#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:31:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179451 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/48/4334851.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_4334851
loop_
_publ_author_name
'Robert D. Kennedy'
'Charles W. Machan'
'C. Michael McGuirk'
'Mari S. Rosen'
'Charlotte L. Stern'
'Amy A. Sarjeant'
'Chad A. Mirkin'
_publ_contact_author_name
;
;
_publ_section_title
;
 General Strategy for the Synthesis of Rigid Weak-Link Approach
 Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5876
_journal_page_last               5888
_journal_paper_doi               10.1021/ic302855f
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C74 H66 F4 P4 Pt2 S4, 4(F6 P), 4(C H3 N O2)'
_chemical_formula_sum            'C78 H78 F28 N4 O8 P8 Pt2 S4'
_chemical_formula_weight         2497.62
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-04-10
_audit_creation_method
;
  Olex2 1.1
  (compiled Nov  1 2011 20:42:30, GUI svn.r3906)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.6200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2613(3)
_cell_length_b                   18.7487(5)
_cell_length_c                   18.4005(5)
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      64.20
_cell_measurement_theta_min      2.42
_cell_volume                     4544.5(2)
_computing_cell_refinement       'SAINT V7.23A (Bruker, 2005)'
_computing_data_collection       'APEX2 V2.1-4 (Bruker, 2007)'
_computing_data_reduction        'Bruker SAINT'
_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
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      99.99
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Kappa APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Quazar optics'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46756
_diffrn_reflns_theta_full        64.64
_diffrn_reflns_theta_max         64.64
_diffrn_reflns_theta_min         2.42
_diffrn_source                   microsource
_diffrn_source_current           0.64
_diffrn_source_power             0.0285824
_diffrn_source_voltage           44.66
_exptl_absorpt_coefficient_mu    8.883
_exptl_absorpt_correction_T_max  0.7525
_exptl_absorpt_correction_T_min  0.4991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
R(int) was 0.0782 before and 0.0499 after correction.
The Ratio of minimum to maximum transmission is 0.6633.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_description       needle
_exptl_crystal_F_000             2460
_exptl_crystal_size_max          0.317
_exptl_crystal_size_mid          0.093
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.598
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         7843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0334
_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)+(0.0388P)²+13.5134P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                7162
_reflns_number_total             7843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302855f_si_002_06.cif
_cod_data_source_block           34
_cod_database_code               4334851
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'
3 '-x, -y, -z'
4 '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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.225004(12) 0.495887(9) 0.203663(9) 0.02460(8) Uani 1 1 d . . .
S1 S 0.25237(8) 0.57098(6) 0.10650(6) 0.0321(2) Uani 1 1 d . . .
S2 S 0.13305(8) 0.41447(6) 0.12497(5) 0.0286(2) Uani 1 1 d . . .
P1 P 0.34380(8) 0.56272(6) 0.27138(6) 0.0283(2) Uani 1 1 d . . .
P2 P 0.16229(8) 0.43426(6) 0.29541(6) 0.0277(2) Uani 1 1 d . . .
F1 F -0.01856(19) 0.53480(14) 0.14077(13) 0.0356(6) Uani 1 1 d . . .
F2 F -0.12580(18) 0.60623(13) 0.03303(13) 0.0342(6) Uani 1 1 d . . .
C1 C 0.3531(4) 0.6451(2) 0.2195(3) 0.0368(10) Uani 1 1 d . . .
H1A H 0.2922 0.6749 0.2227 0.044 Uiso 1 1 calc R . .
H1B H 0.4135 0.6726 0.2401 0.044 Uiso 1 1 calc R . .
C2 C 0.3618(3) 0.6262(3) 0.1403(3) 0.0376(11) Uani 1 1 d . . .
H2A H 0.4256 0.5998 0.1366 0.045 Uiso 1 1 calc R . .
H2B H 0.3627 0.6702 0.1106 0.045 Uiso 1 1 calc R . .
C3 C 0.2971(3) 0.5236(3) 0.0326(2) 0.0361(10) Uani 1 1 d . . .
C4 C 0.2628(4) 0.5481(3) -0.0375(3) 0.0444(12) Uani 1 1 d . . .
H4 H 0.2186 0.5880 -0.0441 0.053 Uiso 1 1 calc R . .
C5 C 0.2938(5) 0.5137(4) -0.0967(3) 0.0591(16) Uani 1 1 d . . .
H5 H 0.2703 0.5295 -0.1447 0.071 Uiso 1 1 calc R . .
C6 C 0.3585(5) 0.4565(4) -0.0871(3) 0.0607(16) Uani 1 1 d . . .
H6 H 0.3801 0.4334 -0.1286 0.073 Uiso 1 1 calc R . .
C7 C 0.3924(4) 0.4324(3) -0.0178(3) 0.0528(14) Uani 1 1 d . . .
H7 H 0.4371 0.3926 -0.0118 0.063 Uiso 1 1 calc R . .
