 0.5432(3) 0.4472(4) 0.29710(13) 0.0172(12) Uani 1 1 d . . .
H14 H 0.5017 0.4840 0.2955 0.021 Uiso 1 1 calc R . .
C15 C 0.5573(3) 0.3837(4) 0.32428(14) 0.0231(14) Uani 1 1 d . . .
H15 H 0.5254 0.3777 0.3416 0.028 Uiso 1 1 calc R . .
C16 C 0.6176(3) 0.3291(4) 0.32640(14) 0.0239(14) Uani 1 1 d . . .
H16 H 0.6265 0.2851 0.3449 0.029 Uiso 1 1 calc R . .
C17 C 0.6642(3) 0.3387(4) 0.30189(14) 0.0177(12) Uani 1 1 d . . .
H17 H 0.7054 0.3013 0.3037 0.021 Uiso 1 1 calc R . .
C18 C 0.6525(3) 0.4016(4) 0.27452(13) 0.0162(12) Uani 1 1 d . . .
H18 H 0.6855 0.4078 0.2577 0.019 Uiso 1 1 calc R . .
C19 C 0.4881(3) 0.5661(4) 0.23062(13) 0.0118(11) Uani 1 1 d . . .
C20 C 0.4524(3) 0.6249(4) 0.25423(13) 0.0164(12) Uani 1 1 d . . .
H20 H 0.4757 0.6545 0.2729 0.020 Uiso 1 1 calc R . .
C21 C 0.3836(3) 0.6388(4) 0.25005(14) 0.0170(12) Uani 1 1 d . . .
H21 H 0.3591 0.6761 0.2663 0.020 Uiso 1 1 calc R . .
C22 C 0.3498(3) 0.5985(4) 0.22227(14) 0.0174(12) Uani 1 1 d . . .
H22 H 0.3024 0.6095 0.2194 0.021 Uiso 1 1 calc R . .
C23 C 0.3847(3) 0.5422(4) 0.19867(14) 0.0202(12) Uani 1 1 d . . .
H23 H 0.3614 0.5150 0.1796 0.024 Uiso 1 1 calc R . .
C24 C 0.4540(3) 0.5258(4) 0.20305(13) 0.0170(11) Uani 1 1 d . . .
H24 H 0.4779 0.4867 0.1871 0.020 Uiso 1 1 calc R . .
C25 C 0.6186(3) 0.6627(4) 0.24502(12) 0.0115(11) Uani 1 1 d . . .
C26 C 0.5970(3) 0.7505(4) 0.22789(13) 0.0170(12) Uani 1 1 d . . .
H26 H 0.5580 0.7476 0.2136 0.020 Uiso 1 1 calc R . .
C27 C 0.6322(3) 0.8421(4) 0.23168(14) 0.0186(12) Uani 1 1 d . . .
H27 H 0.6184 0.9013 0.2194 0.022 Uiso 1 1 calc R . .
C28 C 0.6874(3) 0.8471(4) 0.25333(14) 0.0171(12) Uani 1 1 d . . .
H28 H 0.7106 0.9104 0.2565 0.021 Uiso 1 1 calc R . .
C29 C 0.7091(3) 0.7601(4) 0.27047(13) 0.0179(12) Uani 1 1 d . . .
H29 H 0.7477 0.7636 0.2850 0.021 Uiso 1 1 calc R . .
C30 C 0.6747(3) 0.6683(4) 0.26647(12) 0.0118(11) Uani 1 1 d U . .
H30 H 0.6894 0.6089 0.2784 0.014 Uiso 1 1 calc R . .
P2 P -0.13349(8) 0.51261(11) 0.45556(4) 0.0180(3) Uani 1 1 d . . .
C31 C -0.1289(3) 0.4063(4) 0.48401(13) 0.0193(12) Uani 1 1 d . . .
C32 C -0.0803(3) 0.3311(4) 0.48079(15) 0.0256(14) Uani 1 1 d . . .
H32 H -0.0463 0.3374 0.4644 0.031 Uiso 1 1 calc R . .
C33 C -0.0815(4) 0.2451(5) 0.50199(18) 0.0394(18) Uani 1 1 d . . .
H33 H -0.0487 0.1923 0.4997 0.047 Uiso 1 1 calc R . .
C34 C -0.1301(4) 0.2365(5) 0.52611(17) 0.0383(18) Uani 1 1 d . . .
H34 H -0.1305 0.1781 0.5404 0.046 Uiso 1 1 calc R . .
C35 C -0.1783(4) 0.3132(5) 0.52961(16) 0.0321(16) Uani 1 1 d . . .
H35 H -0.2111 0.3079 0.5466 0.038 Uiso 1 1 calc R . .
C36 C -0.1786(3) 0.3970(4) 0.50855(14) 0.0235(14) Uani 1 1 d . . .
H36 H -0.2124 0.4486 0.5106 0.028 Uiso 1 1 calc R . .
