#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:44:19 +0200 (Thu, 07 Nov 2019) $
#$Revision: 224093 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/95/7049544.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_7049544
loop_
_publ_author_name
'Zheng, Qinglin'
'Schneider, Jakob F.'
'Amini, Hashem'
'Hampel, Frank'
'Gladysz, John A.'
_publ_section_title
;
 Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring
 X[PtC[triple bond, length as m-dash]CC[triple bond, length as
 m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as
 m-dash]C]ₘPtX segments; iterative syntheses and
 functionalization for measurements of single molecule properties.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5800
_journal_page_last               5816
_journal_paper_doi               10.1039/c9dt00870e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C92 H84 Cl2 P4 Pt2, 2(C3 H6 O)'
_chemical_formula_sum            'C98 H96 Cl2 O2 P4 Pt2'
_chemical_formula_weight         1890.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2019-02-14
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-02-22 deposited with the CCDC.    2019-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.2910(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.20880(10)
_cell_length_b                   37.2486(3)
_cell_length_c                   11.55030(10)
_cell_measurement_reflns_used    9740
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     4429.41(7)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18516
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.093
_exptl_absorpt_coefficient_mu    3.334
_exptl_absorpt_correction_T_max  0.6346
_exptl_absorpt_correction_T_min  0.4345
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1900
_exptl_crystal_recrystallization_method 'crystallized fom Toluene/DCM/Acetone'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         10055
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0509P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0915
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7830
_reflns_number_total             10055
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00870e2.cif
_cod_data_source_block           qz02
_cod_depositor_comments
'Adding full bibliography for 7049542--7049544.cif.'
_cod_database_code               7049544
_shelxl_version_number           2014/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.635
_shelx_estimated_absorpt_t_min   0.434
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Others
 Sof(H10A)=Sof(H10B)=Sof(H10C)=Sof(H10G)=Sof(H10H)=Sof(H10I)=Sof(C11B)=
 Sof(O11B)=1-FVAR(1)
 Sof(H10D)=Sof(H10E)=Sof(H10F)=Sof(C10B)=Sof(O10B)=Sof(H10J)=Sof(H10K)=
 Sof(H10L)=FVAR(1)
3.a Riding coordinates:
 C10A(H10D,H10E,H10F), C10A(H10A,H10B,H10C), C10C(H10J,H10K,H10L), C10C(H10G,
 H10H,H10I)
3.b Me refined with riding coordinates:
 C27(H27a,H27b,H27c), C37(H37a,H37b,H37c), C57(H57a,H57b,H57c), C17(H17a,H17b,
 H17c), C67(H67a,H67b,H67c), C47(H47a,H47b,H47c)
3.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25),
 C26(H26), C32(H32), C33(H33), C35(H35), C36(H36), C42(H42), C43(H43), C45(H45),
  C46(H46), C52(H52), C53(H53), C55(H55), C56(H56), C66(H66), C62(H62),
 C63(H63), C65(H65)
;
_olex2_date_sample_data_collection 2001-11-28
_olex2_date_sample_submission    2001-11-23
_olex2_exptl_crystal_mounting_method 'mounted on a glasfiber'
_olex2_submission_original_sample_id QZP63M
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.89099(2) 0.13269(2) 0.14312(2) 0.02143(6) Uani 1 1 d . . . .
P1 P 0.87914(10) 0.13601(3) -0.06124(9) 0.0215(2) Uani 1 1 d . . . .
Cl1 Cl 1.03252(10) 0.18167(3) 0.21895(10) 0.0375(3) Uani 1 1 d . . . .
C1 C 0.7754(4) 0.09191(11) 0.0862(3) 0.0279(9) Uani 1 1 d . . . .
P2 P 0.89207(10) 0.12839(3) 0.34405(9) 0.0234(2) Uani 1 1 d . . . .
C2 C 0.7029(4) 0.06647(12) 0.0529(4) 0.0347(10) Uani 1 1 d . . . .