C8 C 0.3617(4) 0.4658(3) 0.0434(3) 0.0419(12) Uani 1 1 d . . .
H8 H 0.3845 0.4493 0.0913 0.050 Uiso 1 1 calc R . .
C9 C 0.3284(3) 0.5892(2) 0.3642(3) 0.0339(10) Uani 1 1 d . . .
C10 C 0.2490(4) 0.6347(3) 0.3765(3) 0.0464(12) Uani 1 1 d . . .
H10 H 0.2053 0.6532 0.3364 0.056 Uiso 1 1 calc R . .
C11 C 0.2338(4) 0.6528(3) 0.4478(3) 0.0550(14) Uani 1 1 d . . .
H11 H 0.1794 0.6836 0.4562 0.066 Uiso 1 1 calc R . .
C12 C 0.2971(4) 0.6266(3) 0.5062(3) 0.0520(14) Uani 1 1 d . . .
H12 H 0.2871 0.6394 0.5547 0.062 Uiso 1 1 calc R . .
C13 C 0.3740(4) 0.5821(4) 0.4938(3) 0.0583(16) Uani 1 1 d . . .
H13 H 0.4177 0.5639 0.5341 0.070 Uiso 1 1 calc R . .
C14 C 0.3902(4) 0.5624(3) 0.4226(3) 0.0472(13) Uani 1 1 d . . .
H14 H 0.4438 0.5307 0.4148 0.057 Uiso 1 1 calc R . .
C15 C 0.4672(3) 0.5207(2) 0.2743(2) 0.0295(9) Uani 1 1 d . . .
C16 C 0.5548(3) 0.5606(3) 0.2931(2) 0.0365(11) Uani 1 1 d . . .
H16 H 0.5501 0.6102 0.3028 0.044 Uiso 1 1 calc R . .
C17 C 0.6487(3) 0.5279(3) 0.2977(3) 0.0385(11) Uani 1 1 d . . .
H17 H 0.7085 0.5554 0.3094 0.046 Uiso 1 1 calc R . .
C18 C 0.6562(3) 0.4552(3) 0.2855(2) 0.0370(11) Uani 1 1 d . . .
H18 H 0.7208 0.4327 0.2912 0.044 Uiso 1 1 calc R . .
C19 C 0.5700(4) 0.4157(3) 0.2650(3) 0.0403(11) Uani 1 1 d . . .
H19 H 0.5752 0.3661 0.2556 0.048 Uiso 1 1 calc R . .
C20 C 0.4758(3) 0.4484(3) 0.2583(3) 0.0374(11) Uani 1 1 d . . .
H20 H 0.4166 0.4215 0.2427 0.045 Uiso 1 1 calc R . .
C21 C 0.0449(3) 0.3725(2) 0.1815(2) 0.0340(10) Uani 1 1 d . . .
H21A H -0.0105 0.4059 0.1894 0.041 Uiso 1 1 calc R . .
H21B H 0.0148 0.3292 0.1570 0.041 Uiso 1 1 calc R . .
C22 C 0.1045(3) 0.3533(2) 0.2531(2) 0.0315(10) Uani 1 1 d . . .
H22A H 0.1580 0.3184 0.2450 0.038 Uiso 1 1 calc R . .
H22B H 0.0591 0.3314 0.2859 0.038 Uiso 1 1 calc R . .
C23 C 0.0589(3) 0.4812(3) 0.3296(2) 0.0327(10) Uani 1 1 d . . .
C24 C 0.0015(3) 0.4473(3) 0.3788(3) 0.0415(11) Uani 1 1 d . . .
H24 H 0.0145 0.3990 0.3923 0.050 Uiso 1 1 calc R . .
C25 C -0.0739(4) 0.4849(3) 0.4074(3) 0.0492(13) Uani 1 1 d . . .
H25 H -0.1133 0.4621 0.4406 0.059 Uiso 1 1 calc R . .
C26 C -0.0929(4) 0.5548(3) 0.3886(3) 0.0498(14) Uani 1 1 d . . .
H26 H -0.1432 0.5807 0.4104 0.060 Uiso 1 1 calc R . .
C27 C -0.0390(4) 0.5877(3) 0.3379(3) 0.0504(13) Uani 1 1 d . . .
H27 H -0.0541 0.6355 0.3234 0.061 Uiso 1 1 calc R . .
C28 C 0.0366(4) 0.5511(3) 0.3087(3) 0.0401(11) Uani 1 1 d . . .
H28 H 0.0738 0.5737 0.2740 0.048 Uiso 1 1 calc R . .
C29 C 0.2469(3) 0.4056(3) 0.3738(2) 0.0379(11) Uani 1 1 d . . .
C30 C 0.2400(4) 0.4327(4) 0.4424(3) 0.0551(15) Uani 1 1 d . . .
H30 H 0.1883 0.4661 0.4499 0.066 Uiso 1 1 calc R . .
C31 C 0.3085(5) 0.4111(5) 0.5005(3) 0.076(2) Uani 1 1 d . . .