C37 C -0.0670(3) 0.4964(4) 0.42562(14) 0.0194(12) Uani 1 1 d . . .
C38 C -0.0796(3) 0.4408(4) 0.39638(14) 0.0251(14) Uani 1 1 d . . .
H38 H -0.1240 0.4171 0.3909 0.030 Uiso 1 1 calc R . .
C39 C -0.0266(4) 0.4209(5) 0.37561(17) 0.0341(17) Uani 1 1 d . . .
H39 H -0.0346 0.3838 0.3555 0.041 Uiso 1 1 calc R . .
C40 C 0.0374(4) 0.4539(5) 0.38356(17) 0.0360(17) Uani 1 1 d . . .
H40 H 0.0737 0.4374 0.3693 0.043 Uiso 1 1 calc R . .
C41 C 0.0502(3) 0.5117(5) 0.41245(17) 0.0372(17) Uani 1 1 d . . .
H41 H 0.0945 0.5365 0.4174 0.045 Uiso 1 1 calc R . .
C42 C -0.0023(3) 0.5323(5) 0.43360(15) 0.0270(14) Uani 1 1 d . . .
H42 H 0.0056 0.5707 0.4535 0.032 Uiso 1 1 calc R . .
C43 C -0.1188(3) 0.6327(4) 0.47626(14) 0.0197(13) Uani 1 1 d . . .
C44 C -0.1180(3) 0.6403(4) 0.51094(15) 0.0247(14) Uani 1 1 d . . .
H44 H -0.1248 0.5808 0.5242 0.030 Uiso 1 1 calc R . .
C45 C -0.1070(4) 0.7355(5) 0.52607(18) 0.0371(17) Uani 1 1 d . . .
H45 H -0.1064 0.7415 0.5497 0.045 Uiso 1 1 calc R . .
C46 C -0.0970(3) 0.8210(5) 0.50639(19) 0.0387(18) Uani 1 1 d . . .
H46 H -0.0896 0.8858 0.5168 0.046 Uiso 1 1 calc R . .
C47 C -0.0973(3) 0.8146(5) 0.47208(18) 0.0307(15) Uani 1 1 d . . .
H47 H -0.0903 0.8745 0.4590 0.037 Uiso 1 1 calc R . .
C48 C -0.1081(3) 0.7202(4) 0.45678(16) 0.0249(14) Uani 1 1 d . . .
H48 H -0.1082 0.7150 0.4331 0.030 Uiso 1 1 calc R . .
C49 C -0.2167(3) 0.5098(4) 0.43651(13) 0.0205(12) Uani 1 1 d . . .
C50 C -0.2541(3) 0.5988(5) 0.43055(14) 0.0247(14) Uani 1 1 d . . .
H50 H -0.2356 0.6639 0.4365 0.030 Uiso 1 1 calc R . .
C51 C -0.3178(3) 0.5930(5) 0.41606(16) 0.0311(15) Uani 1 1 d . . .
H51 H -0.3436 0.6538 0.4123 0.037 Uiso 1 1 calc R . .
C52 C -0.3443(3) 0.4971(5) 0.40697(16) 0.0347(16) Uani 1 1 d . . .
H52 H -0.3884 0.4927 0.3971 0.042 Uiso 1 1 calc R . .
C53 C -0.3071(3) 0.4092(5) 0.41225(14) 0.0255(14) Uani 1 1 d . . .
H53 H -0.3254 0.3445 0.4057 0.031 Uiso 1 1 calc R . .
C54 C -0.2443(3) 0.4139(4) 0.42673(14) 0.0224(13) Uani 1 1 d . . .
H54 H -0.2189 0.3527 0.4303 0.027 Uiso 1 1 calc R . .
P3 P 0.46393(7) 0.39751(10) 0.06617(3) 0.0152(3) Uani 1 1 d . . .
C55 C 0.4020(3) 0.3623(4) 0.03487(13) 0.0162(12) Uani 1 1 d . . .
C56 C 0.4185(3) 0.3136(5) 0.00555(15) 0.0302(15) Uani 1 1 d . . .
H56 H 0.4647 0.3033 0.0003 0.036 Uiso 1 1 calc R . .
C57 C 0.3682(4) 0.2798(5) -0.01625(16) 0.0423(19) Uani 1 1 d . . .
H57 H 0.3800 0.2450 -0.0362 0.051 Uiso 1 1 calc R . .
C58 C 0.3011(3) 0.2959(5) -0.00938(15) 0.0315(16) Uani 1 1 d . . .
H58 H 0.2668 0.2716 -0.0244 0.038 Uiso 1 1 calc R . .
C59 C 0.2837(3) 0.3475(5) 0.01937(15) 0.0282(15) Uani 1 1 d . . .
H59 H 0.2374 0.3605 0.0238 0.034 Uiso 1 1 calc R . .
C60 C 0.3332(3) 0.3800(5) 0.04159(15) 0.0298(15) Uani 1 1 d . . .
