#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/48/4084834.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_4084834
loop_
_publ_author_name
'Baranová, Zuzana'
'Amini, Hashem'
'Bhuvanesh, Nattamai'
'Gladysz, John A.'
_publ_section_title
;
 Rotaxanes Derived from Dimetallic Polyynediyl Complexes: Extended Axles
 and Expanded Macrocycles
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6746
_journal_paper_doi               10.1021/om501026u
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety
'C108 H84 F10 P4 Pt2, C42 H42 N2 O4, 0.5(C H Cl3)'
_chemical_formula_sum            'C150.5 H126.5 Cl1.5 F10 N2 O4 P4 Pt2'
_chemical_formula_weight         2784.26
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2013-12-10
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_cell_angle_alpha                92.508(3)
_cell_angle_beta                 96.172(3)
_cell_angle_gamma                107.174(3)
_cell_formula_units_Z            2
_cell_length_a                   12.601(3)
_cell_length_b                   20.408(4)
_cell_length_c                   26.978(5)
_cell_measurement_reflns_used    9144
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      27.302
_cell_measurement_theta_min      2.926
_cell_volume                     6569(2)
_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
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            186612
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        24.415
_diffrn_reflns_theta_max         27.362
_diffrn_reflns_theta_min         2.591
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.091
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1952 before and 0.0504 after correction.
The Ratio of minimum to maximum transmission is 0.8644.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_description       plate
_exptl_crystal_F_000             2814
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.302
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.076
_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     1634
_refine_ls_number_reflns         32484
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0072P)²+9.4983P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0595
_refine_ls_wR_factor_ref         0.0617
_reflns_Friedel_coverage         0.000
_reflns_number_gt                28628
_reflns_number_total             32484
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om501026u_si_005.cif
_cod_data_source_block           8229
_cod_depositor_comments
'Adding full bibliography for 4084834--4084835.cif.'
_cod_original_formula_sum        'C150.50 H126.50 Cl1.50 F10 N2 O4 P4 Pt2'
_cod_database_code               4084834
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_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   0.959
_shelx_estimated_absorpt_t_min   0.851
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl3S-C1S \\sim Cl3T-C1T \\sim Cl1S-C1S \\sim Cl1T-C1T \\sim Cl2S-C1S \\sim
Cl2T-C1T
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl1S \\sim Cl2S \\sim Cl3S \\sim Cl2T \\sim Cl1T \\sim Cl3T \\sim C1S \\sim
C1T: within 1.7A with sigma of 1.7 and sigma for terminal atoms of 3.4
4. Rigid body (RIGU) restrains
 Cl1S, Cl2S, Cl3S, Cl2T, Cl1T, Cl3T, C1S, C1T
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C1T)=Sof(H1T)=Sof(Cl2T)=Sof(Cl1T)=Sof(Cl3T)=0.5*(1-FVAR(2))
 Sof(C1S)=Sof(H1S)=Sof(Cl1S)=Sof(Cl2S)=Sof(Cl3S)=0.5*FVAR(2)
6.a Ternary CH refined with riding coordinates:
 C1S(H1S), C1T(H1T)
6.b Secondary CH2 refined with riding coordinates:
 C19M(H19A,H19B), C20M(H20A,H20B), C21M(H21A,H21B), C22M(H22A,H22B), C23M(H23A,
 H23B), C24M(H24A,H24B), C31M(H31A,H31B), C32M(H32D,H32E), C33M(H33A,H33B),
 C34M(H34A,H34B), C35M(H35A,H35B), C36M(H36A,H36B)
6.c Aromatic/amide H refined with riding coordinates:
 C20(H20), C21(H21), C23(H23), C24(H24), C27(H27), C28(H28), C30(H30),
 C31(H31), C34(H34), C35(H35), C37(H37), C38(H38), C41(H41), C42(H42), C44(H44),
  C45(H45), C48(H48), C49(H49), C51(H51), C52(H52), C55(H55), C56(H56),
 C58(H58), C59(H59), C68(H68), C69(H69), C71(H71), C72(H72), C75(H75), C76(H76),
  C78(H78), C79(H79), C82(H82), C83(H83), C85(H85), C86(H86), C89(H89),
 C90(H90), C92(H92), C93(H93), C96(H96), C97(H97), C99(H99), C100(H100),
 C103(H103), C104(H104), C106(H106), C107(H107), C2M(H2M), C3M(H3M), C6M(H6M),
 C7M(H7M), C10M(H10M), C11M(H11M), C14M(H14M), C15M(H15M), C17M(H17M),
 C18M(H18M), C26M(H26M), C27M(H27M), C28M(H28M), C30M(H30M), C38M(H38M),
 C39M(H39M), C41M(H41M), C42M(H42M)
6.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C32(H32A,H32B,H32C), C39(H39A,H39B,H39C), C46(H46A,H46B,
 H46C), C53(H53A,H53B,H53C), C60(H60A,H60B,H60C), C73(H73A,H73B,H73C), C80(H80A,
 H80B,H80C), C87(H87A,H87B,H87C), C94(H94A,H94B,H94C), C101(H10A,H10B,H10C),
 C108(H10D,H10E,H10F)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.25393(2) 0.78598(2) 0.06157(2) 0.01856(2) Uani 1 1 d . . . . .
Pt2 Pt -0.23441(2) 0.69966(2) 0.66598(2) 0.02023(2) Uani 1 1 d . . . . .
P1 P 0.31524(6) 0.69614(3) 0.09146(2) 0.02285(12) Uani 1 1 d . . . . .
P2 P 0.20527(5) 0.88206(3) 0.04054(2) 0.01879(11) Uani 1 1 d . . . . .
P3 P -0.08076(5) 0.77852(3) 0.71186(2) 0.02001(12) Uani 1 1 d . . . . .
P4 P -0.38262(5) 0.61945(3) 0.61771(2) 0.02237(12) Uani 1 1 d . . . . .
F1 F 0.48377(12) 0.80116(8) 0.01109(6) 0.0309(3) Uani 1 1 d . . . . .
F2 F 0.51620(12) 0.75192(8) -0.07817(6) 0.0309(3) Uani 1 1 d . . . . .
F3 F 0.33909(13) 0.69890(8) -0.15122(5) 0.0297(3) Uani 1 1 d . . . . .
F4 F 0.12979(13) 0.69460(9) -0.13268(5) 0.0328(3) Uani 1 1 d . . . . .
F5 F 0.09376(11) 0.73456(8) -0.04101(5) 0.0270(3) Uani 1 1 d . . . . .
F6 F -0.22036(15) 0.56425(9) 0.71692(6) 0.0387(4) Uani 1 1 d . . . . .
F7 F -0.29564(17) 0.50641(11) 0.79931(8) 0.0549(5) Uani 1 1 d . . . . .
F8 F -0.40530(17) 0.56818(12) 0.85847(7) 0.0594(6) Uani 1 1 d . . . . .
F9 F -0.44581(16) 0.68729(11) 0.83222(7) 0.0528(5) Uani 1 1 d . . . . .
F10 F -0.37608(13) 0.74428(8) 0.74883(6) 0.0335(3) Uani 1 1 d . . . . .
C1 C 0.2038(2) 0.79210(12) 0.12884(9) 0.0215(5) Uani 1 1 d . . . . .
C2 C 0.1719(2) 0.78873(13) 0.17009(9) 0.0234(5) Uani 1 1 d . . . . .
C3 C 0.1394(2) 0.78346(13) 0.21672(9) 0.0252(5) Uani 1 1 d . . . . .
C4 C 0.1098(2) 0.77881(14) 0.25846(10) 0.0282(5) Uani 1 1 d . . . . .
C5 C 0.0729(2) 0.77345(15) 0.30396(10) 0.0314(6) Uani 1 1 d . . . . .
C6 C 0.0379(3) 0.76883(16) 0.34456(10) 0.0349(6) Uani 1 1 d . . . . .
C7 C -0.0001(3) 0.76333(16) 0.38981(10) 0.0351(6) Uani 1 1 d . . . . .
C8 C -0.0337(3) 0.75822(15) 0.43052(10) 0.0341(6) Uani 1 1 d . . . . .
C9 C -0.0714(2) 0.75275(15) 0.47586(10) 0.0320(6) Uani 1 1 d . . . . .
C10 C -0.1041(2) 0.74867(14) 0.51696(9) 0.0275(5) Uani 1 1 d . . . . .
C11 C -0.1418(2) 0.74318(13) 0.56250(9) 0.0258(5) Uani 1 1 d . . . . .
C12 C -0.1776(2) 0.73310(13) 0.60260(9) 0.0238(5) Uani 1 1 d . . . . .
C13 C 0.28759(19) 0.76807(12) -0.01005(8) 0.0197(4) Uani 1 1 d . . . . .
C14 C 0.3929(2) 0.77373(13) -0.02323(9) 0.0224(5) Uani 1 1 d . . . . .
C15 C 0.4123(2) 0.75045(13) -0.06941(9) 0.0231(5) Uani 1 1 d . . . . .
C16 C 0.3231(2) 0.72309(13) -0.10625(9) 0.0237(5) Uani 1 1 d . . . . .
C17 C 0.2167(2) 0.72016(13) -0.09637(9) 0.0233(5) Uani 1 1 d . . . . .
C18 C 0.20133(19) 0.74166(12) -0.04901(9) 0.0206(4) Uani 1 1 d . . . . .
C19 C 0.3835(2) 0.72109(15) 0.15526(9) 0.0292(6) Uani 1 1 d . . . . .
C20 C 0.4590(2) 0.78693(16) 0.16516(10) 0.0352(6) Uani 1 1 d . . . . .
H20 H 0.4736 0.8165 0.1388 0.042 Uiso 1 1 calc R U . . .
C21 C 0.5129(3) 0.80978(19) 0.21310(12) 0.0456(8) Uani 1 1 d . . . . .
H21 H 0.5643 0.8548 0.2191 0.055 Uiso 1 1 calc R U . . .
C22 C 0.4931(3) 0.7682(2) 0.25236(12) 0.0532(10) Uani 1 1 d . . . . .
C23 C 0.4183(4) 0.7032(2) 0.24229(12) 0.0566(10) Uani 1 1 d . . . . .
H23 H 0.4041 0.6739 0.2688 0.068 Uiso 1 1 calc R U . . .
C24 C 0.3623(3) 0.67900(18) 0.19426(11) 0.0422(7) Uani 1 1 d . . . . .
H24 H 0.3103 0.6342 0.1885 0.051 Uiso 1 1 calc R U . . .
C25 C 0.5555(4) 0.7940(3) 0.30440(14) 0.0819(16) Uani 1 1 d . . . . .
H25A H 0.6352 0.7992 0.3042 0.123 Uiso 1 1 calc R U . . .
H25B H 0.5251 0.7609 0.3284 0.123 Uiso 1 1 calc R U . . .
H25C H 0.5461 0.8386 0.3141 0.123 Uiso 1 1 calc R U . . .
C26 C 0.1979(2) 0.61844(13) 0.08925(9) 0.0293(5) Uani 1 1 d . . . . .
C27 C 0.0889(3) 0.62281(15) 0.08101(11) 0.0362(6) Uani 1 1 d . . . . .
H27 H 0.0766 0.6666 0.0817 0.043 Uiso 1 1 calc R U . . .
