#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:31:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179144 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/05/4310504.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_4310504
loop_
_publ_author_name
'Yan-Dan Chen'
'Yong-Hai Qin'
'Li-Yi Zhang'
'Lin-Xi Shi'
'Zhong-Ning Chen'
_publ_contact_author
;
Zhong-Ning Chen
Fujian Institute of Research on the Structure of Matter, 
Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
;
_publ_contact_author_email       '  czn@ms.fjirsm.ac.cn '
_publ_section_title
;
 Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and
 Metal Diphosphine as Components
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1197
_journal_page_last               1205
_journal_paper_doi               10.1021/ic034848a
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C88 H83 Cl8 Cu2 N4 O10 P4 Pt S2'
_chemical_formula_weight         2150.35
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.380(2)
_cell_angle_beta                 103.0880(10)
_cell_angle_gamma                106.4830(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0050(6)
_cell_length_b                   13.8309(7)
_cell_length_c                   28.5804(15)
_cell_measurement_reflns_used    5534
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      .74
_cell_volume                     4716.1(4)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            24683
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.322
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .5269
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'orange yellow'
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             2166
_exptl_crystal_size_max          .76
_exptl_crystal_size_mid          .70
_exptl_crystal_size_min          .66
_refine_diff_density_max         1.402
_refine_diff_density_min         -1.629
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1035
_refine_ls_number_reflns         16490
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.754
_refine_ls_R_factor_all          0.1096
_refine_ls_R_factor_gt           0.0761
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0669P)²+56.7295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1775
_refine_ls_wR_factor_ref         0.2134
_reflns_number_gt                12855
_reflns_number_total             16490
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034848asi20031125_072525_3.cif
_cod_data_source_block           3_(Compound4)
_cod_database_code               4310504
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 1.35632(5) 0.47888(5) 0.23733(2) 0.0317(2) Uani 1 1 d . . .
Cu1 Cu 1.28035(17) 0.47548(16) 0.35648(8) 0.0441(5) Uani 1 1 d . . .
Cu2 Cu 1.25231(17) 0.28837(15) 0.13123(8) 0.0424(5) Uani 1 1 d . . .
Cl1 Cl -0.8132(5) -0.6510(5) -0.1122(2) 0.0693(14) Uani 1 1 d D . .
Cl2 Cl -0.6679(6) -1.0487(5) -0.3638(3) 0.0843(18) Uani 1 1 d D . .
Cl3 Cl 0.2734(18) -0.0931(17) 0.1419(7) 0.276(9) Uiso 1 1 d D . .
Cl4 Cl 0.386(3) -0.070(2) 0.0636(10) 0.410(17) Uiso 1 1 d D . .
Cl5 Cl -0.2897(17) -0.0771(17) -0.3853(6) 0.307(12) Uani 1 1 d D . .
Cl6 Cl -0.3709(12) -0.1066(12) -0.2983(5) 0.214(7) Uani 1 1 d D . .
Cl7 Cl 0.008(5) -0.704(3) -0.394(2) 0.41(3) Uiso 0.50 1 d PD . .
Cl8 Cl -0.104(5) -0.919(4) -0.445(3) 0.52(5) Uiso 0.50 1 d PD . .
Cl9 Cl -0.086(2) -0.548(2) -0.4858(11) 0.343(13) Uiso 1 1 d D . .
S1 S 1.3018(4) 0.3737(3) 0.29088(15) 0.0396(9) Uani 1 1 d . . .
S2 S 1.1855(3) 0.3918(3) 0.18159(15) 0.0370(9) Uani 1 1 d . . .
P1 P 1.3581(3) 0.6371(3) 0.35553(15) 0.0358(9) Uani 1 1 d . . .
P2 P 1.5131(3) 0.5724(3) 0.29890(14) 0.0319(8) Uani 1 1 d . . .
P3 P 1.4257(4) 0.3583(3) 0.12899(15) 0.0362(9) Uani 1 1 d . . .
P4 P 1.4047(3) 0.5611(3) 0.17684(15) 0.0318(9) Uani 1 1 d . . .
O1 O -0.771(3) -0.7346(17) -0.1153(12) 0.180(12) Uani 1 1 d D . .
O01 O 0.774(2) 0.214(2) 0.0891(11) 0.169(11) Uani 1 1 d D . .