H60 H 0.3210 0.4145 0.0615 0.036 Uiso 1 1 calc R . .
C61 C 0.5481(3) 0.3761(4) 0.05112(13) 0.0197(13) Uani 1 1 d . . .
C62 C 0.5697(3) 0.2797(4) 0.04166(13) 0.0222(13) Uani 1 1 d . . .
H62 H 0.5405 0.2222 0.0438 0.027 Uiso 1 1 calc R . .
C63 C 0.6346(3) 0.2665(5) 0.02887(15) 0.0292(15) Uani 1 1 d . . .
H63 H 0.6494 0.2002 0.0222 0.035 Uiso 1 1 calc R . .
C64 C 0.6766(3) 0.3500(5) 0.02603(16) 0.0367(18) Uani 1 1 d . . .
H64 H 0.7205 0.3409 0.0172 0.044 Uiso 1 1 calc R . .
C65 C 0.6565(3) 0.4461(5) 0.03564(16) 0.0330(16) Uani 1 1 d . . .
H65 H 0.6864 0.5028 0.0336 0.040 Uiso 1 1 calc R . .
C66 C 0.5924(3) 0.4606(5) 0.04837(15) 0.0257(14) Uani 1 1 d . . .
H66 H 0.5784 0.5271 0.0552 0.031 Uiso 1 1 calc R . .
C67 C 0.4481(3) 0.3247(4) 0.10347(13) 0.0142(11) Uani 1 1 d . . .
C68 C 0.3911(3) 0.3516(4) 0.12171(13) 0.0196(13) Uani 1 1 d . . .
H68 H 0.3644 0.4094 0.1153 0.024 Uiso 1 1 calc R . .
C69 C 0.3736(3) 0.2932(4) 0.14937(13) 0.0224(13) Uani 1 1 d . . .
H69 H 0.3354 0.3118 0.1621 0.027 Uiso 1 1 calc R . .
C70 C 0.4117(3) 0.2085(4) 0.15825(15) 0.0253(14) Uani 1 1 d . . .
H70 H 0.3989 0.1679 0.1768 0.030 Uiso 1 1 calc R . .
C71 C 0.4687(3) 0.1816(4) 0.14030(14) 0.0228(14) Uani 1 1 d . . .
H71 H 0.4951 0.1237 0.1468 0.027 Uiso 1 1 calc R . .
C72 C 0.4868(3) 0.2399(4) 0.11283(14) 0.0211(13) Uani 1 1 d . . .
H72 H 0.5255 0.2218 0.1004 0.025 Uiso 1 1 calc R . .
C73 C 0.4560(3) 0.5313(4) 0.07613(13) 0.0188(12) Uani 1 1 d . . .
C74 C 0.4819(3) 0.5664(4) 0.10659(15) 0.0249(14) Uani 1 1 d . . .
H74 H 0.4982 0.5187 0.1228 0.030 Uiso 1 1 calc R . .
C75 C 0.4840(3) 0.6701(4) 0.11323(16) 0.0287(15) Uani 1 1 d . . .
H75 H 0.5016 0.6944 0.1340 0.034 Uiso 1 1 calc R . .
C76 C 0.4600(3) 0.7390(4) 0.08927(16) 0.0286(15) Uani 1 1 d . . .
H76 H 0.4625 0.8108 0.0935 0.034 Uiso 1 1 calc R . .
C77 C 0.4331(3) 0.7046(4) 0.06003(16) 0.0272(15) Uani 1 1 d . . .
H77 H 0.4154 0.7526 0.0442 0.033 Uiso 1 1 calc R . .
C78 C 0.4308(3) 0.6009(4) 0.05273(14) 0.0199(13) Uani 1 1 d . . .
H78 H 0.4123 0.5776 0.0320 0.024 Uiso 1 1 calc R . .
P4 P 0.10297(7) 0.97853(11) 0.24824(4) 0.0172(3) Uani 1 1 d . . .
C79 C 0.1392(3) 1.0312(4) 0.21106(13) 0.0183(12) Uani 1 1 d . . .
C80 C 0.1242(3) 1.1318(4) 0.20251(14) 0.0227(13) Uani 1 1 d . . .
H80 H 0.0946 1.1712 0.2159 0.027 Uiso 1 1 calc R . .
C81 C 0.1526(3) 1.1754(4) 0.17428(14) 0.0263(14) Uani 1 1 d . . .
H81 H 0.1421 1.2443 0.1682 0.032 Uiso 1 1 calc R . .
C82 C 0.1958(3) 1.1179(5) 0.15521(14) 0.0295(15) Uani 1 1 d . . .
H82 H 0.2155 1.1478 0.1360 0.035 Uiso 1 1 calc R . .
C83 C 0.2110(3) 1.0180(5) 0.16360(15) 0.0300(15) Uani 1 1 d . . .
H83 H 0.2410 0.9794 0.1502 0.036 Uiso 1 1 calc R . .