C28 C -0.0014(3) 0.56337(17) 0.07175(11) 0.0436(7) Uani 1 1 d . . . . .
H28 H -0.0752 0.5669 0.0662 0.052 Uiso 1 1 calc R U . . .
C29 C 0.0146(3) 0.49874(16) 0.07053(11) 0.0490(9) Uani 1 1 d . . . . .
C30 C 0.1229(3) 0.49496(16) 0.08093(12) 0.0496(9) Uani 1 1 d . . . . .
H30 H 0.1348 0.4511 0.0817 0.060 Uiso 1 1 calc R U . . .
C31 C 0.2139(3) 0.55362(15) 0.09023(11) 0.0418(7) Uani 1 1 d . . . . .
H31 H 0.2873 0.5499 0.0973 0.050 Uiso 1 1 calc R U . . .
C32 C -0.0841(4) 0.43509(19) 0.05681(14) 0.0715(14) Uani 1 1 d . . . . .
H32A H -0.1446 0.4371 0.0763 0.107 Uiso 1 1 calc R U . . .
H32B H -0.0614 0.3942 0.0642 0.107 Uiso 1 1 calc R U . . .
H32C H -0.1105 0.4326 0.0210 0.107 Uiso 1 1 calc R U . . .
C33 C 0.4151(2) 0.66546(13) 0.06017(9) 0.0264(5) Uani 1 1 d . . . . .
C34 C 0.5227(2) 0.67200(14) 0.08334(10) 0.0288(5) Uani 1 1 d . . . . .
H34 H 0.5464 0.6939 0.1161 0.035 Uiso 1 1 calc R U . . .
C35 C 0.5954(2) 0.64645(15) 0.05846(10) 0.0319(6) Uani 1 1 d . . . . .
H35 H 0.6684 0.6514 0.0746 0.038 Uiso 1 1 calc R U . . .
C36 C 0.5631(3) 0.61379(15) 0.01030(10) 0.0341(6) Uani 1 1 d . . . . .
C37 C 0.4554(3) 0.60716(15) -0.01238(10) 0.0363(6) Uani 1 1 d . . . . .
H37 H 0.4317 0.5849 -0.0451 0.044 Uiso 1 1 calc R U . . .
C38 C 0.3823(2) 0.63228(14) 0.01181(10) 0.0316(6) Uani 1 1 d . . . . .
H38 H 0.3092 0.6270 -0.0045 0.038 Uiso 1 1 calc R U . . .
C39 C 0.6431(3) 0.58611(19) -0.01616(12) 0.0475(8) Uani 1 1 d . . . . .
H39A H 0.6805 0.6198 -0.0384 0.071 Uiso 1 1 calc R U . . .
H39B H 0.6013 0.5430 -0.0359 0.071 Uiso 1 1 calc R U . . .
H39C H 0.6993 0.5776 0.0087 0.071 Uiso 1 1 calc R U . . .
C40 C 0.2207(2) 0.90592(12) -0.02341(8) 0.0208(4) Uani 1 1 d . . . . .
C41 C 0.1295(2) 0.89230(13) -0.06050(9) 0.0232(5) Uani 1 1 d . . . . .
H41 H 0.0561 0.8709 -0.0526 0.028 Uiso 1 1 calc R U . . .
C42 C 0.1453(2) 0.90987(14) -0.10930(9) 0.0286(5) Uani 1 1 d . . . . .
H42 H 0.0824 0.8999 -0.1343 0.034 Uiso 1 1 calc R U . . .
C43 C 0.2513(2) 0.94160(14) -0.12178(9) 0.0289(5) Uani 1 1 d . . . . .
C44 C 0.3431(2) 0.95374(14) -0.08483(9) 0.0293(5) Uani 1 1 d . . . . .
H44 H 0.4164 0.9747 -0.0929 0.035 Uiso 1 1 calc R U . . .
C45 C 0.3283(2) 0.93537(14) -0.03626(9) 0.0259(5) Uani 1 1 d . . . . .
H45 H 0.3916 0.9429 -0.0118 0.031 Uiso 1 1 calc R U . . .
C46 C 0.2683(3) 0.96330(18) -0.17415(10) 0.0416(7) Uani 1 1 d . . . . .
H46A H 0.3036 0.9333 -0.1910 0.062 Uiso 1 1 calc R U . . .
H46B H 0.3165 1.0110 -0.1722 0.062 Uiso 1 1 calc R U . . .
H46C H 0.1956 0.9596 -0.1931 0.062 Uiso 1 1 calc R U . . .
C47 C 0.29285(19) 0.95901(12) 0.07858(9) 0.0211(5) Uani 1 1 d . . . . .
C48 C 0.3066(2) 1.02464(13) 0.06168(9) 0.0249(5) Uani 1 1 d . . . . .
H48 H 0.2709 1.0292 0.0297 0.030 Uiso 1 1 calc R U . . .
C49 C 0.3720(2) 1.08316(13) 0.09118(10) 0.0276(5) Uani 1 1 d . . . . .
H49 H 0.3807 1.1272 0.0790 0.033 Uiso 1 1 calc R U . . .
C50 C 0.4251(2) 1.07819(14) 0.13834(9) 0.0284(5) Uani 1 1 d . . . . .
C51 C 0.4104(2) 1.01306(14) 0.15527(9) 0.0280(5) Uani 1 1 d . . . . .
H51 H 0.4454 1.0087 0.1874 0.034 Uiso 1 1 calc R U . . .
C52 C 0.3456(2) 0.95420(13) 0.12598(9) 0.0235(5) Uani 1 1 d . . . . .
H52 H 0.3372 0.9103 0.1383 0.028 Uiso 1 1 calc R U . . .
C53 C 0.5006(3) 1.14184(16) 0.16897(11) 0.0403(7) Uani 1 1 d . . . . .
H53A H 0.5167 1.1307 0.2034 0.060 Uiso 1 1 calc R U . . .
H53B H 0.4633 1.1777 0.1690 0.060 Uiso 1 1 calc R U . . .
H53C H 0.5708 1.1584 0.1544 0.060 Uiso 1 1 calc R U . . .
C54 C 0.06133(19) 0.87678(13) 0.04775(8) 0.0207(4) Uani 1 1 d . . . . .
C55 C 0.0245(2) 0.93531(13) 0.04733(9) 0.0255(5) Uani 1 1 d . . . . .
H55 H 0.0761 0.9791 0.0443 0.031 Uiso 1 1 calc R U . . .
C56 C -0.0866(2) 0.92968(14) 0.05124(9) 0.0282(5) Uani 1 1 d . . . . .
H56 H -0.1104 0.9697 0.0505 0.034 Uiso 1 1 calc R U . . .
C57 C -0.1638(2) 0.86635(14) 0.05617(9) 0.0267(5) Uani 1 1 d . . . . .
C58 C -0.1275(2) 0.80829(14) 0.05679(9) 0.0270(5) Uani 1 1 d . . . . .
H58 H -0.1793 0.7647 0.0600 0.032 Uiso 1 1 calc R U . . .
C59 C -0.0160(2) 0.81330(13) 0.05272(9) 0.0235(5) Uani 1 1 d . . . . .
H59 H 0.0074 0.7731 0.0533 0.028 Uiso 1 1 calc R U . . .
C60 C -0.2844(2) 0.86141(18) 0.06119(12) 0.0404(7) Uani 1 1 d . . . . .
H60A H -0.3254 0.8140 0.0669 0.061 Uiso 1 1 calc R U . . .
H60B H -0.3189 0.8745 0.0304 0.061 Uiso 1 1 calc R U . . .
H60C H -0.2868 0.8924 0.0895 0.061 Uiso 1 1 calc R U . . .
C61 C -0.2927(2) 0.65764(13) 0.72979(8) 0.0224(5) Uani 1 1 d . . . . .
C62 C -0.2765(2) 0.59676(14) 0.74473(9) 0.0279(5) Uani 1 1 d . . . . .
C63 C -0.3138(3) 0.56606(16) 0.78698(11) 0.0371(7) Uani 1 1 d . . . . .
C64 C -0.3701(2) 0.59712(18) 0.81662(10) 0.0402(7) Uani 1 1 d . . . . .
C65 C -0.3898(2) 0.65675(17) 0.80346(10) 0.0352(6) Uani 1 1 d . . . . .
C66 C -0.3523(2) 0.68566(14) 0.76040(9) 0.0266(5) Uani 1 1 d . . . . .
C67 C -0.0950(2) 0.78850(13) 0.77799(8) 0.0216(5) Uani 1 1 d . . . . .
C68 C -0.0814(2) 0.73845(14) 0.80999(9) 0.0249(5) Uani 1 1 d . . . . .
H68 H -0.0529 0.7031 0.7985 0.030 Uiso 1 1 calc R U . . .
C69 C -0.1090(2) 0.74018(15) 0.85831(9) 0.0273(5) Uani 1 1 d . . . . .
H69 H -0.0976 0.7066 0.8798 0.033 Uiso 1 1 calc R U . . .
C70 C -0.1534(2) 0.79073(15) 0.87586(9) 0.0278(5) Uani 1 1 d . . . . .
C71 C -0.1651(2) 0.84110(14) 0.84404(9) 0.0278(5) Uani 1 1 d . . . . .
H71 H -0.1932 0.8766 0.8556 0.033 Uiso 1 1 calc R U . . .
C72 C -0.1362(2) 0.84022(13) 0.79570(9) 0.0233(5) Uani 1 1 d . . . . .
H72 H -0.1446 0.8750 0.7747 0.028 Uiso 1 1 calc R U . . .
C73 C -0.1890(2) 0.78956(18) 0.92756(10) 0.0385(7) Uani 1 1 d . . . . .
H73A H -0.2692 0.7652 0.9255 0.058 Uiso 1 1 calc R U . . .
H73B H -0.1742 0.8368 0.9419 0.058 Uiso 1 1 calc R U . . .
H73C H -0.1466 0.7659 0.9489 0.058 Uiso 1 1 calc R U . . .
C74 C 0.0458(2) 0.75310(13) 0.71033(9) 0.0218(5) Uani 1 1 d . . . . .
C75 C 0.1334(2) 0.77344(13) 0.74978(9) 0.0254(5) Uani 1 1 d . . . . .
H75 H 0.1266 0.8003 0.7783 0.031 Uiso 1 1 calc R U . . .
C76 C 0.2302(2) 0.75460(14) 0.74748(10) 0.0287(5) Uani 1 1 d . . . . .
H76 H 0.2890 0.7688 0.7745 0.034 Uiso 1 1 calc R U . . .
C77 C 0.2421(2) 0.71532(15) 0.70624(10) 0.0300(6) Uani 1 1 d . . . . .
C78 C 0.1557(2) 0.69653(15) 0.66661(10) 0.0301(6) Uani 1 1 d . . . . .
H78 H 0.1637 0.6709 0.6377 0.036 Uiso 1 1 calc R U . . .
C79 C 0.0583(2) 0.71459(13) 0.66856(9) 0.0256(5) Uani 1 1 d . . . . .
H79 H 0.0000 0.7007 0.6414 0.031 Uiso 1 1 calc R U . . .
C80 C 0.3444(3) 0.69158(18) 0.70534(13) 0.0427(7) Uani 1 1 d . . . . .
H80A H 0.3306 0.6465 0.7190 0.064 Uiso 1 1 calc R U . . .