O02 O -0.226(2) -1.167(2) -0.5794(8) 0.147(9) Uani 1 1 d . . .
O2 O -0.9227(11) -0.698(2) -0.1418(10) 0.178(13) Uani 1 1 d D . .
O3 O -0.737(2) -0.5799(18) -0.1297(10) 0.189(15) Uani 1 1 d D . .
O4 O -0.811(2) -0.6132(18) -0.0640(5) 0.142(9) Uani 1 1 d D . .
O5 O -0.760(2) -1.013(3) -0.3701(17) 0.25(2) Uani 1 1 d D . .
O6 O -0.5714(19) -0.966(2) -0.3582(11) 0.208(17) Uani 1 1 d D . .
O7 O -0.693(2) -1.1298(14) -0.4033(7) 0.143(9) Uani 1 1 d D . .
O8 O -0.664(3) -1.0911(18) -0.3211(6) 0.170(12) Uani 1 1 d D . .
N1 N 1.1163(12) 0.4185(11) 0.3597(6) 0.050(4) Uani 1 1 d . . .
N2 N 1.3037(12) 0.4028(11) 0.4156(5) 0.044(3) Uani 1 1 d . . .
N3 N 1.1278(12) 0.2279(11) 0.0649(6) 0.049(4) Uani 1 1 d . . .
N4 N 1.1694(12) 0.1455(10) 0.1450(6) 0.047(4) Uani 1 1 d . . .
C01 C 0.667(4) 0.147(4) 0.062(2) 0.28(4) Uiso 1 1 d D . .
H01A H 0.6643 0.1143 0.0297 0.331 Uiso 1 1 calc R . .
H01B H 0.6078 0.1771 0.0608 0.331 Uiso 1 1 calc R . .
C02 C 0.679(5) 0.082(3) 0.101(3) 0.30(4) Uiso 1 1 d D . .
H02A H 0.6078 0.0351 0.0996 0.452 Uiso 1 1 calc R . .
H02B H 0.7100 0.1256 0.1329 0.452 Uiso 1 1 calc R . .
H02C H 0.7284 0.0438 0.0959 0.452 Uiso 1 1 calc R . .
C03 C 0.795(3) 0.293(3) 0.0642(14) 0.20(3) Uani 1 1 d D . .
H03A H 0.7397 0.3271 0.0647 0.237 Uiso 1 1 calc R . .
H03B H 0.7857 0.2641 0.0304 0.237 Uiso 1 1 calc R . .
C04 C 0.910(3) 0.372(2) 0.0842(12) 0.127(13) Uani 1 1 d D . .
H04A H 0.9177 0.4249 0.0652 0.190 Uiso 1 1 calc R . .
H04B H 0.9657 0.3390 0.0824 0.190 Uiso 1 1 calc R . .
H04C H 0.9203 0.4008 0.1177 0.190 Uiso 1 1 calc R . .
C05 C 0.342(4) -0.148(2) 0.1048(14) 0.18(2) Uani 1 1 d D . .
H05A H 0.4063 -0.1586 0.1256 0.217 Uiso 1 1 calc R . .
H05B H 0.2920 -0.2141 0.0865 0.217 Uiso 1 1 calc R . .
C06 C -0.397(2) -0.144(3) -0.3619(7) 0.19(2) Uiso 1 1 d D . .
H06A H -0.4079 -0.2173 -0.3694 0.233 Uiso 1 1 calc R . .
H06B H -0.4662 -0.1337 -0.3782 0.233 Uiso 1 1 calc R . .
C07 C 0.023(3) -0.822(3) -0.4160(19) 0.091(16) Uani 0.50 1 d PD . .
H07A H 0.0683 -0.8117 -0.4389 0.109 Uiso 0.50 1 calc PR . .
H07B H 0.0630 -0.8456 -0.3888 0.109 Uiso 0.50 1 calc PR . .
C08 C 0.058(3) -0.531(8) -0.471(3) 0.22(5) Uiso 0.50 1 d PD . .
H08A H 0.0737 -0.5948 -0.4767 0.263 Uiso 0.50 1 calc PR . .
H08B H 0.0955 -0.4957 -0.4371 0.263 Uiso 0.50 1 calc PR . .
C1 C 1.4860(12) 0.6723(10) 0.3376(5) 0.029(3) Uani 1 1 d . . .
H1A H 1.5362 0.7385 0.3475 0.035 Uiso 1 1 calc R . .