H31 H 0.3028 0.4293 0.5480 0.091 Uiso 1 1 calc R . .
C32 C 0.3841(5) 0.3642(5) 0.4908(4) 0.083(3) Uani 1 1 d . . .
H32 H 0.4295 0.3488 0.5315 0.100 Uiso 1 1 calc R . .
C33 C 0.3944(5) 0.3394(4) 0.4219(4) 0.074(2) Uani 1 1 d . . .
H33 H 0.4491 0.3085 0.4144 0.089 Uiso 1 1 calc R . .
C34 C 0.3254(4) 0.3593(3) 0.3635(3) 0.0523(14) Uani 1 1 d . . .
H34 H 0.3317 0.3411 0.3160 0.063 Uiso 1 1 calc R . .
C35 C 0.0550(3) 0.4619(2) 0.0564(2) 0.0287(9) Uani 1 1 d . . .
C36 C -0.0091(3) 0.5172(2) 0.0713(2) 0.0296(9) Uani 1 1 d . . .
C37 C -0.0638(3) 0.5546(2) 0.0162(2) 0.0294(9) Uani 1 1 d . . .
P3 P 0.09057(12) 0.7500 -0.00232(9) 0.0339(4) Uani 1 2 d S . .
F3 F -0.0228(3) 0.7500 -0.0428(2) 0.0535(11) Uani 1 2 d S . .
F4 F 0.2042(3) 0.7500 0.0370(2) 0.0491(10) Uani 1 2 d S . .
F5 F 0.0606(2) 0.69005(16) 0.05191(17) 0.0543(8) Uani 1 1 d . . .
F6 F 0.1206(2) 0.6903(2) -0.05717(18) 0.0676(10) Uani 1 1 d . . .
P4 P 0.72912(16) 0.7500 0.31474(11) 0.0472(5) Uani 1 2 d S . .
F7 F 0.6118(4) 0.7500 0.2949(3) 0.0635(12) Uani 1 2 d S . .
F8 F 0.7184(3) 0.68934(18) 0.37356(18) 0.0660(9) Uani 1 1 d . . .
F9 F 0.8498(4) 0.7500 0.3360(3) 0.0577(11) Uani 1 2 d S . .
F10 F 0.7404(2) 0.80973(17) 0.25486(16) 0.0543(8) Uani 1 1 d . . .
P5 P 0.36887(13) 0.2500 0.15631(9) 0.0360(4) Uani 1 2 d S . .
F11 F 0.4485(4) 0.2500 0.2261(3) 0.0700(14) Uani 1 2 d S . .
F12 F 0.2905(5) 0.2500 0.0852(3) 0.106(2) Uani 1 2 d S . .
F13 F 0.3072(3) 0.3107(2) 0.1890(2) 0.0906(14) Uani 1 1 d . . .
F14 F 0.4344(4) 0.3089(3) 0.1230(3) 0.1135(17) Uani 1 1 d . . .
P6 P -0.15775(12) 0.2500 0.31295(9) 0.0343(4) Uani 1 2 d S . .
F15 F -0.2737(3) 0.2500 0.2825(3) 0.0665(13) Uani 1 2 d S A .
F16 F -0.0385(3) 0.2500 0.3445(2) 0.0424(9) Uani 1 2 d S A .
F17 F -0.1784(14) 0.2069(11) 0.3805(8) 0.136(10) Uani 0.50 1 d P A -1
F18 F -0.1306(12) 0.2884(9) 0.2438(7) 0.125(9) Uani 0.50 1 d P A -1
F19 F -0.1418(11) 0.1794(8) 0.2719(9) 0.106(7) Uani 0.50 1 d P A -1
F20 F -0.1711(11) 0.3196(8) 0.3527(11) 0.124(8) Uani 0.50 1 d P A -1
O1 O 0.4077(4) 0.6938(3) -0.0156(3) 0.111(2) Uani 1 1 d . . .
N1 N 0.3879(4) 0.7500 -0.0447(4) 0.0487(16) Uani 1 2 d S . .
C38 C 0.3378(6) 0.7500 -0.1178(4) 0.060(2) Uani 1 2 d S . .
H38A H 0.3786 0.7232 -0.1496 0.090 Uiso 0.50 1 calc PR B -1
H38B H 0.3296 0.7992 -0.1354 0.090 Uiso 0.50 1 calc PR B -1
H38C H 0.2710 0.7276 -0.1185 0.090 Uiso 0.50 1 calc PR B -1
O2 O 0.5560(3) 0.6920(3) 0.1423(3) 0.0758(13) Uani 1 1 d . . .
N2 N 0.5914(5) 0.7500 0.1255(4) 0.0581(18) Uani 1 2 d S . .
C39 C 0.6810(7) 0.7500 0.0856(5) 0.063(2) Uani 1 2 d S . .