H80B H 0.4084 0.7249 0.7256 0.064 Uiso 1 1 calc R U . . .
H80C H 0.3607 0.6879 0.6708 0.064 Uiso 1 1 calc R U . . .
C81 C -0.0460(2) 0.86496(13) 0.69045(9) 0.0240(5) Uani 1 1 d . . . . .
C82 C 0.0637(2) 0.90900(14) 0.69793(10) 0.0287(5) Uani 1 1 d . . . . .
H82 H 0.1215 0.8942 0.7150 0.034 Uiso 1 1 calc R U . . .
C83 C 0.0889(3) 0.97443(15) 0.68056(10) 0.0342(6) Uani 1 1 d . . . . .
H83 H 0.1640 1.0036 0.6858 0.041 Uiso 1 1 calc R U . . .
C84 C 0.0061(3) 0.99789(15) 0.65569(10) 0.0356(6) Uani 1 1 d . . . . .
C85 C -0.1032(3) 0.95436(15) 0.64927(10) 0.0357(6) Uani 1 1 d . . . . .
H85 H -0.1613 0.9699 0.6333 0.043 Uiso 1 1 calc R U . . .
C86 C -0.1294(2) 0.88833(15) 0.66581(9) 0.0303(6) Uani 1 1 d . . . . .
H86 H -0.2045 0.8591 0.6603 0.036 Uiso 1 1 calc R U . . .
C87 C 0.0358(3) 1.06869(16) 0.63583(12) 0.0472(8) Uani 1 1 d . . . . .
H87A H 0.0841 1.0701 0.6095 0.071 Uiso 1 1 calc R U . . .
H87B H 0.0752 1.1035 0.6631 0.071 Uiso 1 1 calc R U . . .
H87C H -0.0329 1.0781 0.6220 0.071 Uiso 1 1 calc R U . . .
C88 C -0.3314(2) 0.58586(13) 0.56466(9) 0.0262(5) Uani 1 1 d . . . . .
C89 C -0.2327(2) 0.56822(16) 0.57302(11) 0.0351(6) Uani 1 1 d . . . . .
H89 H -0.2002 0.5672 0.6063 0.042 Uiso 1 1 calc R U . . .
C90 C -0.1815(3) 0.55213(16) 0.53315(12) 0.0407(7) Uani 1 1 d . . . . .
H90 H -0.1155 0.5387 0.5394 0.049 Uiso 1 1 calc R U . . .
C91 C -0.2259(3) 0.55548(15) 0.48388(12) 0.0402(7) Uani 1 1 d . . . . .
C92 C -0.3252(3) 0.57061(15) 0.47578(11) 0.0387(7) Uani 1 1 d . . . . .
H92 H -0.3578 0.5712 0.4424 0.046 Uiso 1 1 calc R U . . .
C93 C -0.3793(2) 0.58506(14) 0.51547(10) 0.0305(6) Uani 1 1 d . . . . .
H93 H -0.4488 0.5944 0.5090 0.037 Uiso 1 1 calc R U . . .
C94 C -0.1626(3) 0.5459(2) 0.44082(14) 0.0594(10) Uani 1 1 d . . . . .
H94A H -0.2155 0.5294 0.4103 0.089 Uiso 1 1 calc R U . . .
H94B H -0.1228 0.5122 0.4485 0.089 Uiso 1 1 calc R U . . .
H94C H -0.1085 0.5900 0.4358 0.089 Uiso 1 1 calc R U . . .
C95 C -0.4899(2) 0.65663(14) 0.59270(9) 0.0252(5) Uani 1 1 d . . . . .
C96 C -0.4692(2) 0.72768(14) 0.59458(10) 0.0286(5) Uani 1 1 d . . . . .
H96 H -0.3987 0.7573 0.6097 0.034 Uiso 1 1 calc R U . . .
C97 C -0.5514(2) 0.75571(15) 0.57444(10) 0.0328(6) Uani 1 1 d . . . . .
H97 H -0.5361 0.8043 0.5758 0.039 Uiso 1 1 calc R U . . .
C98 C -0.6555(2) 0.71337(17) 0.55234(10) 0.0344(6) Uani 1 1 d . . . . .
C99 C -0.6758(2) 0.64283(16) 0.55128(10) 0.0333(6) Uani 1 1 d . . . . .
H99 H -0.7467 0.6133 0.5367 0.040 Uiso 1 1 calc R U . . .
C100 C -0.5948(2) 0.61408(15) 0.57109(10) 0.0305(6) Uani 1 1 d . . . . .
H100 H -0.6108 0.5655 0.5699 0.037 Uiso 1 1 calc R U . . .
C101 C -0.7438(3) 0.74297(19) 0.52847(12) 0.0492(9) Uani 1 1 d . . . . .
H10A H -0.8049 0.7359 0.5492 0.074 Uiso 1 1 calc R U . . .
H10B H -0.7732 0.7198 0.4951 0.074 Uiso 1 1 calc R U . . .
H10C H -0.7105 0.7923 0.5257 0.074 Uiso 1 1 calc R U . . .
C102 C -0.4612(2) 0.54435(13) 0.64685(9) 0.0255(5) Uani 1 1 d . . . . .
C103 C -0.5386(2) 0.55097(14) 0.67860(10) 0.0308(6) Uani 1 1 d . . . . .
H103 H -0.5480 0.5948 0.6855 0.037 Uiso 1 1 calc R U . . .
C104 C -0.6020(2) 0.49440(16) 0.70017(11) 0.0361(6) Uani 1 1 d . . . . .
H104 H -0.6540 0.5002 0.7217 0.043 Uiso 1 1 calc R U . . .
C105 C -0.5910(3) 0.42966(16) 0.69088(11) 0.0394(7) Uani 1 1 d . . . . .
C106 C -0.5118(3) 0.42340(16) 0.66030(11) 0.0411(7) Uani 1 1 d . . . . .
H106 H -0.5016 0.3796 0.6540 0.049 Uiso 1 1 calc R U . . .
C107 C -0.4470(3) 0.47990(14) 0.63878(10) 0.0320(6) Uani 1 1 d . . . . .
H107 H -0.3927 0.4744 0.6184 0.038 Uiso 1 1 calc R U . . .
C108 C -0.6635(4) 0.36738(18) 0.71272(15) 0.0593(10) Uani 1 1 d . . . . .
H10D H -0.6235 0.3591 0.7439 0.089 Uiso 1 1 calc R U . . .
H10E H -0.6804 0.3270 0.6888 0.089 Uiso 1 1 calc R U . . .
H10F H -0.7334 0.3757 0.7196 0.089 Uiso 1 1 calc R U . . .
O1M O 0.20570(16) 1.02369(10) 0.23802(7) 0.0331(4) Uani 1 1 d . . . . .
O2M O -0.25641(16) 0.67138(10) 0.17179(8) 0.0361(4) Uani 1 1 d . . . . .
O3M O -0.01286(18) 0.53277(11) 0.19741(8) 0.0399(5) Uani 1 1 d . . . . .
O4M O 0.2355(2) 0.61312(12) 0.39791(9) 0.0478(5) Uani 1 1 d . . . . .
N1M N 0.6270(2) 0.89380(13) 0.43073(9) 0.0336(5) Uani 1 1 d . . . . .
N2M N 0.6254(2) 1.00465(12) 0.37951(9) 0.0323(5) Uani 1 1 d . . . . .
C1M C 0.6213(2) 0.83953(16) 0.45713(10) 0.0341(6) Uani 1 1 d . . . . .
C2M C 0.7048(3) 0.84106(18) 0.49744(11) 0.0398(7) Uani 1 1 d . . . . .
H2M H 0.7002 0.8015 0.5154 0.048 Uiso 1 1 calc R U . . .
C3M C 0.7914(3) 0.89967(19) 0.51010(11) 0.0439(8) Uani 1 1 d . . . . .
H3M H 0.8474 0.9010 0.5370 0.053 Uiso 1 1 calc R U . . .
C4M C 0.7985(3) 0.95876(17) 0.48340(11) 0.0390(7) Uani 1 1 d . . . . .
C5M C 0.7125(2) 0.95219(16) 0.44330(10) 0.0345(6) Uani 1 1 d . . . . .
C6M C 0.8848(3) 1.02284(19) 0.49449(13) 0.0472(8) Uani 1 1 d . . . . .
H6M H 0.9408 1.0277 0.5221 0.057 Uiso 1 1 calc R U . . .
C7M C 0.8888(3) 1.07659(18) 0.46679(13) 0.0449(8) Uani 1 1 d . . . . .
H7M H 0.9490 1.1179 0.4744 0.054 Uiso 1 1 calc R U . . .
C8M C 0.8036(2) 1.07257(16) 0.42582(11) 0.0370(6) Uani 1 1 d . . . . .
C9M C 0.7139(2) 1.01100(15) 0.41461(10) 0.0324(6) Uani 1 1 d . . . . .
C10M C 0.8010(2) 1.12765(16) 0.39661(12) 0.0384(7) Uani 1 1 d . . . . .
H10M H 0.8613 1.1692 0.4014 0.046 Uiso 1 1 calc R U . . .
C11M C 0.7112(3) 1.12114(16) 0.36120(12) 0.0375(6) Uani 1 1 d . . . . .
H11M H 0.7089 1.1581 0.3413 0.045 Uiso 1 1 calc R U . . .
C12M C 0.6220(2) 1.05893(15) 0.35456(11) 0.0330(6) Uani 1 1 d . . . . .
C13M C 0.5163(2) 1.04975(15) 0.32092(10) 0.0313(6) Uani 1 1 d . . . . .
C14M C 0.4802(2) 1.10553(15) 0.30688(11) 0.0326(6) Uani 1 1 d . . . . .
H14M H 0.5273 1.1511 0.3164 0.039 Uiso 1 1 calc R U . . .
C15M C 0.3763(2) 1.09528(14) 0.27924(11) 0.0327(6) Uani 1 1 d . . . . .
H15M H 0.3528 1.1337 0.2699 0.039 Uiso 1 1 calc R U . . .
C16M C 0.3065(2) 1.02866(14) 0.26520(10) 0.0295(5) Uani 1 1 d . . . . .
C17M C 0.3413(2) 0.97225(15) 0.27847(11) 0.0334(6) Uani 1 1 d . . . . .
H17M H 0.2943 0.9267 0.2688 0.040 Uiso 1 1 calc R U . . .
C18M C 0.4456(2) 0.98362(15) 0.30598(11) 0.0349(6) Uani 1 1 d . . . . .
H18M H 0.4695 0.9452 0.3149 0.042 Uiso 1 1 calc R U . . .
C19M C 0.1271(2) 0.95619(14) 0.22632(11) 0.0326(6) Uani 1 1 d . . . . .
H19A H 0.1108 0.9331 0.2574 0.039 Uiso 1 1 calc R U . . .
H19B H 0.1581 0.9277 0.2048 0.039 Uiso 1 1 calc R U . . .
C20M C 0.0214(2) 0.96528(15) 0.19917(10) 0.0326(6) Uani 1 1 d . . . . .
H20A H 0.0405 0.9919 0.1698 0.039 Uiso 1 1 calc R U . . .
H20B H -0.0101 0.9921 0.2217 0.039 Uiso 1 1 calc R U . . .
C21M C -0.0672(3) 0.89668(15) 0.18161(10) 0.0342(6) Uani 1 1 d . . . . .