C2 C 1.4878(12) 0.5009(11) 0.1472(6) 0.038(4) Uani 1 1 d . . .
H2A H 1.5615 0.5175 0.1694 0.046 Uiso 1 1 calc R . .
H2B H 1.4962 0.5297 0.1184 0.046 Uiso 1 1 calc R . .
C11 C 1.3911(15) 0.7255(13) 0.4134(6) 0.044(4) Uani 1 1 d . . .
C12 C 1.4827(16) 0.8126(14) 0.4308(7) 0.053(5) Uani 1 1 d . . .
H12A H 1.5330 0.8311 0.4123 0.064 Uiso 1 1 calc R . .
C13 C 1.500(2) 0.8726(17) 0.4759(8) 0.074(6) Uani 1 1 d . . .
H13A H 1.5616 0.9312 0.4875 0.089 Uiso 1 1 calc R . .
C14 C 1.427(3) 0.8465(19) 0.5031(8) 0.079(7) Uani 1 1 d . . .
H14A H 1.4386 0.8867 0.5334 0.094 Uiso 1 1 calc R . .
C15 C 1.337(2) 0.7625(19) 0.4861(8) 0.077(7) Uani 1 1 d . . .
H15A H 1.2862 0.7465 0.5047 0.092 Uiso 1 1 calc R . .
C16 C 1.3169(18) 0.6996(17) 0.4425(7) 0.058(5) Uani 1 1 d . . .
H16A H 1.2553 0.6404 0.4322 0.070 Uiso 1 1 calc R . .
C21 C 1.2678(14) 0.6870(14) 0.3126(6) 0.043(4) Uani 1 1 d . . .
C22 C 1.2861(18) 0.7923(15) 0.3151(8) 0.065(6) Uani 1 1 d . . .
H22A H 1.3447 0.8398 0.3392 0.078 Uiso 1 1 calc R . .
C23 C 1.216(2) 0.8245(19) 0.2814(10) 0.092(9) Uani 1 1 d . . .
H23A H 1.2276 0.8945 0.2833 0.110 Uiso 1 1 calc R . .
C24 C 1.131(2) 0.758(2) 0.2453(10) 0.081(7) Uani 1 1 d . . .
H24A H 1.0857 0.7817 0.2225 0.097 Uiso 1 1 calc R . .
C25 C 1.1109(16) 0.6540(19) 0.2426(7) 0.059(5) Uani 1 1 d . . .
H25A H 1.0510 0.6074 0.2188 0.071 Uiso 1 1 calc R . .
C26 C 1.1814(15) 0.6199(16) 0.2759(7) 0.050(4) Uani 1 1 d . . .
H26A H 1.1698 0.5498 0.2733 0.061 Uiso 1 1 calc R . .
C31 C 1.5658(13) 0.4976(12) 0.3411(6) 0.039(4) Uani 1 1 d . . .
C32 C 1.6200(16) 0.5380(16) 0.3896(7) 0.056(5) Uani 1 1 d . . .
H32A H 1.6235 0.6042 0.4022 0.067 Uiso 1 1 calc R . .
C33 C 1.6696(19) 0.484(2) 0.4205(8) 0.073(6) Uani 1 1 d . . .
H33A H 1.7041 0.5120 0.4534 0.088 Uiso 1 1 calc R . .
C34 C 1.666(2) 0.388(2) 0.4009(10) 0.076(7) Uani 1 1 d . . .
H34A H 1.6988 0.3501 0.4211 0.091 Uiso 1 1 calc R . .
C35 C 1.6164(19) 0.3452(17) 0.3524(10) 0.074(6) Uani 1 1 d . . .
H35A H 1.6172 0.2809 0.3393 0.088 Uiso 1 1 calc R . .
C36 C 1.5647(16) 0.4014(15) 0.3236(8) 0.056(5) Uani 1 1 d . . .
H36A H 1.5278 0.3723 0.2910 0.068 Uiso 1 1 calc R . .
C41 C 1.6419(13) 0.6387(13) 0.2849(6) 0.043(4) Uani 1 1 d . . .
C42 C 1.6912(15) 0.7430(16) 0.2966(7) 0.056(5) Uani 1 1 d . . .
H42A H 1.6588 0.7836 0.3126 0.068 Uiso 1 1 calc R . .