C3 C 0.6205(4) 0.03778(12) 0.0272(4) 0.0409(11) Uani 1 1 d . . . .
C4 C 0.5448(5) 0.01354(13) 0.0107(4) 0.0445(12) Uani 1 1 d . . . .
C11 C 0.7225(4) 0.15254(10) -0.1729(3) 0.0237(8) Uani 1 1 d . . . .
C12 C 0.7105(4) 0.16681(13) -0.2875(4) 0.0387(11) Uani 1 1 d . . . .
H12 H 0.7847 0.1683 -0.3077 0.046 Uiso 1 1 calc R . . .
C13 C 0.5905(4) 0.17899(13) -0.3740(4) 0.0403(11) Uani 1 1 d . . . .
H13 H 0.5842 0.1888 -0.4521 0.048 Uiso 1 1 calc R . . .
C14 C 0.4809(4) 0.17692(13) -0.3476(4) 0.0386(11) Uani 1 1 d . . . .
C15 C 0.4944(4) 0.16238(15) -0.2341(4) 0.0482(13) Uani 1 1 d . . . .
H15 H 0.4197 0.1603 -0.2149 0.058 Uiso 1 1 calc R . . .
C16 C 0.6137(4) 0.15050(14) -0.1456(4) 0.0359(11) Uani 1 1 d . . . .
H16 H 0.6198 0.1411 -0.0670 0.043 Uiso 1 1 calc R . . .
C21 C 0.8993(4) 0.09209(11) -0.1205(4) 0.0257(9) Uani 1 1 d . . . .
C22 C 1.0013(4) 0.07051(12) -0.0450(4) 0.0374(10) Uani 1 1 d . . . .
H22 H 1.0564 0.0784 0.0371 0.045 Uiso 1 1 calc R . . .
C23 C 1.0233(5) 0.03754(13) -0.0889(5) 0.0515(13) Uani 1 1 d . . . .
H23 H 1.0952 0.0235 -0.0371 0.062 Uiso 1 1 calc R . . .
C24 C 0.9429(5) 0.02470(14) -0.2060(5) 0.0520(13) Uani 1 1 d . . . .
C25 C 0.8415(5) 0.04625(14) -0.2801(5) 0.0522(13) Uani 1 1 d . . . .
H25 H 0.7857 0.0381 -0.3615 0.063 Uiso 1 1 calc R . . .
C26 C 0.8190(4) 0.07943(12) -0.2388(4) 0.0379(11) Uani 1 1 d . . . .
H26 H 0.7480 0.0937 -0.2917 0.045 Uiso 1 1 calc R . . .
C27 C 0.9675(7) -0.01127(16) -0.2535(6) 0.093(2) Uani 1 1 d . . . .
H27A H 1.0431 -0.0227 -0.1885 0.140 Uiso 1 1 calc R . . .
H27B H 0.8911 -0.0267 -0.2730 0.140 Uiso 1 1 calc R . . .
H27C H 0.9842 -0.0077 -0.3298 0.140 Uiso 1 1 calc R . . .
C31 C 0.9947(3) 0.16468(11) -0.0919(3) 0.0233(8) Uani 1 1 d . . . .
C32 C 0.9938(4) 0.20164(11) -0.0712(4) 0.0290(9) Uani 1 1 d . . . .
H32 H 0.9362 0.2111 -0.0367 0.035 Uiso 1 1 calc R . . .
C33 C 1.0748(4) 0.22470(12) -0.0998(4) 0.0314(10) Uani 1 1 d . . . .
H33 H 1.0729 0.2497 -0.0842 0.038 Uiso 1 1 calc R . . .
C34 C 1.1597(4) 0.21132(12) -0.1517(4) 0.0309(9) Uani 1 1 d . . . .
C35 C 1.1606(4) 0.17470(12) -0.1712(4) 0.0303(9) Uani 1 1 d . . . .