H39A H 0.6627 0.7697 0.0365 0.094 Uiso 0.50 1 calc PR C -1
H39B H 0.7056 0.7010 0.0816 0.094 Uiso 0.50 1 calc PR C -1
H39C H 0.7345 0.7793 0.1120 0.094 Uiso 0.50 1 calc PR C -1
O3 O 0.0991(3) 0.6935(3) 0.2184(2) 0.0718(12) Uani 1 1 d . . .
N3 N 0.0559(5) 0.7500 0.2074(3) 0.0478(15) Uani 1 2 d S . .
C40 C -0.0520(6) 0.7500 0.1773(4) 0.064(3) Uani 1 2 d S . .
H40A H -0.0601 0.7242 0.1307 0.097 Uiso 0.50 1 calc PR D -1
H40B H -0.0754 0.7993 0.1694 0.097 Uiso 0.50 1 calc PR D -1
H40C H -0.0922 0.7265 0.2119 0.097 Uiso 0.50 1 calc PR D -1
O4 O 0.0092(4) 0.3079(3) 0.5130(3) 0.0957(19) Uani 1 1 d . . .
N4 N 0.0466(5) 0.2500 0.5025(3) 0.0515(16) Uani 1 2 d S . .
C41 C 0.1423(6) 0.2500 0.4733(5) 0.059(2) Uani 1 2 d S . .
H41A H 0.1334 0.2694 0.4235 0.089 Uiso 0.50 1 calc PR E -1
H41B H 0.1681 0.2011 0.4722 0.089 Uiso 0.50 1 calc PR E -1
H41C H 0.1909 0.2795 0.5042 0.089 Uiso 0.50 1 calc PR E -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
S1 Pt1 S2 92.02(4) . .
P1 Pt1 S1 85.88(4) . .
P1 Pt1 S2 167.49(4) . .
P1 Pt1 P2 99.36(4) . .
P2 Pt1 S1 166.85(4) . .
P2 Pt1 S2 85.37(4) . .
C2 S1 Pt1 105.54(15) . .
C3 S1 Pt1 112.22(16) . .
C3 S1 C2 102.7(2) . .
C21 S2 Pt1 104.46(14) . .
C35 S2 Pt1 109.38(15) . .
C35 S2 C21 105.1(2) . .
C1 P1 Pt1 105.34(16) . .
C9 P1 Pt1 121.47(14) . .
C9 P1 C1 106.4(2) . .
C15 P1 Pt1 110.10(15) . .
C15 P1 C1 105.5(2) . .
C15 P1 C9 106.9(2) . .
C22 P2 Pt1 106.01(14) . .
C23 P2 Pt1 111.57(16) . .
C23 P2 C22 104.8(2) . .
C23 P2 C29 107.1(2) . .
C29 P2 Pt1 119.78(15) . .
C29 P2 C22 106.5(2) . .
P1 C1 H1A 109.9 . .
P1 C1 H1B 109.9 . .
H1A C1 H1B 108.3 . .
C2 C1 P1 108.8(3) . .
C2 C1 H1A 109.9 . .
C2 C1 H1B 109.9 . .
S1 C2 H2A 110.0 . .
S1 C2 H2B 110.0 . .
C1 C2 S1 108.2(3) . .
C1 C2 H2A 110.0 . .
C1 C2 H2B 110.0 . .
H2A C2 H2B 108.4 . .
C4 C3 S1 116.1(4) . .
C8 C3 S1 122.5(4) . .
C8 C3 C4 121.4(5) . .
C3 C4 H4 120.5 . .
C5 C4 C3 119.0(5) . .
C5 C4 H4 120.5 . .
C4 C5 H5 119.8 . .
C4 C5 C6 120.5(5) . .
C6 C5 H5 119.8 . .
C5 C6 H6 119.8 . .
C5 C6 C7 120.5(5) . .
C7 C6 H6 119.8 . .
C6 C7 H7 119.8 . .
C6 C7 C8 120.4(6) . .
C8 C7 H7 119.8 . .
C3 C8 C7 118.2(5) . .
C3 C8 H8 120.9 . .
C7 C8 H8 120.9 . .
C10 C9 P1 119.4(4) . .
C14 C9 P1 121.0(4) . .
C14 C9 C10 119.5(5) . .
C9 C10 H10 120.1 . .
C11 C10 C9 119.8(5) . .
C11 C10 H10 120.1 . .
C10 C11 H11 119.8 . .
C12 C11 C10 120.5(5) . .
C12 C11 H11 119.8 . .
C11 C12 H12 120.3 . .
C13 C12 C11 119.4(5) . .
C13 C12 H12 120.3 . .
C12 C13 H13 119.4 . .
C12 C13 C14 121.2(5) . .
C14 C13 H13 119.4 . .
C9 C14 C13 119.6(5) . .
C9 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C16 C15 P1 120.0(4) . .
C16 C15 C20 119.3(4) . .
C20 C15 P1 120.8(3) . .
C15 C16 H16 120.1 . .
C17 C16 C15 119.9(5) . .