H21A H -0.0309 0.8669 0.1644 0.041 Uiso 1 1 calc R U . . .
H21B H -0.1240 0.9055 0.1567 0.041 Uiso 1 1 calc R U . . .
C22M C -0.1276(2) 0.85702(15) 0.22240(10) 0.0320(6) Uani 1 1 d . . . . .
H22A H -0.1646 0.8863 0.2397 0.038 Uiso 1 1 calc R U . . .
H22B H -0.0716 0.8474 0.2473 0.038 Uiso 1 1 calc R U . . .
C23M C -0.2162(2) 0.78844(15) 0.20220(11) 0.0344(6) Uani 1 1 d . . . . .
H23A H -0.2706 0.7747 0.2265 0.041 Uiso 1 1 calc R U . . .
H23B H -0.2575 0.7954 0.1705 0.041 Uiso 1 1 calc R U . . .
C24M C -0.1661(2) 0.73107(14) 0.19291(10) 0.0316(6) Uani 1 1 d . . . . .
H24A H -0.1096 0.7444 0.1694 0.038 Uiso 1 1 calc R U . . .
H24B H -0.1292 0.7209 0.2247 0.038 Uiso 1 1 calc R U . . .
C25M C -0.2357(2) 0.60869(15) 0.17092(10) 0.0334(6) Uani 1 1 d . . . . .
C26M C -0.3297(3) 0.55134(16) 0.15642(11) 0.0376(6) Uani 1 1 d . . . . .
H26M H -0.4014 0.5569 0.1476 0.045 Uiso 1 1 calc R U . . .
C27M C -0.3158(3) 0.48656(16) 0.15521(11) 0.0400(7) Uani 1 1 d . . . . .
H27M H -0.3791 0.4475 0.1454 0.048 Uiso 1 1 calc R U . . .
C28M C -0.2117(3) 0.47690(16) 0.16797(11) 0.0374(6) Uani 1 1 d . . . . .
H28M H -0.2039 0.4320 0.1668 0.045 Uiso 1 1 calc R U . . .
C29M C -0.1198(2) 0.53395(15) 0.18241(10) 0.0339(6) Uani 1 1 d . . . . .
C30M C -0.1313(2) 0.60089(15) 0.18356(10) 0.0332(6) Uani 1 1 d . . . . .
H30M H -0.0679 0.6400 0.1929 0.040 Uiso 1 1 calc R U . . .
C31M C 0.0073(3) 0.46798(16) 0.20464(12) 0.0411(7) Uani 1 1 d . . . . .
H31A H 0.0892 0.4759 0.2107 0.049 Uiso 1 1 calc R U . . .
H31B H -0.0214 0.4377 0.1734 0.049 Uiso 1 1 calc R U . . .
C32M C -0.0461(3) 0.43050(19) 0.24778(13) 0.0526(9) Uani 1 1 d . . . . .
H32D H -0.1223 0.4008 0.2346 0.063 Uiso 1 1 calc R U . . .
H32E H -0.0021 0.4000 0.2597 0.063 Uiso 1 1 calc R U . . .
C33M C -0.0549(4) 0.4751(2) 0.29170(15) 0.0660(11) Uani 1 1 d . . . . .
H33A H -0.0890 0.4454 0.3174 0.079 Uiso 1 1 calc R U . . .
H33B H -0.1055 0.5022 0.2809 0.079 Uiso 1 1 calc R U . . .
C34M C 0.0580(3) 0.5244(2) 0.31513(17) 0.0627(10) Uani 1 1 d . . . . .
H34A H 0.1102 0.4979 0.3250 0.075 Uiso 1 1 calc R U . . .
H34B H 0.0908 0.5563 0.2904 0.075 Uiso 1 1 calc R U . . .
C35M C 0.0426(4) 0.5650(2) 0.36064(17) 0.0659(11) Uani 1 1 d . . . . .
H35A H -0.0276 0.5773 0.3537 0.079 Uiso 1 1 calc R U . . .
H35B H 0.0349 0.5356 0.3891 0.079 Uiso 1 1 calc R U . . .
C36M C 0.1367(3) 0.6287(2) 0.37505(15) 0.0568(9) Uani 1 1 d . . . . .
H36A H 0.1548 0.6539 0.3450 0.068 Uiso 1 1 calc R U . . .
H36B H 0.1141 0.6588 0.3989 0.068 Uiso 1 1 calc R U . . .
C37M C 0.3276(3) 0.66955(17) 0.41153(11) 0.0398(7) Uani 1 1 d . . . . .
C38M C 0.4198(3) 0.65824(16) 0.43858(10) 0.0374(7) Uani 1 1 d . . . . .
H38M H 0.4171 0.6130 0.4468 0.045 Uiso 1 1 calc R U . . .
C39M C 0.5157(3) 0.71258(15) 0.45367(10) 0.0341(6) Uani 1 1 d . . . . .
H39M H 0.5783 0.7042 0.4721 0.041 Uiso 1 1 calc R U . . .
C40M C 0.5217(2) 0.77935(16) 0.44222(10) 0.0346(6) Uani 1 1 d . . . . .
C41M C 0.4284(3) 0.78913(19) 0.41488(15) 0.0525(9) Uani 1 1 d . . . . .
H41M H 0.4310 0.8342 0.4064 0.063 Uiso 1 1 calc R U . . .
C42M C 0.3321(3) 0.7358(2) 0.39955(15) 0.0562(10) Uani 1 1 d . . . . .
H42M H 0.2696 0.7442 0.3810 0.067 Uiso 1 1 calc R U . . .
C1S C 0.368(2) 0.9639(7) 0.4270(6) 0.055(6) Uani 0.152(5) 1 d D U P A 1
H1S H 0.4326 0.9539 0.4130 0.066 Uiso 0.152(5) 1 calc R U P A 1
Cl1S Cl 0.2591(5) 0.8984(4) 0.3870(4) 0.051(2) Uani 0.152(5) 1 d D U P A 1
Cl2S Cl 0.3809(9) 0.9238(5) 0.4823(3) 0.058(2) Uani 0.152(5) 1 d D U P A 1
Cl3S Cl 0.4421(10) 1.0526(5) 0.4486(4) 0.058(2) Uani 0.152(5) 1 d D U P A 1
C1T C 0.4127(9) 0.9651(5) 0.4427(4) 0.065(3) Uani 0.348(5) 1 d D U P A 2
H1T H 0.4659 0.9555 0.4205 0.078 Uiso 0.348(5) 1 calc R U P A 2
Cl2T Cl 0.4499(7) 0.9447(3) 0.5029(2) 0.098(2) Uani 0.348(5) 1 d D U P A 2
Cl1T Cl 0.2781(4) 0.9158(2) 0.4188(3) 0.0855(18) Uani 0.348(5) 1 d D U P A 2
Cl3T Cl 0.3939(7) 1.0443(3) 0.4298(3) 0.094(2) Uani 0.348(5) 1 d D U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
F F 0.0160 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0100 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0970 0.0890 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.3700 8.0080 '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
P2 Pt1 P1 173.23(2) .
C1 Pt1 P1 84.82(7) .
C1 Pt1 P2 90.99(7) .
C1 Pt1 C13 172.36(10) .
C13 Pt1 P1 93.17(6) .
C13 Pt1 P2 91.66(6) .
P3 Pt2 P4 177.35(2) .
C12 Pt2 P3 90.22(7) .
C12 Pt2 P4 87.92(7) .
C12 Pt2 C61 175.59(10) .
C61 Pt2 P3 92.00(7) .
C61 Pt2 P4 89.73(7) .
C19 P1 Pt1 108.85(9) .
C19 P1 C33 104.10(12) .
C26 P1 Pt1 110.20(9) .
C26 P1 C19 110.52(12) .
C26 P1 C33 102.00(13) .
C33 P1 Pt1 120.76(8) .
C40 P2 Pt1 116.12(8) .
C47 P2 Pt1 111.73(8) .
C47 P2 C40 103.18(11) .
C54 P2 Pt1 114.10(8) .
C54 P2 C40 104.40(10) .
C54 P2 C47 106.24(11) .
C67 P3 Pt2 113.43(8) .
C67 P3 C81 105.91(11) .
C74 P3 Pt2 111.87(9) .
C74 P3 C67 104.95(11) .
C74 P3 C81 105.12(12) .
C81 P3 Pt2 114.71(8) .
C88 P4 Pt2 109.10(9) .
C88 P4 C95 107.20(11) .
C88 P4 C102 105.76(12) .
C95 P4 Pt2 112.30(9) .
C95 P4 C102 103.48(12) .
C102 P4 Pt2 118.30(8) .
C2 C1 Pt1 173.3(2) .
C1 C2 C3 177.6(3) .
C4 C3 C2 179.6(3) .
C3 C4 C5 177.8(3) .
C6 C5 C4 178.8(3) .
C5 C6 C7 179.3(3) .
C8 C7 C6 179.6(3) .
C7 C8 C9 179.7(4) .
C10 C9 C8 179.0(4) .
C9 C10 C11 179.1(3) .
C12 C11 C10 175.2(3) .
C11 C12 Pt2 169.8(2) .
C14 C13 Pt1 124.89(17) .
C14 C13 C18 113.8(2) .
C18 C13 Pt1 120.98(17) .
F1 C14 C13 119.2(2) .
F1 C14 C15 116.6(2) .
C13 C14 C15 124.2(2) .
F2 C15 C14 121.0(2) .
F2 C15 C16 119.7(2) .
C16 C15 C14 119.3(2) .
F3 C16 C15 120.6(2) .
F3 C16 C17 120.2(2) .
C17 C16 C15 119.2(2) .
F4 C17 C16 119.2(2) .
F4 C17 C18 121.6(2) .
C16 C17 C18 119.2(2) .
F5 C18 C13 119.5(2) .
F5 C18 C17 116.4(2) .
C17 C18 C13 124.1(2) .
C20 C19 P1 117.5(2) .
C24 C19 P1 123.6(2) .
C24 C19 C20 118.9(3) .
C19 C20 H20 119.7 .
C21 C20 C19 120.6(3) .
C21 C20 H20 119.7 .
C20 C21 H21 119.4 .
C22 C21 C20 121.2(3) .
C22 C21 H21 119.4 .
C21 C22 C25 120.0(4) .
C23 C22 C21 117.9(3) .
C23 C22 C25 122.1(4) .
C22 C23 H23 118.9 .
C22 C23 C24 122.1(3) .
C24 C23 H23 118.9 .
C19 C24 C23 119.4(3) .
C19 C24 H24 120.3 .
C23 C24 H24 120.3 .
C22 C25 H25A 109.5 .
C22 C25 H25B 109.5 .
C22 C25 H25C 109.5 .
H25A C25 H25B 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C27 C26 P1 119.3(2) .
C27 C26 C31 119.1(3) .
C31 C26 P1 121.3(2) .
C26 C27 H27 119.9 .
C28 C27 C26 120.2(3) .
C28 C27 H27 119.9 .
C27 C28 H28 119.6 .
C27 C28 C29 120.9(3) .
C29 C28 H28 119.6 .
C28 C29 C32 119.9(4) .
C30 C29 C28 118.4(3) .
C30 C29 C32 121.7(4) .
C29 C30 H30 119.3 .
C31 C30 C29 121.4(3) .
C31 C30 H30 119.3 .
C26 C31 H31 120.0 .