H35 H 1.2183 0.1652 -0.2055 0.036 Uiso 1 1 calc R . . .
C36 C 1.0799(4) 0.15145(11) -0.1421(3) 0.0256(9) Uani 1 1 d . . . .
H36 H 1.0829 0.1264 -0.1566 0.031 Uiso 1 1 calc R . . .
C37 C 1.2457(4) 0.23644(13) -0.1884(5) 0.0488(13) Uani 1 1 d . . . .
H37A H 1.2320 0.2612 -0.1676 0.073 Uiso 1 1 calc R . . .
H37B H 1.3369 0.2298 -0.1420 0.073 Uiso 1 1 calc R . . .
H37C H 1.2236 0.2345 -0.2791 0.073 Uiso 1 1 calc R . . .
C41 C 0.7705(4) 0.09888(12) 0.3634(3) 0.0288(9) Uani 1 1 d . . . .
C42 C 0.7770(5) 0.06224(12) 0.3443(4) 0.0399(11) Uani 1 1 d . . . .
H42 H 0.8486 0.0527 0.3300 0.048 Uiso 1 1 calc R . . .
C43 C 0.6809(6) 0.03956(14) 0.3459(5) 0.0551(15) Uani 1 1 d . . . .
H43 H 0.6872 0.0146 0.3326 0.066 Uiso 1 1 calc R . . .
C44 C 0.5747(5) 0.05246(16) 0.3666(5) 0.0555(15) Uani 1 1 d . . . .
C45 C 0.5741(5) 0.08848(16) 0.3939(5) 0.0562(15) Uani 1 1 d . . . .
H45 H 0.5060 0.0977 0.4147 0.067 Uiso 1 1 calc R . . .
C46 C 0.6695(4) 0.11150(13) 0.3919(4) 0.0371(10) Uani 1 1 d . . . .
H46 H 0.6657 0.1362 0.4102 0.045 Uiso 1 1 calc R . . .
C51 C 0.8564(4) 0.17140(11) 0.3958(3) 0.0256(9) Uani 1 1 d . . . .
C52 C 0.7492(4) 0.19025(12) 0.3117(4) 0.0361(10) Uani 1 1 d . . . .
H52 H 0.7071 0.1821 0.2273 0.043 Uiso 1 1 calc R . . .
C53 C 0.7036(4) 0.22052(12) 0.3495(4) 0.0389(11) Uani 1 1 d . . . .
H53 H 0.6298 0.2327 0.2913 0.047 Uiso 1 1 calc R . . .
C54 C 0.7643(4) 0.23333(11) 0.4716(4) 0.0356(10) Uani 1 1 d . . . .
C55 C 0.8755(4) 0.21591(12) 0.5519(4) 0.0393(11) Uani 1 1 d . . . .
H55 H 0.9217 0.2254 0.6340 0.047 Uiso 1 1 calc R . . .
C56 C 0.9213(4) 0.18498(11) 0.5159(4) 0.0308(9) Uani 1 1 d . . . .
H56 H 0.9967 0.1733 0.5735 0.037 Uiso 1 1 calc R . . .
C57 C 0.7095(5) 0.26501(13) 0.5169(5) 0.0547(14) Uani 1 1 d . . . .
H57A H 0.7651 0.2702 0.6051 0.082 Uiso 1 1 calc R . . .
H57B H 0.7062 0.2861 0.4650 0.082 Uiso 1 1 calc R . . .
H57C H 0.6216 0.2592 0.5101 0.082 Uiso 1 1 calc R . . .
C61 C 1.0441(4) 0.11123(11) 0.4612(4) 0.0294(9) Uani 1 1 d . . . .
C66 C 1.1544(4) 0.11003(14) 0.4363(4) 0.0453(12) Uani 1 1 d . . . .
H66 H 1.1518 0.1186 0.3579 0.054 Uiso 1 1 calc R . . .