C17 C16 H16 120.1 . .
C16 C17 H17 119.8 . .
C16 C17 C18 120.5(4) . .
C18 C17 H17 119.8 . .
C17 C18 H18 120.0 . .
C19 C18 C17 120.0(4) . .
C19 C18 H18 120.0 . .
C18 C19 H19 120.1 . .
C18 C19 C20 119.8(5) . .
C20 C19 H19 120.1 . .
C15 C20 H20 119.8 . .
C19 C20 C15 120.5(4) . .
C19 C20 H20 119.8 . .
S2 C21 H21A 110.3 . .
S2 C21 H21B 110.3 . .
H21A C21 H21B 108.5 . .
C22 C21 S2 107.3(3) . .
C22 C21 H21A 110.3 . .
C22 C21 H21B 110.3 . .
P2 C22 H22A 109.9 . .
P2 C22 H22B 109.9 . .
C21 C22 P2 109.1(3) . .
C21 C22 H22A 109.9 . .
C21 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
C24 C23 P2 119.7(4) . .
C28 C23 P2 120.7(4) . .
C28 C23 C24 119.6(4) . .
C23 C24 H24 120.4 . .
C25 C24 C23 119.2(5) . .
C25 C24 H24 120.4 . .
C24 C25 H25 119.6 . .
C26 C25 C24 120.9(5) . .
C26 C25 H25 119.6 . .
C25 C26 H26 120.0 . .
C25 C26 C27 120.1(5) . .
C27 C26 H26 120.0 . .
C26 C27 H27 120.1 . .
C28 C27 C26 119.9(5) . .
C28 C27 H27 120.1 . .
C23 C28 H28 119.9 . .
C27 C28 C23 120.3(5) . .
C27 C28 H28 119.9 . .
C30 C29 P2 121.6(4) . .
C30 C29 C34 119.2(5) . .
C34 C29 P2 119.0(4) . .
C29 C30 H30 120.1 . .
C29 C30 C31 119.7(6) . .
C31 C30 H30 120.1 . .
C30 C31 H31 119.5 . .
C32 C31 C30 121.1(6) . .
C32 C31 H31 119.5 . .
C31 C32 H32 120.2 . .
C31 C32 C33 119.6(6) . .
C33 C32 H32 120.2 . .
C32 C33 H33 120.0 . .
C32 C33 C34 120.0(7) . .
C34 C33 H33 120.0 . .
C29 C34 H34 119.9 . .
C33 C34 C29 120.3(6) . .
C33 C34 H34 119.9 . .
C36 C35 S2 123.6(3) . .
C36 C35 C37 118.5(4) . 3_565
C37 C35 S2 117.7(3) 3_565 .
F1 C36 C35 120.0(4) . .
F1 C36 C37 118.6(4) . .
C37 C36 C35 121.4(4) . .
F2 C37 C35 120.6(4) . 3_565
F2 C37 C36 119.4(4) . .
C36 C37 C35 120.0(4) . 3_565
F4 P3 F3 179.2(2) . .
F5 P3 F3 90.17(17) 4_575 .
F5 P3 F3 90.17(17) . .
F5 P3 F4 90.38(17) 4_575 .
F5 P3 F4 90.38(17) . .
F5 P3 F5 90.4(3) . 4_575
F5 P3 F6 179.6(2) . 4_575
F5 P3 F6 179.6(2) 4_575 .
F5 P3 F6 89.99(19) . .
F5 P3 F6 89.99(19) 4_575 4_575
F6 P3 F3 89.69(17) . .
F6 P3 F3 89.69(17) 4_575 .
F6 P3 F4 89.76(17) . .
F6 P3 F4 89.76(17) 4_575 .
F6 P3 F6 89.6(3) 4_575 .
F7 P4 F8 89.7(2) . 4_575
F7 P4 F8 89.7(2) . .
F7 P4 F9 179.5(3) . .
F7 P4 F10 90.50(19) . .
F7 P4 F10 90.50(19) . 4_575
F8 P4 F8 91.5(3) . 4_575
F8 P4 F9 90.0(2) 4_575 .
F8 P4 F9 90.0(2) . .
F8 P4 F10 89.48(17) . 4_575
F8 P4 F10 179.0(2) . .
F8 P4 F10 89.48(17) 4_575 .
F8 P4 F10 179.0(2) 4_575 4_575
F10 P4 F9 89.87(19) 4_575 .
F10 P4 F9 89.87(19) . .
F10 P4 F10 89.5(3) 4_575 .
F11 P5 F12 178.9(4) . .
F11 P5 F14 88.2(3) . 4_565
F11 P5 F14 88.2(3) . .
F13 P5 F11 91.0(2) 4_565 .
F13 P5 F11 91.0(2) . .
F13 P5 F12 89.7(2) . .
F13 P5 F12 89.7(2) 4_565 .
F13 P5 F13 93.5(4) 4_565 .