C30 C31 C26 120.0(3) .
C30 C31 H31 120.0 .
C29 C32 H32A 109.5 .
C29 C32 H32B 109.5 .
C29 C32 H32C 109.5 .
H32A C32 H32B 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
C34 C33 P1 122.1(2) .
C34 C33 C38 118.4(2) .
C38 C33 P1 119.4(2) .
C33 C34 H34 119.9 .
C35 C34 C33 120.2(2) .
C35 C34 H34 119.9 .
C34 C35 H35 119.3 .
C34 C35 C36 121.4(3) .
C36 C35 H35 119.3 .
C35 C36 C39 120.7(3) .
C37 C36 C35 117.9(3) .
C37 C36 C39 121.3(3) .
C36 C37 H37 119.3 .
C38 C37 C36 121.3(3) .
C38 C37 H37 119.3 .
C33 C38 H38 119.7 .
C37 C38 C33 120.6(3) .
C37 C38 H38 119.7 .
C36 C39 H39A 109.5 .
C36 C39 H39B 109.5 .
C36 C39 H39C 109.5 .
H39A C39 H39B 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C41 C40 P2 122.22(18) .
C41 C40 C45 118.8(2) .
C45 C40 P2 118.91(18) .
C40 C41 H41 119.8 .
C40 C41 C42 120.4(2) .
C42 C41 H41 119.8 .
C41 C42 H42 119.5 .
C43 C42 C41 121.1(2) .
C43 C42 H42 119.5 .
C42 C43 C44 118.5(2) .
C42 C43 C46 121.2(2) .
C44 C43 C46 120.3(2) .
C43 C44 H44 119.6 .
C45 C44 C43 120.8(2) .
C45 C44 H44 119.6 .
C40 C45 H45 119.8 .
C44 C45 C40 120.4(2) .
C44 C45 H45 119.8 .
C43 C46 H46A 109.5 .
C43 C46 H46B 109.5 .
C43 C46 H46C 109.5 .
H46A C46 H46B 109.5 .
H46A C46 H46C 109.5 .
H46B C46 H46C 109.5 .
C48 C47 P2 120.97(18) .
C52 C47 P2 120.83(18) .
C52 C47 C48 118.2(2) .
C47 C48 H48 119.7 .
C49 C48 C47 120.7(2) .
C49 C48 H48 119.7 .
C48 C49 H49 119.5 .
C48 C49 C50 121.0(2) .
C50 C49 H49 119.5 .
C49 C50 C53 120.5(2) .
C51 C50 C49 118.2(2) .
C51 C50 C53 121.2(2) .
C50 C51 H51 119.4 .
C52 C51 C50 121.2(2) .
C52 C51 H51 119.4 .
C47 C52 H52 119.7 .
C51 C52 C47 120.7(2) .
C51 C52 H52 119.7 .
C50 C53 H53A 109.5 .
C50 C53 H53B 109.5 .
C50 C53 H53C 109.5 .
H53A C53 H53B 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C55 C54 P2 121.52(19) .
C59 C54 P2 120.01(18) .
C59 C54 C55 118.4(2) .
C54 C55 H55 119.8 .
C56 C55 C54 120.5(2) .
C56 C55 H55 119.8 .
C55 C56 H56 119.5 .
C55 C56 C57 121.1(2) .
C57 C56 H56 119.5 .
C56 C57 C60 120.3(3) .
C58 C57 C56 118.6(2) .
C58 C57 C60 121.1(3) .
C57 C58 H58 119.6 .
C57 C58 C59 120.8(2) .
C59 C58 H58 119.6 .
C54 C59 C58 120.5(2) .
C54 C59 H59 119.7 .
C58 C59 H59 119.7 .
C57 C60 H60A 109.5 .
C57 C60 H60B 109.5 .
C57 C60 H60C 109.5 .
H60A C60 H60B 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
C62 C61 Pt2 121.48(18) .
C66 C61 Pt2 124.20(19) .
C66 C61 C62 114.3(2) .
F6 C62 C61 119.2(2) .
F6 C62 C63 116.6(2) .
C63 C62 C61 124.1(2) .
F7 C63 C62 121.1(3) .
F7 C63 C64 119.9(3) .
C64 C63 C62 119.0(3) .
F8 C64 C63 119.5(3) .
F8 C64 C65 120.9(3) .
C65 C64 C63 119.6(3) .
F9 C65 C64 119.9(3) .
F9 C65 C66 120.3(3) .
C64 C65 C66 119.8(3) .
F10 C66 C61 119.8(2) .
F10 C66 C65 117.1(2) .
C61 C66 C65 123.2(3) .
C68 C67 P3 120.40(18) .
C72 C67 P3 120.01(18) .
C72 C67 C68 118.9(2) .
C67 C68 H68 119.7 .
C69 C68 C67 120.5(2) .
C69 C68 H68 119.7 .
C68 C69 H69 119.5 .
C68 C69 C70 120.9(2) .
C70 C69 H69 119.5 .
C69 C70 C73 120.2(2) .
C71 C70 C69 118.2(2) .
C71 C70 C73 121.5(3) .
C70 C71 H71 119.4 .
C72 C71 C70 121.2(2) .
C72 C71 H71 119.4 .
C67 C72 H72 119.9 .
C71 C72 C67 120.3(2) .
C71 C72 H72 119.9 .
C70 C73 H73A 109.5 .
C70 C73 H73B 109.5 .
C70 C73 H73C 109.5 .
H73A C73 H73B 109.5 .
H73A C73 H73C 109.5 .
H73B C73 H73C 109.5 .
C75 C74 P3 121.22(18) .
C79 C74 P3 119.93(18) .
C79 C74 C75 118.8(2) .
C74 C75 H75 119.8 .
C76 C75 C74 120.3(2) .
C76 C75 H75 119.8 .
C75 C76 H76 119.5 .
C75 C76 C77 120.9(2) .
C77 C76 H76 119.5 .
C76 C77 C78 118.5(2) .
C76 C77 C80 120.6(3) .
C78 C77 C80 120.9(3) .
C77 C78 H78 119.4 .
C79 C78 C77 121.2(2) .
C79 C78 H78 119.4 .
C74 C79 H79 119.9 .
C78 C79 C74 120.2(2) .
C78 C79 H79 119.9 .
C77 C80 H80A 109.5 .
C77 C80 H80B 109.5 .
C77 C80 H80C 109.5 .
H80A C80 H80B 109.5 .
H80A C80 H80C 109.5 .
H80B C80 H80C 109.5 .
C82 C81 P3 121.23(19) .
C86 C81 P3 120.2(2) .
C86 C81 C82 118.6(2) .
C81 C82 H82 119.8 .
C83 C82 C81 120.4(3) .
C83 C82 H82 119.8 .
C82 C83 H83 119.3 .
C82 C83 C84 121.4(3) .
C84 C83 H83 119.3 .
C83 C84 C87 120.5(3) .
C85 C84 C83 118.0(3) .
C85 C84 C87 121.5(3) .
C84 C85 H85 119.3 .
C84 C85 C86 121.3(3) .
C86 C85 H85 119.3 .
C81 C86 H86 119.8 .
C85 C86 C81 120.4(3) .
C85 C86 H86 119.8 .
C84 C87 H87A 109.5 .
C84 C87 H87B 109.5 .
C84 C87 H87C 109.5 .
H87A C87 H87B 109.5 .
H87A C87 H87C 109.5 .
H87B C87 H87C 109.5 .
C89 C88 P4 118.5(2) .
C89 C88 C93 118.6(2) .
C93 C88 P4 122.4(2) .
C88 C89 H89 119.7 .
C90 C89 C88 120.6(3) .
C90 C89 H89 119.7 .
C89 C90 H90 119.6 .
C89 C90 C91 120.7(3) .
C91 C90 H90 119.6 .
C90 C91 C94 120.4(3) .
C92 C91 C90 118.4(3) .
C92 C91 C94 121.1(3) .
C91 C92 H92 119.3 .
C91 C92 C93 121.4(3) .
C93 C92 H92 119.3 .
C88 C93 C92 120.1(3) .
C88 C93 H93 119.9 .
C92 C93 H93 119.9 .
C91 C94 H94A 109.5 .
C91 C94 H94B 109.5 .
C91 C94 H94C 109.5 .
H94A C94 H94B 109.5 .
H94A C94 H94C 109.5 .
H94B C94 H94C 109.5 .
C96 C95 P4 120.9(2) .
C96 C95 C100 118.8(2) .
C100 C95 P4 120.3(2) .
C95 C96 H96 119.8 .
C95 C96 C97 120.4(3) .
C97 C96 H96 119.8 .
C96 C97 H97 119.6 .
C98 C97 C96 120.8(3) .
C98 C97 H97 119.6 .
C97 C98 C101 121.5(3) .
C99 C98 C97 118.3(2) .
C99 C98 C101 120.2(3) .
C98 C99 H99 119.2 .
C98 C99 C100 121.6(3) .
C100 C99 H99 119.2 .
C95 C100 H100 120.0 .
C99 C100 C95 120.0(3) .
C99 C100 H100 120.0 .
C98 C101 H10A 109.5 .
C98 C101 H10B 109.5 .
C98 C101 H10C 109.5 .
H10A C101 H10B 109.5 .
H10A C101 H10C 109.5 .
H10B C101 H10C 109.5 .
C103 C102 P4 119.6(2) .
C107 C102 P4 122.4(2) .
C107 C102 C103 118.1(2) .
C102 C103 H103 119.5 .
C104 C103 C102 120.9(3) .
C104 C103 H103 119.5 .
C103 C104 H104 119.4 .
C105 C104 C103 121.2(3) .
C105 C104 H104 119.4 .
C104 C105 C106 117.8(3) .
C104 C105 C108 121.3(3) .
C106 C105 C108 120.9(3) .
C105 C106 H106 119.3 .
C107 C106 C105 121.4(3) .
C107 C106 H106 119.3 .
C102 C107 C106 120.5(3) .
C102 C107 H107 119.8 .
C106 C107 H107 119.8 .
C105 C108 H10D 109.5 .
C105 C108 H10E 109.5 .
C105 C108 H10F 109.5 .
H10D C108 H10E 109.5 .
H10D C108 H10F 109.5 .
H10E C108 H10F 109.5 .
C16M O1M C19M 117.7(2) .
C25M O2M C24M 117.5(2) .
C29M O3M C31M 119.4(2) .
C37M O4M C36M 114.8(3) .
C1M N1M C5M 119.3(2) .
C12M N2M C9M 118.6(3) .
N1M C1M C2M 121.4(3) .
N1M C1M C40M 115.3(2) .
C2M C1M C40M 123.2(3) .
C1M C2M H2M 120.3 .
C3M C2M C1M 119.5(3) .
C3M C2M H2M 120.3 .
C2M C3M H3M 119.8 .
C2M C3M C4M 120.4(3) .
C4M C3M H3M 119.8 .
C3M C4M C5M 116.3(3) .
C3M C4M C6M 124.4(3) .
C5M C4M C6M 119.3(3) .
N1M C5M C4M 123.1(3) .
N1M C5M C9M 117.6(2) .
C4M C5M C9M 119.3(3) .
C4M C6M H6M 119.2 .
C7M C6M C4M 121.6(3) .
C7M C6M H6M 119.2 .
C6M C7M H7M 119.4 .
C6M C7M C8M 121.2(3) .