C84 C 0.1828(3) 0.9732(5) 0.19142(14) 0.0245(13) Uani 1 1 d . . .
H84 H 0.1930 0.9039 0.1971 0.029 Uiso 1 1 calc R . .
C85 C 0.1461(3) 0.8616(4) 0.25997(14) 0.0191(12) Uani 1 1 d . . .
C86 C 0.1320(3) 0.7730(4) 0.24135(15) 0.0260(14) Uani 1 1 d . . .
H86 H 0.0997 0.7752 0.2234 0.031 Uiso 1 1 calc R . .
C87 C 0.1651(3) 0.6824(4) 0.24910(16) 0.0299(15) Uani 1 1 d . . .
H87 H 0.1575 0.6231 0.2357 0.036 Uiso 1 1 calc R . .
C88 C 0.2093(3) 0.6773(5) 0.27628(15) 0.0288(15) Uani 1 1 d . . .
H88 H 0.2306 0.6141 0.2821 0.035 Uiso 1 1 calc R . .
C89 C 0.2222(3) 0.7643(5) 0.29472(16) 0.0287(15) Uani 1 1 d . . .
H89 H 0.2527 0.7606 0.3133 0.034 Uiso 1 1 calc R . .
C90 C 0.1919(3) 0.8570(5) 0.28692(15) 0.0234(13) Uani 1 1 d . . .
H90 H 0.2020 0.9168 0.2997 0.028 Uiso 1 1 calc R . .
C91 C 0.1123(3) 1.0745(4) 0.28044(14) 0.0200(13) Uani 1 1 d . . .
C92 C 0.0587(3) 1.1031(4) 0.30012(16) 0.0279(15) Uani 1 1 d . . .
H92 H 0.0156 1.0718 0.2970 0.033 Uiso 1 1 calc R . .
C93 C 0.0685(4) 1.1773(5) 0.32418(17) 0.0380(18) Uani 1 1 d . . .
H93 H 0.0317 1.1984 0.3375 0.046 Uiso 1 1 calc R . .
C94 C 0.1320(4) 1.2216(5) 0.32903(16) 0.0348(17) Uani 1 1 d . . .
H94 H 0.1386 1.2717 0.3461 0.042 Uiso 1 1 calc R . .
C95 C 0.1851(4) 1.1938(4) 0.30947(15) 0.0301(15) Uani 1 1 d . . .
H95 H 0.2282 1.2251 0.3128 0.036 Uiso 1 1 calc R . .
C96 C 0.1758(3) 1.1201(4) 0.28493(14) 0.0244(14) Uani 1 1 d . . .
H96 H 0.2124 1.1006 0.2712 0.029 Uiso 1 1 calc R . .
C97 C 0.0146(3) 0.9508(4) 0.24125(14) 0.0172(12) Uani 1 1 d . . .
C98 C -0.0175(3) 0.9819(5) 0.21162(14) 0.0249(13) Uani 1 1 d . . .
H98 H 0.0071 1.0145 0.1944 0.030 Uiso 1 1 calc R . .
C99 C -0.0872(3) 0.9637(5) 0.20788(15) 0.0315(15) Uani 1 1 d . . .
H99 H -0.1103 0.9839 0.1879 0.038 Uiso 1 1 calc R . .
C100 C -0.1223(3) 0.9168(4) 0.23297(14) 0.0223(13) Uani 1 1 d . . .
H10A H -0.1694 0.9040 0.2301 0.027 Uiso 1 1 calc R . .
C101 C -0.0895(3) 0.8882(4) 0.26232(14) 0.0202(13) Uani 1 1 d . . .
H10B H -0.1145 0.8582 0.2799 0.024 Uiso 1 1 calc R . .
C102 C -0.0211(3) 0.9030(4) 0.26627(14) 0.0189(12) Uani 1 1 d . . .
H10C H 0.0018 0.8804 0.2861 0.023 Uiso 1 1 calc R . .
O1 O 0.0864(3) 0.8853(5) 0.33996(15) 0.0723(18) Uani 1 1 d . . .
C103 C 0.0852(5) 0.7996(7) 0.3535(2) 0.068(3) Uani 1 1 d . . .
C104 C 0.1234(6) 0.7824(7) 0.3841(2) 0.094(3) Uani 1 1 d . . .
H10D H 0.1439 0.8472 0.3916 0.141 Uiso 1 1 calc R . .
H10E H 0.1590 0.7316 0.3801 0.141 Uiso 1 1 calc R . .
H10F H 0.0931 0.7566 0.4013 0.141 Uiso 1 1 calc R . .
C105 C 0.0498(6) 0.7131(7) 0.3389(3) 0.094(3) Uani 1 1 d . . .
H10G H 0.0245 0.7355 0.3189 0.141 Uiso 1 1 calc R . .
H10H H 0.0184 0.6848 0.3552 0.141 Uiso 1 1 calc R . .