F13 P5 F14 177.7(3) . 4_565
F13 P5 F14 88.6(3) 4_565 4_565
F13 P5 F14 177.7(3) 4_565 .
F13 P5 F14 88.6(3) . .
F14 P5 F12 91.0(3) . .
F14 P5 F12 91.0(3) 4_565 .
F14 P5 F14 89.2(4) . 4_565
F15 P6 F16 179.9(3) . .
F17 P6 F15 91.7(7) 4_565 .
F17 P6 F15 91.7(7) . .
F17 P6 F16 88.1(7) 4_565 .
F17 P6 F16 88.1(7) . .
F17 P6 F17 63.6(16) . 4_565
F17 P6 F18 120.2(10) . 4_565
F17 P6 F18 120.2(10) 4_565 .
F17 P6 F18 175.2(11) 4_565 4_565
F17 P6 F18 175.2(11) . .
F17 P6 F19 153.1(11) 4_565 .
F17 P6 F19 89.5(9) . .
F17 P6 F19 89.5(9) 4_565 4_565
F17 P6 F19 153.1(11) . 4_565
F18 P6 F15 91.0(6) . .
F18 P6 F15 91.0(6) 4_565 .
F18 P6 F16 89.1(6) 4_565 .
F18 P6 F16 89.1(6) . .
F18 P6 F18 55.8(13) 4_565 .
F18 P6 F19 86.5(10) . .
F18 P6 F19 30.8(9) 4_565 .
F18 P6 F19 30.7(9) . 4_565
F18 P6 F19 86.5(10) 4_565 4_565
F19 P6 F15 90.5(6) . .
F19 P6 F15 90.5(6) 4_565 .
F19 P6 F16 89.6(6) . .
F19 P6 F16 89.6(6) 4_565 .
F19 P6 F19 117.3(13) . 4_565
F20 P6 F15 90.5(6) . .
F20 P6 F15 90.5(6) 4_565 .
F20 P6 F16 89.4(6) 4_565 .
F20 P6 F16 89.4(6) . .
F20 P6 F17 91.2(11) 4_565 4_565
F20 P6 F17 27.6(12) . 4_565
F20 P6 F17 27.6(12) 4_565 .
F20 P6 F17 91.2(11) . .
F20 P6 F18 92.7(10) 4_565 4_565
F20 P6 F18 148.5(12) . 4_565
F20 P6 F18 92.7(10) . .
F20 P6 F18 148.5(12) 4_565 .
F20 P6 F19 62.0(9) 4_565 .
F20 P6 F19 178.8(10) . .
F20 P6 F19 178.8(10) 4_565 4_565
F20 P6 F19 62.0(9) . 4_565
F20 P6 F20 118.8(17) . 4_565
O1 N1 O1 123.2(9) 4_575 .
O1 N1 C38 118.4(5) 4_575 .
O1 N1 C38 118.4(5) . .
N1 C38 H38A 109.5 . .
N1 C38 H38B 109.5 . .
N1 C38 H38C 109.5 . .
O2 N2 O2 123.1(7) 4_575 .
O2 N2 C39 118.5(4) . .
O2 N2 C39 118.5(4) 4_575 .
N2 C39 H39A 109.5 . .
N2 C39 H39B 109.5 . .
N2 C39 H39C 109.5 . .
H39A C39 H39B 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O3 N3 O3 122.2(7) 4_575 .
O3 N3 C40 118.9(3) . .
O3 N3 C40 118.9(3) 4_575 .
N3 C40 H40A 109.5 . .
N3 C40 H40B 109.5 . .
N3 C40 H40C 109.5 . .
O4 N4 O4 126.0(8) 4_565 .
O4 N4 C41 117.0(4) . .
O4 N4 C41 117.0(4) 4_565 .
N4 C41 H41A 109.5 . .
N4 C41 H41B 109.5 . .
N4 C41 H41C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 S1 2.3366(10) .
Pt1 S2 2.3466(10) .
Pt1 P1 2.2698(11) .
Pt1 P2 2.2804(10) .
S1 C2 1.832(5) .
S1 C3 1.782(5) .
S2 C21 1.829(4) .
S2 C35 1.776(4) .
P1 C1 1.827(5) .
P1 C9 1.813(5) .
P1 C15 1.812(4) .
P2 C22 1.832(4) .
P2 C23 1.803(5) .
P2 C29 1.804(5) .
F1 C36 1.341(5) .
F2 C37 1.329(5) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C1 C2 1.518(7) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.395(7) .
C3 C8 1.383(7) .
C4 H4 0.9500 .
C4 C5 1.368(8) .
C5 H5 0.9500 .
C5 C6 1.372(9) .
C6 H6 0.9500 .
C6 C7 1.380(8) .
C7 H7 0.9500 .
C7 C8 1.390(7) .
C8 H8 0.9500 .
C9 C10 1.394(7) .
C9 C14 1.370(7) .
C10 H10 0.9500 .
C10 C11 1.392(7) .
C11 H11 0.9500 .