C8M C7M H7M 119.4 .
C9M C8M C7M 119.3(3) .
C10M C8M C7M 123.8(3) .
C10M C8M C9M 116.8(3) .
N2M C9M C5M 117.5(3) .
N2M C9M C8M 123.1(3) .
C8M C9M C5M 119.3(3) .
C8M C10M H10M 120.1 .
C11M C10M C8M 119.8(3) .
C11M C10M H10M 120.1 .
C10M C11M H11M 120.3 .
C10M C11M C12M 119.4(3) .
C12M C11M H11M 120.3 .
N2M C12M C11M 122.0(3) .
N2M C12M C13M 114.9(3) .
C11M C12M C13M 123.1(3) .
C14M C13M C12M 122.1(3) .
C18M C13M C12M 119.6(2) .
C18M C13M C14M 118.1(3) .
C13M C14M H14M 119.5 .
C15M C14M C13M 120.9(3) .
C15M C14M H14M 119.5 .
C14M C15M H15M 120.0 .
C14M C15M C16M 119.9(2) .
C16M C15M H15M 120.0 .
O1M C16M C15M 115.7(2) .
O1M C16M C17M 124.1(3) .
C15M C16M C17M 120.1(3) .
C16M C17M H17M 120.5 .
C18M C17M C16M 119.0(3) .
C18M C17M H17M 120.5 .
C13M C18M H18M 119.1 .
C17M C18M C13M 121.9(3) .
C17M C18M H18M 119.1 .
O1M C19M H19A 110.3 .
O1M C19M H19B 110.3 .
O1M C19M C20M 107.2(2) .
H19A C19M H19B 108.5 .
C20M C19M H19A 110.3 .
C20M C19M H19B 110.3 .
C19M C20M H20A 109.1 .
C19M C20M H20B 109.1 .
C19M C20M C21M 112.6(2) .
H20A C20M H20B 107.8 .
C21M C20M H20A 109.1 .
C21M C20M H20B 109.1 .
C20M C21M H21A 108.3 .
C20M C21M H21B 108.3 .
C20M C21M C22M 116.0(2) .
H21A C21M H21B 107.4 .
C22M C21M H21A 108.3 .
C22M C21M H21B 108.3 .
C21M C22M H22A 108.9 .
C21M C22M H22B 108.9 .
C21M C22M C23M 113.4(2) .
H22A C22M H22B 107.7 .
C23M C22M H22A 108.9 .
C23M C22M H22B 108.9 .
C22M C23M H23A 109.0 .
C22M C23M H23B 109.0 .
H23A C23M H23B 107.8 .
C24M C23M C22M 113.0(2) .
C24M C23M H23A 109.0 .
C24M C23M H23B 109.0 .
O2M C24M C23M 107.4(2) .
O2M C24M H24A 110.2 .
O2M C24M H24B 110.2 .
C23M C24M H24A 110.2 .
C23M C24M H24B 110.2 .
H24A C24M H24B 108.5 .
O2M C25M C26M 115.3(3) .
O2M C25M C30M 123.9(3) .
C30M C25M C26M 120.9(3) .
C25M C26M H26M 120.7 .
C27M C26M C25M 118.6(3) .
C27M C26M H26M 120.7 .
C26M C27M H27M 119.0 .
C26M C27M C28M 121.9(3) .
C28M C27M H27M 119.0 .
C27M C28M H28M 120.6 .
C29M C28M C27M 118.8(3) .
C29M C28M H28M 120.6 .
O3M C29M C28M 125.7(3) .
O3M C29M C30M 113.8(3) .
C28M C29M C30M 120.5(3) .
C25M C30M C29M 119.3(3) .
C25M C30M H30M 120.4 .
C29M C30M H30M 120.4 .
O3M C31M H31A 108.6 .
O3M C31M H31B 108.6 .
O3M C31M C32M 114.7(3) .
H31A C31M H31B 107.6 .
C32M C31M H31A 108.6 .
C32M C31M H31B 108.6 .
C31M C32M H32D 108.3 .
C31M C32M H32E 108.3 .
H32D C32M H32E 107.4 .
C33M C32M C31M 116.1(3) .
C33M C32M H32D 108.3 .
C33M C32M H32E 108.3 .
C32M C33M H33A 108.9 .
C32M C33M H33B 108.9 .
C32M C33M C34M 113.3(4) .
H33A C33M H33B 107.7 .
C34M C33M H33A 108.9 .
C34M C33M H33B 108.9 .
C33M C34M H34A 109.7 .
C33M C34M H34B 109.7 .
H34A C34M H34B 108.2 .
C35M C34M C33M 110.0(3) .
C35M C34M H34A 109.7 .
C35M C34M H34B 109.7 .
C34M C35M H35A 109.0 .
C34M C35M H35B 109.0 .
H35A C35M H35B 107.8 .
C36M C35M C34M 113.0(4) .
C36M C35M H35A 109.0 .
C36M C35M H35B 109.0 .
O4M C36M C35M 111.1(3) .
O4M C36M H36A 109.4 .
O4M C36M H36B 109.4 .
C35M C36M H36A 109.4 .
C35M C36M H36B 109.4 .
H36A C36M H36B 108.0 .
O4M C37M C38M 117.0(3) .
O4M C37M C42M 123.4(3) .
C38M C37M C42M 119.6(3) .
C37M C38M H38M 119.8 .
C39M C38M C37M 120.3(3) .
C39M C38M H38M 119.8 .
C38M C39M H39M 119.5 .
C38M C39M C40M 121.0(3) .
C40M C39M H39M 119.5 .
C39M C40M C1M 123.8(3) .
C41M C40M C1M 118.8(3) .
C41M C40M C39M 117.5(3) .
C40M C41M H41M 118.8 .
C42M C41M C40M 122.4(3) .
C42M C41M H41M 118.8 .
C37M C42M H42M 120.4 .
C41M C42M C37M 119.2(3) .
C41M C42M H42M 120.4 .
Cl1S C1S H1S 96.0 .
Cl2S C1S H1S 96.0 .
Cl2S C1S Cl1S 103.0(7) .
Cl2S C1S Cl3S 100.5(8) .
Cl3S C1S H1S 96.0 .
Cl3S C1S Cl1S 152.2(14) .
Cl2T C1T H1T 108.4 .
Cl2T C1T Cl3T 123.3(8) .
Cl1T C1T H1T 108.4 .
Cl1T C1T Cl2T 111.4(6) .
Cl1T C1T Cl3T 95.9(7) .
Cl3T C1T H1T 108.4 .
C1T Cl2T Cl2T 73.2(5) 2_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.3324(7) .
Pt1 P2 2.2968(7) .
Pt1 C1 1.996(2) .
Pt1 C13 2.062(2) .
Pt2 P3 2.3112(7) .
Pt2 P4 2.3126(7) .
Pt2 C12 1.995(2) .
Pt2 C61 2.066(2) .
P1 C19 1.819(3) .
P1 C26 1.815(3) .
P1 C33 1.826(3) .
P2 C40 1.828(2) .
P2 C47 1.825(2) .
P2 C54 1.817(2) .
P3 C67 1.821(2) .
P3 C74 1.821(2) .
P3 C81 1.824(3) .
P4 C88 1.819(3) .
P4 C95 1.820(3) .
P4 C102 1.823(3) .
F1 C14 1.353(3) .
F2 C15 1.347(3) .
F3 C16 1.347(3) .
F4 C17 1.349(3) .
F5 C18 1.362(3) .
F6 C62 1.361(3) .
F7 C63 1.352(3) .
F8 C64 1.353(3) .
F9 C65 1.350(3) .
F10 C66 1.357(3) .
C1 C2 1.221(3) .
C2 C3 1.363(3) .
C3 C4 1.223(3) .
C4 C5 1.356(4) .
C5 C6 1.221(4) .
C6 C7 1.356(4) .
C7 C8 1.217(4) .
C8 C9 1.357(4) .
C9 C10 1.221(4) .
C10 C11 1.362(3) .
C11 C12 1.219(3) .
C13 C14 1.384(3) .
C13 C18 1.391(3) .
C14 C15 1.386(3) .
C15 C16 1.380(3) .
C16 C17 1.379(3) .
C17 C18 1.385(3) .
C19 C20 1.393(4) .
C19 C24 1.386(4) .
C20 H20 0.9500 .
C20 C21 1.387(4) .
C21 H21 0.9500 .
C21 C22 1.384(5) .
C22 C23 1.377(6) .
C22 C25 1.523(4) .
C23 H23 0.9500 .
C23 C24 1.401(4) .
C24 H24 0.9500 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.396(4) .
C26 C31 1.397(4) .
C27 H27 0.9500 .
C27 C28 1.388(4) .
C28 H28 0.9500 .
C28 C29 1.392(5) .
C29 C30 1.389(5) .
C29 C32 1.509(5) .
C30 H30 0.9500 .
C30 C31 1.383(5) .
C31 H31 0.9500 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.397(4) .
C33 C38 1.404(4) .
C34 H34 0.9500 .
C34 C35 1.395(4) .
C35 H35 0.9500 .
C35 C36 1.396(4) .
C36 C37 1.393(4) .
C36 C39 1.517(4) .
C37 H37 0.9500 .
C37 C38 1.385(4) .
C38 H38 0.9500 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C41 1.392(3) .
C40 C45 1.399(3) .
C41 H41 0.9500 .
C41 C42 1.399(3) .
C42 H42 0.9500 .
C42 C43 1.386(4) .
C43 C44 1.398(4) .
C43 C46 1.517(4) .
C44 H44 0.9500 .
C44 C45 1.395(3) .
C45 H45 0.9500 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.402(3) .
C47 C52 1.398(3) .
C48 H48 0.9500 .
C48 C49 1.391(4) .
C49 H49 0.9500 .
C49 C50 1.394(4) .
C50 C51 1.391(4) .
C50 C53 1.511(4) .
C51 H51 0.9500 .
C51 C52 1.390(4) .
C52 H52 0.9500 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 C55 1.404(3) .
C54 C59 1.394(3) .
C55 H55 0.9500 .
C55 C56 1.386(3) .
C56 H56 0.9500 .
C56 C57 1.391(4) .
C57 C58 1.390(4) .
C57 C60 1.514(4) .
C58 H58 0.9500 .
C58 C59 1.395(3) .
C59 H59 0.9500 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.387(3) .
C61 C66 1.386(3) .
C62 C63 1.384(4) .
C63 C64 1.375(4) .
C64 C65 1.366(5) .
C65 C66 1.391(4) .
C67 C68 1.403(3) .
C67 C72 1.395(3) .
C68 H68 0.9500 .
C68 C69 1.387(3) .
C69 H69 0.9500 .
C69 C70 1.399(4) .
C70 C71 1.398(4) .
C70 C73 1.509(3) .
C71 H71 0.9500 .
C71 C72 1.392(3) .
C72 H72 0.9500 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 C75 1.401(3) .
C74 C79 1.395(3) .
C75 H75 0.9500 .
C75 C76 1.389(3) .
C76 H76 0.9500 .
C76 C77 1.390(4) .
C77 C78 1.394(4) .
C77 C80 1.507(4) .
C78 H78 0.9500 .
C78 C79 1.387(3) .
C79 H79 0.9500 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 C82 1.397(4) .
C81 C86 1.395(3) .
C82 H82 0.9500 .