H10I H 0.0826 0.6601 0.3328 0.141 Uiso 1 1 calc R . .
O2 O -0.1750(4) -0.0005(5) 0.55258(17) 0.080(2) Uani 1 1 d . . .
C106 C -0.1595(5) -0.0517(7) 0.5778(2) 0.061(2) Uani 1 1 d . . .
C107 C -0.2090(5) -0.1116(9) 0.5943(3) 0.099(3) Uani 1 1 d . . .
H10J H -0.2532 -0.1022 0.5832 0.149 Uiso 1 1 calc R . .
H10K H -0.2116 -0.0895 0.6177 0.149 Uiso 1 1 calc R . .
H10L H -0.1962 -0.1844 0.5935 0.149 Uiso 1 1 calc R . .
C108 C -0.0870(5) -0.0545(9) 0.5901(3) 0.099(3) Uani 1 1 d . . .
H10M H -0.0598 -0.0075 0.5767 0.149 Uiso 1 1 calc R . .
H10N H -0.0693 -0.1246 0.5880 0.149 Uiso 1 1 calc R . .
H10O H -0.0848 -0.0333 0.6136 0.149 Uiso 1 1 calc R . .
O3 O 0.5255(6) 0.1178(7) -0.0069(3) 0.051(3) Uani 0.50 1 d P . .
C110 C 0.5745(8) -0.0442(11) -0.0182(4) 0.046(4) Uani 0.50 1 d PD . .
C109 C 0.5282(4) 0.0232(7) -0.0062(2) 0.086(4) Uani 1 1 d 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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 '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_3
C3' Pt1 C2' 102.2(9) .
C3' Pt1 C2 80.7(6) .
C2' Pt1 C2 170.3(7) .
C3' Pt1 C3 174.8(6) .
C2' Pt1 C3 80.7(7) .
C2 Pt1 C3 95.8(4) .
C3' Pt1 C1 85.3(5) .
C2' Pt1 C1 80.6(7) .
C2 Pt1 C1 90.5(3) .
C3 Pt1 C1 90.9(3) .
C3' Pt1 Cl1 97.2(5) .
C2' Pt1 Cl1 93.3(7) .
C2 Pt1 Cl1 95.5(3) .
C3 Pt1 Cl1 86.9(3) .
C1 Pt1 Cl1 173.77(19) .
C3' Pt1 Cl3 10.8(5) .
C2' Pt1 Cl3 97.4(7) .
C2 Pt1 Cl3 87.0(3) .
C3 Pt1 Cl3 174.3(3) .
C1 Pt1 Cl3 94.0(2) .
Cl1 Pt1 Cl3 87.87(7) .
C3' Pt1 Cl2 93.0(5) .
C2' Pt1 Cl2 12.0(7) .
C2 Pt1 Cl2 173.5(3) .
C3 Pt1 Cl2 90.4(3) .
C1 Pt1 Cl2 87.4(2) .
Cl1 Pt1 Cl2 86.77(6) .
Cl3 Pt1 Cl2 87.07(8) .
C3' Pt1 Cl3' 166.7(5) .
C2' Pt1 Cl3' 91.0(7) .
C2 Pt1 Cl3' 86.0(4) .
C3 Pt1 Cl3' 10.7(4) .
C1 Pt1 Cl3' 95.4(4) .
Cl1 Pt1 Cl3' 83.5(3) .
Cl3 Pt1 Cl3' 168.3(3) .
Cl2 Pt1 Cl3' 100.3(2) .
C3' Pt1 Cl2' 85.5(5) .
C2' Pt1 Cl2' 172.2(7) .
C2 Pt1 Cl2' 11.7(3) .
C3 Pt1 Cl2' 91.7(3) .
C1 Pt1 Cl2' 101.5(3) .
Cl1 Pt1 Cl2' 84.4(3) .
Cl3 Pt1 Cl2' 90.0(2) .
Cl2 Pt1 Cl2' 170.8(3) .
Cl3' Pt1 Cl2' 81.4(3) .
F5' C2' F4' 114.1(19) .
F5' C2' F6' 111.6(17) .
F4' C2' F6' 105.7(17) .
F5' C2' Pt1 115.8(14) .
F4' C2' Pt1 101.5(12) .
F6' C2' Pt1 107.1(12) .
F8' C3' F7' 101.6(13) .
F8' C3' F9' 98.5(13) .
F7' C3' F9' 103.2(14) .
F8' C3' Pt1 124.3(13) .
F7' C3' Pt1 112.5(11) .
F9' C3' Pt1 114.0(11) .
F2 C1 F1 104.5(6) .
F2 C1 F3 105.9(6) .
F1 C1 F3 103.2(5) .
F2 C1 Pt1 114.7(5) .
F1 C1 Pt1 112.7(4) .
F3 C1 Pt1 114.7(5) .
F5 C2 F6 105.0(7) .
F5 C2 F4 104.3(8) .
F6 C2 F4 100.9(7) .