C62 C 1.0507(4) 0.09721(13) 0.5750(4) 0.0408(11) Uani 1 1 d . . . .
H62 H 0.9754 0.0972 0.5935 0.049 Uiso 1 1 calc R . . .
C64 C 1.2764(5) 0.08244(13) 0.6384(4) 0.0473(12) Uani 1 1 d . . . .
C63 C 1.1656(5) 0.08324(13) 0.6617(4) 0.0454(12) Uani 1 1 d . . . .
H63 H 1.1679 0.0740 0.7392 0.054 Uiso 1 1 calc R . . .
C65 C 1.2688(5) 0.09643(16) 0.5248(5) 0.0583(15) Uani 1 1 d . . . .
H65 H 1.3446 0.0967 0.5071 0.070 Uiso 1 1 calc R . . .
C17 C 0.3530(5) 0.19077(16) -0.4402(5) 0.0585(15) Uani 1 1 d . . . .
H17A H 0.3638 0.2000 -0.5150 0.088 Uiso 1 1 calc R . . .
H17B H 0.2893 0.1712 -0.4650 0.088 Uiso 1 1 calc R . . .
H17C H 0.3226 0.2101 -0.4012 0.088 Uiso 1 1 calc R . . .
C67 C 1.4015(5) 0.06778(16) 0.7336(5) 0.0696(18) Uani 1 1 d . . . .
H67A H 1.4693 0.0695 0.7002 0.104 Uiso 1 1 calc R . . .
H67B H 1.4275 0.0817 0.8117 0.104 Uiso 1 1 calc R . . .
H67C H 1.3894 0.0426 0.7510 0.104 Uiso 1 1 calc R . . .
C47 C 0.4628(6) 0.0278(2) 0.3556(7) 0.102(3) Uani 1 1 d . . . .
H47A H 0.4817 0.0034 0.3359 0.153 Uiso 1 1 calc R . . .
H47B H 0.4517 0.0276 0.4356 0.153 Uiso 1 1 calc R . . .
H47C H 0.3829 0.0364 0.2882 0.153 Uiso 1 1 calc R . . .
C10A C 1.3526(7) 0.1665(3) 0.1792(6) 0.110(3) Uani 1 1 d . . . .
H10D H 1.2955 0.1797 0.1045 0.166 Uiso 0.425(7) 1 d R P A 2
H10E H 1.4432 0.1728 0.1980 0.166 Uiso 0.425(7) 1 d R P A 2
H10F H 1.3313 0.1728 0.2512 0.166 Uiso 0.425(7) 1 d R P A 2
H10A H 1.2607 0.1596 0.1419 0.166 Uiso 0.575(7) 1 d R P A 1
H10B H 1.3598 0.1925 0.1928 0.166 Uiso 0.575(7) 1 d R P A 1
H10C H 1.3957 0.1541 0.2600 0.166 Uiso 0.575(7) 1 d R P A 1
C10B C 1.3316(17) 0.1223(6) 0.1517(15) 0.090(7) Uani 0.425(7) 1 d . P A 2
O10B O 1.2726(10) 0.1023(4) 0.1882(11) 0.101(5) Uani 0.425(7) 1 d . P A 2
C10C C 1.3989(8) 0.1138(3) 0.0633(7) 0.132(4) Uani 1 1 d . . . .