C11 C12 1.375(8) .
C12 H12 0.9500 .
C12 C13 1.357(8) .
C13 H13 0.9500 .
C13 C14 1.401(7) .
C14 H14 0.9500 .
C15 C16 1.391(6) .
C15 C20 1.394(7) .
C16 H16 0.9500 .
C16 C17 1.381(7) .
C17 H17 0.9500 .
C17 C18 1.387(8) .
C18 H18 0.9500 .
C18 C19 1.378(7) .
C19 H19 0.9500 .
C19 C20 1.386(6) .
C20 H20 0.9500 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C21 C22 1.501(6) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.401(7) .
C23 C28 1.387(7) .
C24 H24 0.9500 .
C24 C25 1.377(7) .
C25 H25 0.9500 .
C25 C26 1.372(8) .
C26 H26 0.9500 .
C26 C27 1.385(8) .
C27 H27 0.9500 .
C27 C28 1.375(7) .
C28 H28 0.9500 .
C29 C30 1.373(7) .
C29 C34 1.386(8) .
C30 H30 0.9500 .
C30 C31 1.382(8) .
C31 H31 0.9500 .
C31 C32 1.361(11) .
C32 H32 0.9500 .
C32 C33 1.372(11) .
C33 H33 0.9500 .
C33 C34 1.380(8) .
C34 H34 0.9500 .
C35 C36 1.387(6) .
C35 C37 1.390(6) 3_565
C36 C37 1.370(6) .
C37 C35 1.390(6) 3_565
P3 F3 1.599(4) .
P3 F4 1.595(4) .
P3 F5 1.584(3) .
P3 F5 1.584(3) 4_575
P3 F6 1.588(3) 4_575
P3 F6 1.588(3) .
P4 F7 1.557(5) .
P4 F8 1.588(3) .
P4 F8 1.588(3) 4_575
P4 F9 1.603(5) .
P4 F10 1.590(3) .
P4 F10 1.590(3) 4_575
P5 F11 1.566(5) .
P5 F12 1.574(6) .
P5 F13 1.561(4) 4_565
P5 F13 1.561(4) .
P5 F14 1.573(4) .
P5 F14 1.573(4) 4_565
P6 F15 1.575(5) .
P6 F16 1.621(4) .
P6 F17 1.534(12) .
P6 F17 1.534(12) 4_565
P6 F18 1.540(12) 4_565
P6 F18 1.540(12) .
P6 F19 1.550(13) .
P6 F19 1.550(13) 4_565
P6 F20 1.517(12) 4_565
P6 F20 1.517(12) .
O1 N1 1.198(6) .
N1 O1 1.198(6) 4_575
N1 C38 1.429(10) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
O2 N2 1.237(5) .
N2 O2 1.237(5) 4_575
N2 C39 1.468(10) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
O3 N3 1.211(5) .
N3 O3 1.211(5) 4_575
N3 C40 1.474(10) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
O4 N4 1.218(6) .
N4 O4 1.218(6) 4_565
N4 C41 1.434(10) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Pt1 S1 C2 C1 -38.7(3) . .
Pt1 S1 C3 C4 144.5(3) . .
Pt1 S1 C3 C8 -35.3(5) . .
Pt1 S2 C21 C22 -45.9(3) . .
Pt1 S2 C35 C36 -49.9(4) . .
Pt1 S2 C35 C37 125.8(3) . 3_565
Pt1 P1 C1 C2 -47.5(3) . .
Pt1 P1 C9 C10 -64.6(4) . .
Pt1 P1 C9 C14 112.0(4) . .
Pt1 P1 C15 C16 160.8(3) . .
Pt1 P1 C15 C20 -19.6(4) . .
Pt1 P2 C22 C21 -43.2(3) . .
Pt1 P2 C23 C24 171.1(3) . .
Pt1 P2 C23 C28 -10.1(4) . .
Pt1 P2 C29 C30 114.1(4) . .
Pt1 P2 C29 C34 -61.0(4) . .
S1 Pt1 S2 C21 -151.56(17) . .
S1 Pt1 S2 C35 -39.48(15) . .
S1 Pt1 P1 C1 17.82(16) . .
S1 Pt1 P1 C9 138.52(19) . .
S1 Pt1 P1 C15 -95.49(16) . .
S1 Pt1 P2 C22 90.0(2) . .
S1 Pt1 P2 C23 -23.5(3) . .
S1 Pt1 P2 C29 -149.7(2) . .
S1 C3 C4 C5 -179.6(4) . .
S1 C3 C8 C7 -179.9(4) . .
S2 Pt1 S1 C2 -159.61(17) . .
S2 Pt1 S1 C3 -48.46(17) . .
S2 Pt1 P1 C1 98.6(2) . .
S2 Pt1 P1 C9 -140.7(2) . .
S2 Pt1 P1 C15 -14.8(3) . .
S2 Pt1 P2 C22 10.98(15) . .
S2 Pt1 P2 C23 -102.49(16) . .