F5 C2 Pt1 118.2(6) .
F6 C2 Pt1 113.7(6) .
F4 C2 Pt1 112.8(6) .
F9 C3 F7 106.0(8) .
F9 C3 F8 104.0(7) .
F7 C3 F8 100.5(6) .
F9 C3 Pt1 119.5(5) .
F7 C3 Pt1 112.6(6) .
F8 C3 Pt1 112.3(6) .
C5 Pt2 C4 91.9(3) .
C5 Pt2 C6 91.3(3) .
C4 Pt2 C6 92.3(3) .
C5 Pt2 Cl4 88.6(2) .
C4 Pt2 Cl4 176.3(2) .
C6 Pt2 Cl4 91.31(17) .
C5 Pt2 Cl5 175.0(2) .
C4 Pt2 Cl5 92.8(2) .
C6 Pt2 Cl5 87.00(18) .
Cl4 Pt2 Cl5 86.82(5) .
C5 Pt2 Cl6 92.8(3) .
C4 Pt2 Cl6 88.3(2) .
C6 Pt2 Cl6 175.89(18) .
Cl4 Pt2 Cl6 88.01(5) .
Cl5 Pt2 Cl6 88.91(5) .
F12 C4 F10 107.7(6) .
F12 C4 F11 100.9(6) .
F10 C4 F11 104.6(6) .
F12 C4 Pt2 116.5(5) .
F10 C4 Pt2 114.4(5) .
F11 C4 Pt2 111.3(5) .
F14 C5 F13 107.2(6) .
F14 C5 F15 104.7(6) .
F13 C5 F15 100.1(6) .
F14 C5 Pt2 116.2(6) .
F13 C5 Pt2 114.5(5) .
F15 C5 Pt2 112.5(5) .
F17 C6 F16 111.0(6) .
F17 C6 F18 103.3(5) .
F16 C6 F18 104.3(5) .
F17 C6 Pt2 114.4(4) .
F16 C6 Pt2 112.9(5) .
F18 C6 Pt2 110.1(5) .
C19 P1 C25 108.9(2) .
C19 P1 C7 107.6(2) .
C25 P1 C7 109.5(2) .
C19 P1 C13 111.3(2) .
C25 P1 C13 110.1(2) .
C7 P1 C13 109.4(2) .
C12 C7 C8 119.8(5) .
C12 C7 P1 120.4(4) .
C8 C7 P1 119.6(4) .
C9 C8 C7 119.4(5) .
C8 C9 C10 120.8(5) .
C9 C10 C11 120.1(5) .
C10 C11 C12 119.9(5) .
C11 C12 C7 120.0(5) .
C18 C13 C14 120.1(5) .
C18 C13 P1 119.8(4) .
C14 C13 P1 120.0(4) .
C15 C14 C13 118.8(5) .
C16 C15 C14 120.7(5) .
C17 C16 C15 120.0(5) .
C16 C17 C18 121.4(5) .
C17 C18 C13 119.1(5) .
C24 C19 C20 119.7(5) .
C24 C19 P1 120.8(4) .
C20 C19 P1 119.4(4) .
C21 C20 C19 119.6(5) .
C20 C21 C22 120.3(5) .
C21 C22 C23 120.4(5) .
C22 C23 C24 119.7(5) .
C19 C24 C23 120.2(5) .
C30 C25 C26 119.6(5) .
C30 C25 P1 120.8(4) .
C26 C25 P1 119.5(4) .
C27 C26 C25 120.1(5) .
C28 C27 C26 119.8(5) .
C27 C28 C29 120.3(5) .
C30 C29 C28 120.1(5) .
C29 C30 C25 120.1(5) .
C43 P2 C31 111.9(3) .
C43 P2 C49 110.6(3) .
C31 P2 C49 106.7(3) .
C43 P2 C37 107.2(3) .
C31 P2 C37 107.7(3) .
C49 P2 C37 112.7(3) .
C32 C31 C36 120.1(5) .
C32 C31 P2 120.9(4) .
C36 C31 P2 118.9(4) .
C31 C32 C33 119.2(6) .
C34 C33 C32 120.6(6) .
C33 C34 C35 120.0(6) .
C36 C35 C34 120.2(6) .
C35 C36 C31 119.9(6) .
C42 C37 C38 120.9(5) .
C42 C37 P2 119.0(4) .
C38 C37 P2 119.9(5) .
C39 C38 C37 118.7(6) .
C40 C39 C38 120.8(6) .
C39 C40 C41 120.8(6) .
C42 C41 C40 119.2(6) .
C41 C42 C37 119.5(6) .
C44 C43 C48 120.0(5) .
C44 C43 P2 121.5(4) .
C48 C43 P2 118.5(4) .
C43 C44 C45 119.7(6) .
C46 C45 C44 119.4(6) .
C47 C46 C45 121.6(6) .
C46 C47 C48 119.5(6) .