H10J H 1.3949 0.0879 0.0473 0.198 Uiso 0.425(7) 1 d R P A 2
H10K H 1.4899 0.1214 0.1023 0.198 Uiso 0.425(7) 1 d R P A 2
H10L H 1.3552 0.1266 -0.0165 0.198 Uiso 0.425(7) 1 d R P A 2
H10G H 1.4850 0.1025 0.0964 0.198 Uiso 0.575(7) 1 d R P A 1
H10H H 1.3581 0.1104 -0.0282 0.198 Uiso 0.575(7) 1 d R P A 1
H10I H 1.3448 0.1027 0.1025 0.198 Uiso 0.575(7) 1 d R P A 1
C11B C 1.4136(9) 0.1565(4) 0.0953(9) 0.077(4) Uani 0.575(7) 1 d . P A 1
O11B O 1.4702(7) 0.1770(3) 0.0563(7) 0.099(4) Uani 0.575(7) 1 d . P A 1
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'
Cl Cl 0.1484 0.1585 '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'
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_3
P1 Pt1 Pt1 91.18(2) 3_655
P1 Pt1 Cl1 95.56(3) .
P1 Pt1 P2 177.11(3) .
Cl1 Pt1 Pt1 173.18(2) 3_655
C1 Pt1 Pt1 5.12(11) 3_655
C1 Pt1 P1 86.27(11) .
C1 Pt1 Cl1 178.13(11) .
C1 Pt1 P2 91.34(11) .
P2 Pt1 Pt1 86.39(3) 3_655
P2 Pt1 Cl1 86.85(4) .
C11 P1 Pt1 112.93(12) .
C21 P1 Pt1 111.69(13) .
C21 P1 C11 105.38(18) .
C31 P1 Pt1 118.17(12) .
C31 P1 C11 102.96(17) .
C31 P1 C21 104.50(17) .
C2 C1 Pt1 178.7(4) .
C41 P2 Pt1 116.96(13) .
C51 P2 Pt1 110.77(13) .
C51 P2 C41 102.65(18) .
C51 P2 C61 109.21(18) .
C61 P2 Pt1 113.61(13) .
C61 P2 C41 102.77(19) .
C1 C2 C3 174.1(5) .
C4 C3 C2 175.3(5) .
C3 C4 C4 178.3(7) 3_655
C12 C11 P1 120.5(3) .
C16 C11 P1 120.7(3) .
C16 C11 C12 118.7(4) .
C11 C12 C13 120.7(4) .
C14 C13 C12 120.9(4) .
C13 C14 C17 120.4(4) .
C15 C14 C13 117.5(4) .
C15 C14 C17 122.1(4) .
C14 C15 C16 122.5(4) .
C11 C16 C15 119.6(4) .
C22 C21 P1 118.6(3) .
C22 C21 C26 118.3(4) .
C26 C21 P1 123.1(3) .
C23 C22 C21 120.3(4) .
C24 C23 C22 121.6(5) .
C23 C24 C27 121.3(5) .
C25 C24 C23 117.7(5) .
C25 C24 C27 121.0(5) .
C24 C25 C26 121.7(5) .
C25 C26 C21 120.4(4) .
C32 C31 P1 119.4(3) .
C36 C31 P1 122.2(3) .
C36 C31 C32 118.3(3) .
C33 C32 C31 121.4(4) .
C32 C33 C34 120.2(4) .
C33 C34 C37 120.9(4) .
C35 C34 C33 118.1(4) .
C35 C34 C37 121.0(4) .
C34 C35 C36 121.9(4) .
C35 C36 C31 120.1(4) .
C42 C41 P2 118.9(3) .
C46 C41 P2 123.0(3) .
C46 C41 C42 118.1(4) .
C43 C42 C41 120.8(5) .
C42 C43 C44 121.3(5) .
C43 C44 C47 120.8(6) .
C45 C44 C43 117.3(5) .
C45 C44 C47 121.9(6) .
C46 C45 C44 121.8(5) .
C45 C46 C41 120.5(5) .
C52 C51 P2 117.2(3) .
C56 C51 P2 124.0(3) .
C56 C51 C52 118.6(4) .
C53 C52 C51 121.0(4) .
C52 C53 C54 120.6(4) .
C53 C54 C55 118.1(4) .
C53 C54 C57 121.1(4) .
C55 C54 C57 120.9(4) .
C54 C55 C56 121.9(4) .
C51 C56 C55 119.6(4) .