C82 C83 1.393(4) .
C83 H83 0.9500 .
C83 C84 1.393(4) .
C84 C85 1.389(5) .
C84 C87 1.519(4) .
C85 H85 0.9500 .
C85 C86 1.395(4) .
C86 H86 0.9500 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 C89 1.393(4) .
C88 C93 1.395(4) .
C89 H89 0.9500 .
C89 C90 1.388(4) .
C90 H90 0.9500 .
C90 C91 1.398(5) .
C91 C92 1.373(5) .
C91 C94 1.515(4) .
C92 H92 0.9500 .
C92 C93 1.395(4) .
C93 H93 0.9500 .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
C95 C96 1.393(4) .
C95 C100 1.397(4) .
C96 H96 0.9500 .
C96 C97 1.397(4) .
C97 H97 0.9500 .
C97 C98 1.393(4) .
C98 C99 1.384(4) .
C98 C101 1.515(4) .
C99 H99 0.9500 .
C99 C100 1.391(4) .
C100 H100 0.9500 .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
C102 C103 1.397(4) .
C102 C107 1.390(4) .
C103 H103 0.9500 .
C103 C104 1.387(4) .
C104 H104 0.9500 .
C104 C105 1.384(4) .
C105 C106 1.392(4) .
C105 C108 1.514(4) .
C106 H106 0.9500 .
C106 C107 1.392(4) .
C107 H107 0.9500 .
C108 H10D 0.9800 .
C108 H10E 0.9800 .
C108 H10F 0.9800 .
O1M C16M 1.371(3) .
O1M C19M 1.438(3) .
O2M C24M 1.444(3) .
O2M C25M 1.379(3) .
O3M C29M 1.372(3) .
O3M C31M 1.436(3) .
O4M C36M 1.455(4) .
O4M C37M 1.375(4) .
N1M C1M 1.331(4) .
N1M C5M 1.350(4) .
N2M C9M 1.354(3) .
N2M C12M 1.330(4) .
C1M C2M 1.423(4) .
C1M C40M 1.477(4) .
C2M H2M 0.9500 .
C2M C3M 1.361(5) .
C3M H3M 0.9500 .
C3M C4M 1.417(5) .
C4M C5M 1.418(4) .
C4M C6M 1.428(5) .
C5M C9M 1.453(4) .
C6M H6M 0.9500 .
C6M C7M 1.346(5) .
C7M H7M 0.9500 .
C7M C8M 1.437(4) .
C8M C9M 1.415(4) .
C8M C10M 1.407(4) .
C10M H10M 0.9500 .
C10M C11M 1.370(4) .
C11M H11M 0.9500 .
C11M C12M 1.415(4) .
C12M C13M 1.486(4) .
C13M C14M 1.398(4) .
C13M C18M 1.394(4) .
C14M H14M 0.9500 .
C14M C15M 1.389(4) .
C15M H15M 0.9500 .
C15M C16M 1.394(4) .
C16M C17M 1.395(4) .
C17M H17M 0.9500 .
C17M C18M 1.389(4) .
C18M H18M 0.9500 .
C19M H19A 0.9900 .
C19M H19B 0.9900 .
C19M C20M 1.513(4) .
C20M H20A 0.9900 .
C20M H20B 0.9900 .
C20M C21M 1.529(4) .
C21M H21A 0.9900 .
C21M H21B 0.9900 .
C21M C22M 1.530(4) .
C22M H22A 0.9900 .
C22M H22B 0.9900 .
C22M C23M 1.543(4) .
C23M H23A 0.9900 .
C23M H23B 0.9900 .
C23M C24M 1.508(4) .
C24M H24A 0.9900 .
C24M H24B 0.9900 .
C25M C26M 1.402(4) .
C25M C30M 1.379(4) .
C26M H26M 0.9500 .
C26M C27M 1.384(4) .
C27M H27M 0.9500 .
C27M C28M 1.393(4) .
C28M H28M 0.9500 .
C28M C29M 1.384(4) .
C29M C30M 1.415(4) .
C30M H30M 0.9500 .
C31M H31A 0.9900 .
C31M H31B 0.9900 .
C31M C32M 1.528(5) .
C32M H32D 0.9900 .
C32M H32E 0.9900 .
C32M C33M 1.496(5) .
C33M H33A 0.9900 .
C33M H33B 0.9900 .
C33M C34M 1.531(6) .
C34M H34A 0.9900 .
C34M H34B 0.9900 .
C34M C35M 1.513(6) .
C35M H35A 0.9900 .
C35M H35B 0.9900 .
C35M C36M 1.481(6) .
C36M H36A 0.9900 .
C36M H36B 0.9900 .
C37M C38M 1.388(4) .
C37M C42M 1.390(5) .
C38M H38M 0.9500 .
C38M C39M 1.386(4) .
C39M H39M 0.9500 .
C39M C40M 1.392(4) .
C40M C41M 1.390(4) .
C41M H41M 0.9500 .
C41M C42M 1.379(5) .
C42M H42M 0.9500 .
C1S H1S 1.0000 .
C1S Cl1S 1.819(12) .
C1S Cl2S 1.748(13) .
C1S Cl3S 1.810(12) .
C1T H1T 1.0000 .
C1T Cl2T 1.743(10) .
C1T Cl1T 1.734(10) .
C1T Cl3T 1.745(10) .
Cl2T Cl2T 2.260(13) 2_676
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_4
Pt1 P1 C19 C20 -45.2(2) .
Pt1 P1 C19 C24 133.1(2) .
Pt1 P1 C26 C27 -12.8(2) .
Pt1 P1 C26 C31 160.2(2) .
Pt1 P1 C33 C34 115.0(2) .
Pt1 P1 C33 C38 -67.0(2) .
Pt1 P2 C40 C41 102.7(2) .
Pt1 P2 C40 C45 -73.6(2) .
Pt1 P2 C47 C48 156.96(17) .
Pt1 P2 C47 C52 -24.8(2) .
Pt1 P2 C54 C55 165.80(17) .
Pt1 P2 C54 C59 -15.7(2) .
Pt1 C13 C14 F1 -8.9(3) .
Pt1 C13 C14 C15 168.44(19) .
Pt1 C13 C18 F5 7.2(3) .
Pt1 C13 C18 C17 -171.40(19) .
Pt2 P3 C67 C68 76.5(2) .
Pt2 P3 C67 C72 -93.7(2) .
Pt2 P3 C74 C75 -152.08(18) .
Pt2 P3 C74 C79 30.1(2) .
Pt2 P3 C81 C82 -152.01(18) .
Pt2 P3 C81 C86 27.6(2) .
Pt2 P4 C88 C89 44.4(2) .
Pt2 P4 C88 C93 -127.5(2) .
Pt2 P4 C95 C96 12.8(2) .
Pt2 P4 C95 C100 -167.40(18) .
Pt2 P4 C102 C103 76.9(2) .
Pt2 P4 C102 C107 -103.0(2) .
Pt2 C61 C62 F6 0.5(3) .
Pt2 C61 C62 C63 -179.9(2) .
Pt2 C61 C66 F10 0.3(3) .
Pt2 C61 C66 C65 -179.4(2) .
P1 C19 C20 C21 179.1(2) .
P1 C19 C24 C23 -179.3(3) .
P1 C26 C27 C28 170.4(2) .
P1 C26 C31 C30 -170.2(2) .
P1 C33 C34 C35 178.6(2) .
P1 C33 C38 C37 -178.6(2) .
P2 C40 C41 C42 -178.38(19) .
P2 C40 C45 C44 179.5(2) .
P2 C47 C48 C49 178.97(19) .
P2 C47 C52 C51 -178.66(19) .
P2 C54 C55 C56 177.86(19) .
P2 C54 C59 C58 -178.09(18) .
P3 C67 C68 C69 -169.9(2) .
P3 C67 C72 C71 169.2(2) .
P3 C74 C75 C76 -178.8(2) .
P3 C74 C79 C78 178.4(2) .
P3 C81 C82 C83 178.9(2) .
P3 C81 C86 C85 -179.9(2) .
P4 C88 C89 C90 -170.4(2) .
P4 C88 C93 C92 168.4(2) .
P4 C95 C96 C97 178.8(2) .
P4 C95 C100 C99 -178.9(2) .
P4 C102 C103 C104 178.1(2) .
P4 C102 C107 C106 -177.6(2) .
F1 C14 C15 F2 3.5(3) .
F1 C14 C15 C16 -178.8(2) .
F2 C15 C16 F3 -1.2(4) .
F2 C15 C16 C17 178.3(2) .
F3 C16 C17 F4 -1.8(4) .
F3 C16 C17 C18 176.3(2) .
F4 C17 C18 F5 1.0(3) .
F4 C17 C18 C13 179.6(2) .
F6 C62 C63 F7 -0.6(4) .
F6 C62 C63 C64 179.4(3) .
F7 C63 C64 F8 1.2(4) .
F7 C63 C64 C65 -178.9(3) .
F8 C64 C65 F9 -0.5(4) .
F8 C64 C65 C66 179.7(3) .
F9 C65 C66 F10 -0.9(4) .
F9 C65 C66 C61 178.8(2) .
C13 C14 C15 F2 -173.9(2) .
C13 C14 C15 C16 3.8(4) .
C14 C13 C18 F5 -179.0(2) .
C14 C13 C18 C17 2.4(3) .
C14 C15 C16 F3 -178.8(2) .
C14 C15 C16 C17 0.6(4) .
C15 C16 C17 F4 178.8(2) .
C15 C16 C17 C18 -3.1(4) .
C16 C17 C18 F5 -177.1(2) .
C16 C17 C18 C13 1.5(4) .
C18 C13 C14 F1 177.6(2) .
C18 C13 C14 C15 -5.1(4) .
C19 P1 C26 C27 107.6(2) .
C19 P1 C26 C31 -79.4(2) .
C19 P1 C33 C34 -7.5(3) .
C19 P1 C33 C38 170.5(2) .
C19 C20 C21 C22 -0.2(5) .
C20 C19 C24 C23 -1.0(4) .
C20 C21 C22 C23 0.1(5) .
C20 C21 C22 C25 178.7(3) .
C21 C22 C23 C24 -0.4(5) .
C22 C23 C24 C19 0.9(5) .
C24 C19 C20 C21 0.7(4) .
C25 C22 C23 C24 -178.9(4) .
C26 P1 C19 C20 -166.4(2) .
C26 P1 C19 C24 11.9(3) .
C26 P1 C33 C34 -122.5(2) .
C26 P1 C33 C38 55.5(2) .
C26 C27 C28 C29 0.0(4) .
C27 C26 C31 C30 2.8(4) .
C27 C28 C29 C30 2.7(4) .
C27 C28 C29 C32 -175.7(3) .
C28 C29 C30 C31 -2.7(5) .
C29 C30 C31 C26 0.0(5) .
C31 C26 C27 C28 -2.8(4) .
C32 C29 C30 C31 175.7(3) .
C33 P1 C19 C20 84.8(2) .
C33 P1 C19 C24 -96.9(3) .
C33 P1 C26 C27 -142.2(2) .
C33 P1 C26 C31 30.8(2) .
C33 C34 C35 C36 -0.2(4) .
C34 C33 C38 C37 -0.5(4) .
C34 C35 C36 C37 -0.2(4) .
C34 C35 C36 C39 -179.8(3) .