C47 C48 C43 119.9(6) .
C50 C49 C54 119.1(6) .
C50 C49 P2 122.3(5) .
C54 C49 P2 118.7(4) .
C51 C50 C49 120.3(6) .
C50 C51 C52 119.5(6) .
C53 C52 C51 120.4(6) .
C54 C53 C52 120.6(6) .
C53 C54 C49 120.1(6) .
C73 P3 C55 110.0(3) .
C73 P3 C67 108.0(2) .
C55 P3 C67 108.5(2) .
C73 P3 C61 108.1(3) .
C55 P3 C61 110.4(3) .
C67 P3 C61 111.9(3) .
C56 C55 C60 118.9(5) .
C56 C55 P3 122.9(5) .
C60 C55 P3 118.2(4) .
C55 C56 C57 120.3(6) .
C58 C57 C56 120.6(6) .
C57 C58 C59 119.9(6) .
C60 C59 C58 120.1(6) .
C59 C60 C55 120.1(6) .
C62 C61 C66 119.4(5) .
C62 C61 P3 121.7(4) .
C66 C61 P3 118.9(4) .
C61 C62 C63 120.2(6) .
C64 C63 C62 119.5(6) .
C65 C64 C63 121.3(6) .
C64 C65 C66 119.9(6) .
C65 C66 C61 119.7(6) .
C72 C67 C68 120.1(5) .
C72 C67 P3 122.6(4) .
C68 C67 P3 117.1(4) .
C69 C68 C67 119.5(5) .
C70 C69 C68 120.0(5) .
C69 C70 C71 120.7(5) .
C72 C71 C70 119.7(5) .
C71 C72 C67 119.9(5) .
C78 C73 C74 119.8(5) .
C78 C73 P3 121.0(4) .
C74 C73 P3 118.8(4) .
C75 C74 C73 120.1(6) .
C74 C75 C76 119.4(6) .
C77 C76 C75 120.4(5) .
C76 C77 C78 121.2(6) .
C77 C78 C73 119.0(5) .
C97 P4 C79 110.4(3) .
C97 P4 C91 109.6(3) .
C79 P4 C91 107.0(3) .
C97 P4 C85 108.9(3) .
C79 P4 C85 110.0(3) .
C91 P4 C85 111.0(3) .
C80 C79 C84 120.2(5) .
C80 C79 P4 118.5(4) .
C84 C79 P4 121.3(4) .
C79 C80 C81 119.9(5) .
C82 C81 C80 119.6(6) .
C83 C82 C81 120.8(5) .
C82 C83 C84 120.4(6) .
C83 C84 C79 119.2(6) .
C90 C85 C86 119.8(5) .
C90 C85 P4 122.3(4) .
C86 C85 P4 118.0(5) .
C87 C86 C85 119.7(6) .
C86 C87 C88 120.5(6) .
C89 C88 C87 119.3(6) .
C88 C89 C90 121.6(6) .
C89 C90 C85 119.0(6) .
C92 C91 C96 120.5(5) .
C92 C91 P4 121.8(5) .
C96 C91 P4 117.7(4) .
C93 C92 C91 119.4(6) .
C92 C93 C94 120.2(6) .
C95 C94 C93 120.6(6) .
C94 C95 C96 119.9(6) .
C95 C96 C91 119.4(6) .
C102 C97 C98 121.2(5) .
C102 C97 P4 118.9(4) .
C98 C97 P4 119.8(4) .
C97 C98 C99 118.1(5) .
C100 C99 C98 120.4(6) .
C99 C100 C101 120.4(6) .
C102 C101 C100 120.3(5) .
C101 C102 C97 119.6(5) .
O1 C103 C105 122.7(9) .
O1 C103 C104 119.7(10) .
C105 C103 C104 117.5(8) .
O2 C106 C107 120.8(10) .
O2 C106 C108 119.8(9) .
C107 C106 C108 119.4(9) .
O3 C109 C110 131.6(9) .
O3 C109 C109 114.5(11) 3_655
C110 C109 C109 113.6(12) 3_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C3' 1.940(19) .
Pt1 C2' 1.992(11) .
Pt1 C2 1.995(9) .
Pt1 C3 1.996(10) .
Pt1 C1 2.033(7) .
Pt1 Cl1 2.4044(13) .
Pt1 Cl3 2.445(2) .
Pt1 Cl2 2.448(2) .
Pt1 Cl3' 2.485(5) .
Pt1 Cl2' 2.486(5) .
C2' F5' 1.285(17) .
C2' F4' 1.308(18) .
C2' F6' 1.349(18) .
C3' F8' 1.323(16) .
C3' F7' 1.368(16) .
C3' F9' 1.396(17) .
C1 F2 1.324(8) .
C1 F1 1.356(7) .
C1 F3 1.364(8) .
C2 F5 1.302(10) .
C2 F6 1.377(11) .
C2 F4 1.392(9) .
C3 F9 1.299(11) .