C66 C61 P2 120.6(3) .
C66 C61 C62 118.0(4) .
C62 C61 P2 121.3(3) .
C61 C66 C65 120.3(4) .
C63 C62 C61 120.9(4) .
C63 C64 C65 117.2(4) .
C63 C64 C67 121.3(5) .
C65 C64 C67 121.4(5) .
C64 C63 C62 121.5(4) .
C64 C65 C66 122.1(5) .
O10B C10B C10A 127.5(19) .
O10B C10B C10C 127(2) .
C10C C10B C10A 105.2(13) .
C10A C11B C10C 111.9(9) .
O11B C11B C10A 123.7(14) .
O11B C11B C10C 124.3(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Pt1 12.7498(3) 3_655
Pt1 P1 2.3144(10) .
Pt1 Cl1 2.3481(10) .
Pt1 C1 1.935(4) .
Pt1 P2 2.3216(10) .
P1 C11 1.826(4) .
P1 C21 1.822(4) .
P1 C31 1.819(4) .
C1 C2 1.208(5) .
P2 C41 1.832(4) .
P2 C51 1.809(4) .
P2 C61 1.822(4) .
C2 C3 1.367(6) .
C3 C4 1.201(6) .
C4 C4 1.375(9) 3_655
C11 C12 1.384(5) .
C11 C16 1.377(5) .
C12 C13 1.397(6) .
C13 C14 1.379(6) .
C14 C15 1.371(6) .
C14 C17 1.501(6) .
C15 C16 1.395(6) .
C21 C22 1.387(6) .
C21 C26 1.388(5) .
C22 C23 1.387(6) .
C23 C24 1.381(7) .
C24 C25 1.378(7) .
C24 C27 1.513(7) .
C25 C26 1.384(6) .
C31 C32 1.398(5) .
C31 C36 1.389(5) .
C32 C33 1.381(5) .
C33 C34 1.402(6) .
C34 C35 1.383(6) .
C34 C37 1.519(5) .
C35 C36 1.386(5) .
C41 C42 1.389(6) .
C41 C46 1.381(6) .
C42 C43 1.375(6) .
C43 C44 1.389(8) .
C44 C45 1.379(8) .
C44 C47 1.519(7) .
C45 C46 1.378(6) .
C51 C52 1.399(5) .
C51 C56 1.383(5) .
C52 C53 1.378(6) .
C53 C54 1.385(6) .
C54 C55 1.386(6) .
C54 C57 1.517(6) .
C55 C56 1.390(6) .
C61 C66 1.376(5) .
C61 C62 1.388(6) .
C66 C65 1.382(6) .
C62 C63 1.383(6) .
C64 C63 1.371(6) .
C64 C65 1.382(7) .
C64 C67 1.502(6) .
C10A C10B 1.67(2) .
C10A C11B 1.439(14) .
C10B O10B 1.18(2) .
C10B C10C 1.52(2) .
C10C C11B 1.626(17) .