C35 C36 C37 C38 0.2(4) .
C36 C37 C38 C33 0.1(4) .
C38 C33 C34 C35 0.5(4) .
C39 C36 C37 C38 179.8(3) .
C40 P2 C47 C48 31.5(2) .
C40 P2 C47 C52 -150.22(19) .
C40 P2 C54 C55 -66.4(2) .
C40 P2 C54 C59 112.11(19) .
C40 C41 C42 C43 -0.6(4) .
C41 C40 C45 C44 3.1(4) .
C41 C42 C43 C44 2.1(4) .
C41 C42 C43 C46 -177.5(3) .
C42 C43 C44 C45 -1.0(4) .
C43 C44 C45 C40 -1.6(4) .
C45 C40 C41 C42 -2.0(4) .
C46 C43 C44 C45 178.6(3) .
C47 P2 C40 C41 -134.7(2) .
C47 P2 C40 C45 48.9(2) .
C47 P2 C54 C55 42.2(2) .
C47 P2 C54 C59 -139.24(19) .
C47 C48 C49 C50 -0.3(4) .
C48 C47 C52 C51 -0.3(4) .
C48 C49 C50 C51 -0.3(4) .
C48 C49 C50 C53 176.9(3) .
C49 C50 C51 C52 0.6(4) .
C50 C51 C52 C47 -0.3(4) .
C52 C47 C48 C49 0.6(4) .
C53 C50 C51 C52 -176.6(3) .
C54 P2 C40 C41 -23.8(2) .
C54 P2 C40 C45 159.8(2) .
C54 P2 C47 C48 -78.0(2) .
C54 P2 C47 C52 100.3(2) .
C54 C55 C56 C57 0.7(4) .
C55 C54 C59 C58 0.5(3) .
C55 C56 C57 C58 -0.4(4) .
C55 C56 C57 C60 179.1(2) .
C56 C57 C58 C59 0.2(4) .
C57 C58 C59 C54 -0.3(4) .
C59 C54 C55 C56 -0.7(4) .
C60 C57 C58 C59 -179.3(2) .
C61 C62 C63 F7 179.7(3) .
C61 C62 C63 C64 -0.2(5) .
C62 C61 C66 F10 -178.2(2) .
C62 C61 C66 C65 2.1(4) .
C62 C63 C64 F8 -178.9(3) .
C62 C63 C64 C65 1.0(5) .
C63 C64 C65 F9 179.6(3) .
C63 C64 C65 C66 -0.3(4) .
C64 C65 C66 F10 178.9(2) .
C64 C65 C66 C61 -1.4(4) .
C66 C61 C62 F6 179.0(2) .
C66 C61 C62 C63 -1.3(4) .
C67 P3 C74 C75 -28.7(2) .
C67 P3 C74 C79 153.5(2) .
C67 P3 C81 C82 82.1(2) .
C67 P3 C81 C86 -98.3(2) .
C67 C68 C69 C70 1.5(4) .
C68 C67 C72 C71 -1.2(4) .
C68 C69 C70 C71 -2.5(4) .
C68 C69 C70 C73 176.6(3) .
C69 C70 C71 C72 1.7(4) .
C70 C71 C72 C67 0.1(4) .
C72 C67 C68 C69 0.4(4) .
C73 C70 C71 C72 -177.4(2) .
C74 P3 C67 C68 -45.9(2) .
C74 P3 C67 C72 143.9(2) .
C74 P3 C81 C82 -28.7(2) .
C74 P3 C81 C86 151.0(2) .
C74 C75 C76 C77 -0.1(4) .
C75 C74 C79 C78 0.5(4) .
C75 C76 C77 C78 1.5(4) .
C75 C76 C77 C80 -176.4(3) .
C76 C77 C78 C79 -1.9(4) .
C77 C78 C79 C74 0.9(4) .
C79 C74 C75 C76 -0.9(4) .
C80 C77 C78 C79 175.9(3) .
C81 P3 C67 C68 -156.9(2) .
C81 P3 C67 C72 33.0(2) .
C81 P3 C74 C75 82.8(2) .
C81 P3 C74 C79 -95.0(2) .
C81 C82 C83 C84 0.4(4) .
C82 C81 C86 C85 -0.2(4) .
C82 C83 C84 C85 0.9(4) .
C82 C83 C84 C87 -178.4(3) .
C83 C84 C85 C86 -1.8(4) .
C84 C85 C86 C81 1.5(4) .
C86 C81 C82 C83 -0.7(4) .
C87 C84 C85 C86 177.4(3) .
C88 P4 C95 C96 -107.0(2) .
C88 P4 C95 C100 72.8(2) .
C88 P4 C102 C103 -160.6(2) .
C88 P4 C102 C107 19.5(3) .
C88 C89 C90 C91 2.1(5) .
C89 C88 C93 C92 -3.6(4) .
C89 C90 C91 C92 -4.2(5) .
C89 C90 C91 C94 172.9(3) .
C90 C91 C92 C93 2.5(5) .
C91 C92 C93 C88 1.4(4) .
C93 C88 C89 C90 1.8(4) .
C94 C91 C92 C93 -174.7(3) .
C95 P4 C88 C89 166.2(2) .
C95 P4 C88 C93 -5.7(3) .
C95 P4 C102 C103 -48.0(2) .
C95 P4 C102 C107 132.1(2) .
C95 C96 C97 C98 0.3(4) .
C96 C95 C100 C99 0.9(4) .
C96 C97 C98 C99 0.6(4) .
C96 C97 C98 C101 -177.5(3) .
C97 C98 C99 C100 -0.7(4) .
C98 C99 C100 C95 0.0(4) .
C100 C95 C96 C97 -1.0(4) .
C101 C98 C99 C100 177.4(3) .
C102 P4 C88 C89 -83.8(2) .
C102 P4 C88 C93 104.2(2) .
C102 P4 C95 C96 141.5(2) .
C102 P4 C95 C100 -38.7(2) .
C102 C103 C104 C105 -0.2(5) .
C103 C102 C107 C106 2.5(4) .
C103 C104 C105 C106 1.8(5) .
C103 C104 C105 C108 -177.5(3) .
C104 C105 C106 C107 -1.3(5) .
C105 C106 C107 C102 -0.9(5) .
C107 C102 C103 C104 -2.0(4) .
C108 C105 C106 C107 178.0(3) .
O1M C16M C17M C18M 179.8(3) .
O1M C19M C20M C21M 176.5(2) .
O2M C25M C26M C27M -179.2(3) .
O2M C25M C30M C29M 178.6(3) .
O3M C29M C30M C25M -177.8(2) .
O3M C31M C32M C33M -32.5(5) .
O4M C37M C38M C39M -180.0(3) .
O4M C37M C42M C41M -180.0(3) .
N1M C1M C2M C3M 1.4(5) .
N1M C1M C40M C39M 159.7(3) .
N1M C1M C40M C41M -19.9(4) .
N1M C5M C9M N2M 4.4(4) .
N1M C5M C9M C8M -178.4(3) .
N2M C12M C13M C14M 155.5(3) .
N2M C12M C13M C18M -19.0(4) .
C1M N1M C5M C4M 0.6(4) .
C1M N1M C5M C9M -178.0(3) .
C1M C2M C3M C4M 0.0(5) .
C1M C40M C41M C42M -179.9(3) .
C2M C1M C40M C39M -21.7(4) .
C2M C1M C40M C41M 158.8(3) .
C2M C3M C4M C5M -1.0(5) .
C2M C3M C4M C6M 178.8(3) .
C3M C4M C5M N1M 0.7(4) .
C3M C4M C5M C9M 179.4(3) .
C3M C4M C6M C7M 178.0(3) .
C4M C5M C9M N2M -174.3(3) .
C4M C5M C9M C8M 2.9(4) .
C4M C6M C7M C8M 2.4(5) .
C5M N1M C1M C2M -1.7(4) .
C5M N1M C1M C40M 177.0(2) .
C5M C4M C6M C7M -2.2(5) .
C6M C4M C5M N1M -179.1(3) .
C6M C4M C5M C9M -0.4(4) .
C6M C7M C8M C9M 0.2(5) .
C6M C7M C8M C10M 177.7(3) .
C7M C8M C9M N2M 174.3(3) .
C7M C8M C9M C5M -2.8(4) .
C7M C8M C10M C11M -174.1(3) .
C8M C10M C11M C12M 0.1(4) .
C9M N2M C12M C11M 4.4(4) .
C9M N2M C12M C13M -173.5(2) .
C9M C8M C10M C11M 3.4(4) .
C10M C8M C9M N2M -3.4(4) .
C10M C8M C9M C5M 179.5(3) .
C10M C11M C12M N2M -4.3(4) .
C10M C11M C12M C13M 173.5(3) .
C11M C12M C13M C14M -22.4(4) .
C11M C12M C13M C18M 163.1(3) .
C12M N2M C9M C5M 176.6(3) .
C12M N2M C9M C8M -0.5(4) .
C12M C13M C14M C15M -174.0(3) .
C12M C13M C18M C17M 173.9(3) .
C13M C14M C15M C16M 0.1(4) .
C14M C13M C18M C17M -0.8(4) .
C14M C15M C16M O1M 180.0(2) .
C14M C15M C16M C17M -0.6(4) .
C15M C16M C17M C18M 0.4(4) .
C16M O1M C19M C20M 176.7(2) .
C16M C17M C18M C13M 0.4(4) .
C18M C13M C14M C15M 0.6(4) .
C19M O1M C16M C15M -174.8(2) .
C19M O1M C16M C17M 5.7(4) .
C19M C20M C21M C22M 73.5(3) .
C20M C21M C22M C23M 179.8(2) .
C21M C22M C23M C24M 80.4(3) .
C22M C23M C24M O2M -177.0(2) .
C24M O2M C25M C26M 171.7(2) .
C24M O2M C25M C30M -7.8(4) .
C25M O2M C24M C23M -165.3(2) .
C25M C26M C27M C28M 0.0(5) .
C26M C25M C30M C29M -0.8(4) .
C26M C27M C28M C29M 0.2(5) .
C27M C28M C29M O3M 178.0(3) .
C27M C28M C29M C30M -0.8(4) .
C28M C29M C30M C25M 1.1(4) .
C29M O3M C31M C32M -66.1(4) .
C30M C25M C26M C27M 0.3(4) .
C31M O3M C29M C28M -7.4(4) .
C31M O3M C29M C30M 171.4(3) .
C31M C32M C33M C34M -57.4(5) .
C32M C33M C34M C35M -177.2(3) .
C33M C34M C35M C36M -160.3(4) .
C34M C35M C36M O4M -73.5(5) .
C36M O4M C37M C38M 172.9(3) .
C36M O4M C37M C42M -7.2(5) .
C37M O4M C36M C35M 178.8(3) .
C37M C38M C39M C40M 0.1(4) .
C38M C37M C42M C41M -0.1(6) .
C38M C39M C40M C1M 180.0(3) .
C38M C39M C40M C41M -0.4(4) .
C39M C40M C41M C42M 0.5(5) .
C40M C1M C2M C3M -177.2(3) .
C40M C41M C42M C37M -0.3(6) .
C42M C37M C38M C39M 0.1(5) .
Cl1T C1T Cl2T Cl2T -152.7(7) 2_676
Cl3T C1T Cl2T Cl2T -39.8(6) 2_676