C3 F7 1.406(9) .
C3 F8 1.412(10) .
Pt2 C5 2.016(7) .
Pt2 C4 2.048(7) .
Pt2 C6 2.106(7) .
Pt2 Cl4 2.4106(13) .
Pt2 Cl5 2.4140(15) .
Pt2 Cl6 2.4320(16) .
F10 C4 1.307(7) .
F11 C4 1.400(8) .
F12 C4 1.291(9) .
F13 C5 1.351(8) .
F14 C5 1.292(9) .
F15 C5 1.380(9) .
F16 C6 1.299(7) .
F17 C6 1.249(7) .
F18 C6 1.383(7) .
P1 C19 1.790(5) .
P1 C25 1.791(5) .
P1 C7 1.799(5) .
P1 C13 1.805(5) .
C7 C12 1.386(7) .
C7 C8 1.396(7) .
C8 C9 1.371(8) .
C9 C10 1.377(7) .
C10 C11 1.379(7) .
C11 C12 1.383(7) .
C13 C18 1.400(7) .
C13 C14 1.404(7) .
C14 C15 1.389(7) .
C15 C16 1.387(8) .
C16 C17 1.362(8) .
C17 C18 1.383(7) .
C19 C24 1.384(7) .
C19 C20 1.414(7) .
C20 C21 1.377(7) .
C21 C22 1.387(7) .
C22 C23 1.389(7) .
C23 C24 1.392(8) .
C25 C30 1.389(7) .
C25 C26 1.394(7) .
C26 C27 1.386(7) .
C27 C28 1.379(8) .
C28 C29 1.386(7) .
C29 C30 1.381(7) .
P2 C43 1.788(6) .
P2 C31 1.792(6) .
P2 C49 1.796(6) .
P2 C37 1.807(6) .
C31 C32 1.379(8) .
C31 C36 1.407(8) .
C32 C33 1.404(8) .
C33 C34 1.378(10) .
C34 C35 1.387(9) .
C35 C36 1.377(8) .
C37 C42 1.391(8) .
C37 C38 1.393(8) .
C38 C39 1.373(8) .
C39 C40 1.366(9) .
C40 C41 1.397(9) .
C41 C42 1.377(8) .
C43 C44 1.391(8) .
C43 C48 1.398(8) .
C44 C45 1.394(8) .
C45 C46 1.379(9) .
C46 C47 1.375(9) .
C47 C48 1.386(8) .
C49 C50 1.390(8) .
C49 C54 1.413(8) .
C50 C51 1.377(8) .
C51 C52 1.398(9) .
C52 C53 1.373(9) .
C53 C54 1.359(8) .
P3 C73 1.792(6) .
P3 C55 1.792(6) .
P3 C67 1.800(5) .
P3 C61 1.801(6) .
C55 C56 1.378(7) .
C55 C60 1.409(8) .
C56 C57 1.381(9) .
C57 C58 1.373(9) .
C58 C59 1.381(8) .
C59 C60 1.374(8) .
C61 C62 1.379(8) .
C61 C66 1.409(8) .
C62 C63 1.398(8) .
C63 C64 1.372(9) .
C64 C65 1.369(9) .
C65 C66 1.385(9) .
C67 C72 1.388(7) .
C67 C68 1.399(7) .
C68 C69 1.391(7) .
C69 C70 1.375(8) .
C70 C71 1.392(8) .
C71 C72 1.387(7) .
C73 C78 1.388(7) .
C73 C74 1.389(8) .
C74 C75 1.374(8) .
C75 C76 1.388(9) .
C76 C77 1.351(9) .
C77 C78 1.379(7) .
P4 C97 1.798(6) .
P4 C79 1.799(5) .
P4 C91 1.800(5) .
P4 C85 1.800(6) .
C79 C80 1.383(8) .
C79 C84 1.398(7) .
C80 C81 1.391(7) .
C81 C82 1.377(8) .
C82 C83 1.374(8) .
C83 C84 1.383(8) .
C85 C90 1.393(8) .
C85 C86 1.396(8) .
C86 C87 1.380(8) .
C87 C88 1.382(9) .
C88 C89 1.371(8) .
C89 C90 1.379(8) .
C91 C92 1.382(8) .
C91 C96 1.397(8) .
C92 C93 1.373(8) .
C93 C94 1.389(9) .
C94 C95 1.369(9) .
C95 C96 1.381(8) .
C97 C102 1.382(7) .
C97 C98 1.393(8) .
C98 C99 1.400(8) .
C99 C100 1.374(8) .
C100 C101 1.380(8) .
C101 C102 1.371(8) .
O1 C103 1.238(9) .
C103 C105 1.441(13) .
C103 C104 1.443(12) .
O2 C106 1.241(10) .
C106 C107 1.422(12) .
C106 C108 1.505(13) .
O3 C109 1.231(11) .
C110 C109 1.361(10) .
C109 C109 1.368(10) 3_655