C11B O11B 1.190(13) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
Pt1 P1 C11 C12 159.6(3)
Pt1 P1 C11 C16 -21.5(4)
Pt1 P1 C21 C22 -47.7(3)
Pt1 P1 C21 C26 133.6(3)
Pt1 P1 C31 C32 -62.7(3)
Pt1 P1 C31 C36 120.9(3)
Pt1 P2 C41 C42 65.0(4)
Pt1 P2 C41 C46 -112.6(3)
Pt1 P2 C51 C52 48.3(3)
Pt1 P2 C51 C56 -137.6(3)
Pt1 P2 C61 C66 15.2(4)
Pt1 P2 C61 C62 -161.2(3)
P1 C11 C12 C13 179.0(4)
P1 C11 C16 C15 -178.2(4)
P1 C21 C22 C23 -177.3(4)
P1 C21 C26 C25 178.0(4)
P1 C31 C32 C33 -176.4(3)
P1 C31 C36 C35 176.0(3)
P2 C41 C42 C43 -173.7(4)
P2 C41 C46 C45 174.0(4)
P2 C51 C52 C53 170.5(3)
P2 C51 C56 C55 -171.3(3)
P2 C61 C66 C65 -178.9(4)
P2 C61 C62 C63 178.0(4)
C11 P1 C21 C22 -170.7(3)
C11 P1 C21 C26 10.6(4)
C11 P1 C31 C32 62.6(3)
C11 P1 C31 C36 -113.8(3)
C11 C12 C13 C14 -0.3(7)
C12 C11 C16 C15 0.8(7)
C12 C13 C14 C15 -0.3(7)
C12 C13 C14 C17 178.8(5)
C13 C14 C15 C16 1.2(8)
C14 C15 C16 C11 -1.4(8)
C16 C11 C12 C13 0.1(7)
C21 P1 C11 C12 -78.2(4)
C21 P1 C11 C16 100.7(4)
C21 P1 C31 C32 172.5(3)
C21 P1 C31 C36 -3.9(4)
C21 C22 C23 C24 -2.1(8)
C22 C21 C26 C25 -0.6(6)
C22 C23 C24 C25 1.7(8)
C22 C23 C24 C27 179.9(5)
C23 C24 C25 C26 -0.9(8)
C24 C25 C26 C21 0.4(8)
C26 C21 C22 C23 1.5(6)
C27 C24 C25 C26 -179.0(5)
C31 P1 C11 C12 31.1(4)
C31 P1 C11 C16 -150.0(4)
C31 P1 C21 C22 81.2(3)
C31 P1 C21 C26 -97.5(4)
C31 C32 C33 C34 0.5(6)
C32 C31 C36 C35 -0.4(5)
C32 C33 C34 C35 -0.9(6)
C32 C33 C34 C37 177.6(4)
C33 C34 C35 C36 0.6(6)
C34 C35 C36 C31 0.1(6)
C36 C31 C32 C33 0.2(6)
C37 C34 C35 C36 -177.9(4)
C41 P2 C51 C52 -77.3(3)
C41 P2 C51 C56 96.8(4)
C41 P2 C61 C66 142.5(4)
C41 P2 C61 C62 -33.9(4)
C41 C42 C43 C44 0.0(8)
C42 C41 C46 C45 -3.6(6)
C42 C43 C44 C45 -4.3(8)
C42 C43 C44 C47 174.0(5)
C43 C44 C45 C46 4.7(8)
C44 C45 C46 C41 -0.7(8)
C46 C41 C42 C43 4.0(7)
C51 P2 C41 C42 -173.5(3)
C51 P2 C41 C46 8.9(4)
C51 P2 C61 C66 -109.0(4)
C51 P2 C61 C62 74.6(4)
C51 C52 C53 C54 1.0(7)
C52 C51 C56 C55 2.8(6)
C52 C53 C54 C55 3.2(7)
C52 C53 C54 C57 -175.6(4)
C53 C54 C55 C56 -4.4(6)
C54 C55 C56 C51 1.4(6)
C56 C51 C52 C53 -4.0(6)
C57 C54 C55 C56 174.4(4)
C61 P2 C41 C42 -60.1(4)
C61 P2 C41 C46 122.2(4)
C61 P2 C51 C52 174.1(3)
C61 P2 C51 C56 -11.7(4)
C61 C66 C65 C64 2.4(9)
C61 C62 C63 C64 -0.6(8)
C66 C61 C62 C63 1.5(7)
C62 C61 C66 C65 -2.4(7)
C63 C64 C65 C66 -1.4(9)
C65 C64 C63 C62 0.5(8)
C17 C14 C15 C16 -177.9(5)
C67 C64 C63 C62 179.0(5)
C67 C64 C65 C66 -180.0(5)
C47 C44 C45 C46 -173.6(5)