S2 Pt1 P2 C29 131.3(2) . .
S2 C21 C22 P2 58.2(4) . .
S2 C35 C36 F1 -3.7(6) . .
S2 C35 C36 C37 176.5(3) . .
P1 Pt1 S1 C2 8.04(17) . .
P1 Pt1 S1 C3 119.19(17) . .
P1 Pt1 S2 C21 128.4(2) . .
P1 Pt1 S2 C35 -119.6(2) . .
P1 Pt1 P2 C22 -157.35(15) . .
P1 Pt1 P2 C23 89.18(16) . .
P1 Pt1 P2 C29 -37.0(2) . .
P1 C1 C2 S1 56.2(4) . .
P1 C9 C10 C11 177.2(4) . .
P1 C9 C14 C13 -177.7(4) . .
P1 C15 C16 C17 177.8(3) . .
P1 C15 C20 C19 -176.0(4) . .
P2 Pt1 S1 C2 122.1(2) . .
P2 Pt1 S1 C3 -126.7(2) . .
P2 Pt1 S2 C21 15.52(17) . .
P2 Pt1 S2 C35 127.61(15) . .
P2 Pt1 P1 C1 -150.03(16) . .
P2 Pt1 P1 C9 -29.33(19) . .
P2 Pt1 P1 C15 96.66(16) . .
P2 C23 C24 C25 176.7(4) . .
P2 C23 C28 C27 -176.6(4) . .
P2 C29 C30 C31 -177.8(4) . .
P2 C29 C34 C33 176.6(5) . .
F1 C36 C37 F2 -1.2(6) . .
F1 C36 C37 C35 179.4(4) . 3_565
C1 P1 C9 C10 55.6(4) . .
C1 P1 C9 C14 -127.8(4) . .
C1 P1 C15 C16 47.6(4) . .
C1 P1 C15 C20 -132.8(4) . .
C2 S1 C3 C4 -102.6(4) . .
C2 S1 C3 C8 77.6(5) . .
C3 S1 C2 C1 -156.4(3) . .
C3 C4 C5 C6 -0.7(9) . .
C4 C3 C8 C7 0.3(8) . .
C4 C5 C6 C7 0.7(10) . .
C5 C6 C7 C8 -0.2(9) . .
C6 C7 C8 C3 -0.3(8) . .
C8 C3 C4 C5 0.2(8) . .
C9 P1 C1 C2 -177.7(3) . .
C9 P1 C15 C16 -65.3(4) . .
C9 P1 C15 C20 114.2(4) . .
C9 C10 C11 C12 0.4(9) . .
C10 C9 C14 C13 -1.2(8) . .
C10 C11 C12 C13 -0.7(9) . .
C11 C12 C13 C14 0.1(9) . .
C12 C13 C14 C9 0.9(9) . .
C14 C9 C10 C11 0.6(8) . .
C15 P1 C1 C2 69.0(4) . .
C15 P1 C9 C10 168.0(4) . .
C15 P1 C9 C14 -15.4(5) . .
C15 C16 C17 C18 -1.6(7) . .
C16 C15 C20 C19 3.6(7) . .
C16 C17 C18 C19 3.2(7) . .
C17 C18 C19 C20 -1.4(7) . .
C18 C19 C20 C15 -2.0(7) . .
C20 C15 C16 C17 -1.8(7) . .
C21 S2 C35 C36 61.7(4) . .
C21 S2 C35 C37 -122.5(4) . 3_565
C22 P2 C23 C24 56.9(4) . .
C22 P2 C23 C28 -124.3(4) . .
C22 P2 C29 C30 -125.9(4) . .
C22 P2 C29 C34 59.1(4) . .
C23 P2 C22 C21 74.9(3) . .
C23 P2 C29 C30 -14.2(5) . .
C23 P2 C29 C34 170.7(4) . .
C23 C24 C25 C26 -0.4(8) . .
C24 C23 C28 C27 2.2(7) . .
C24 C25 C26 C27 2.8(8) . .
C25 C26 C27 C28 -2.7(8) . .
C26 C27 C28 C23 0.2(8) . .
C28 C23 C24 C25 -2.1(7) . .
C29 P2 C22 C21 -171.8(3) . .
C29 P2 C23 C24 -56.0(4) . .
C29 P2 C23 C28 122.8(4) . .
C29 C30 C31 C32 1.1(10) . .
C30 C29 C34 C33 1.4(8) . .
C30 C31 C32 C33 1.9(10) . .
C31 C32 C33 C34 -3.2(10) . .
C32 C33 C34 C29 1.5(10) . .
C34 C29 C30 C31 -2.7(8) . .
C35 S2 C21 C22 -161.0(3) . .
C35 C36 C37 F2 178.6(4) . .
C35 C36 C37 C35 -0.8(7) . 3_565
C37 C35 C36 F1 -179.4(4) 3_565 .
C37 C35 C36 C37 0.7(7) 3_565 .