C43 C 1.7897(18) 0.789(2) 0.2847(9) 0.077(7) Uani 1 1 d . . .
H43A H 1.8226 0.8598 0.2923 0.092 Uiso 1 1 calc R . .
C44 C 1.8379(19) 0.728(2) 0.2614(11) 0.097(9) Uani 1 1 d . . .
H44A H 1.9043 0.7584 0.2539 0.117 Uiso 1 1 calc R . .
C45 C 1.7896(17) 0.625(2) 0.2492(9) 0.077(7) Uani 1 1 d . . .
H45A H 1.8226 0.5845 0.2333 0.093 Uiso 1 1 calc R . .
C46 C 1.6914(16) 0.5789(17) 0.2606(7) 0.056(5) Uani 1 1 d . . .
H46A H 1.6580 0.5080 0.2521 0.067 Uiso 1 1 calc R . .
C51 C 1.4496(14) 0.3338(13) 0.0693(6) 0.043(4) Uani 1 1 d . . .
C52 C 1.391(2) 0.241(2) 0.0405(9) 0.097(10) Uani 1 1 d . . .
H52A H 1.3392 0.1939 0.0517 0.116 Uiso 1 1 calc R . .
C53 C 1.405(3) 0.214(3) -0.0052(13) 0.114(10) Uiso 1 1 d . . .
H53A H 1.3675 0.1479 -0.0233 0.137 Uiso 1 1 calc R . .
C54 C 1.474(2) 0.284(3) -0.0234(9) 0.096(9) Uani 1 1 d . . .
H54A H 1.4774 0.2696 -0.0554 0.115 Uiso 1 1 calc R . .
C55 C 1.537(3) 0.376(2) 0.0055(10) 0.097(10) Uani 1 1 d . . .
H55A H 1.5894 0.4218 -0.0056 0.117 Uiso 1 1 calc R . .
C56 C 1.524(2) 0.4011(16) 0.0510(9) 0.074(7) Uani 1 1 d . . .
H56A H 1.5658 0.4653 0.0700 0.089 Uiso 1 1 calc R . .
C61 C 1.5296(15) 0.3158(12) 0.1682(6) 0.044(4) Uani 1 1 d . . .
C62 C 1.6407(17) 0.3486(18) 0.1716(8) 0.065(6) Uani 1 1 d . . .
H62A H 1.6668 0.3977 0.1537 0.079 Uiso 1 1 calc R . .
C63 C 1.7159(19) 0.312(2) 0.2004(10) 0.078(7) Uani 1 1 d . . .
H63A H 1.7914 0.3367 0.2025 0.094 Uiso 1 1 calc R . .
C64 C 1.675(2) 0.237(2) 0.2264(9) 0.081(7) Uani 1 1 d . . .
H64A H 1.7244 0.2112 0.2458 0.097 Uiso 1 1 calc R . .
C65 C 1.568(2) 0.2028(18) 0.2240(9) 0.077(7) Uani 1 1 d . . .
H65A H 1.5422 0.1543 0.2424 0.092 Uiso 1 1 calc R . .
C66 C 1.4932(19) 0.2394(16) 0.1940(8) 0.068(6) Uani 1 1 d . . .
H66A H 1.4174 0.2123 0.1912 0.081 Uiso 1 1 calc R . .
C71 C 1.4846(13) 0.6977(12) 0.1931(6) 0.037(4) Uani 1 1 d . . .
C72 C 1.5749(15) 0.7401(14) 0.1750(7) 0.051(4) Uani 1 1 d . . .
H72A H 1.5993 0.6985 0.1552 0.061 Uiso 1 1 calc R . .
C73 C 1.6275(18) 0.8448(15) 0.1870(8) 0.066(6) Uani 1 1 d . . .
H73A H 1.6874 0.8739 0.1749 0.079 Uiso 1 1 calc R . .
C74 C 1.593(2) 0.9054(15) 0.2161(9) 0.074(7) Uani 1 1 d . . .
H74A H 1.6297 0.9757 0.2241 0.088 Uiso 1 1 calc R . .
C75 C 1.5047(18) 0.8640(14) 0.2338(8) 0.062(5) Uani 1 1 d . . .
H75A H 1.4826 0.9064 0.2543 0.074 Uiso 1 1 calc R . .
C76 C 1.4488(15) 0.7621(13) 0.2220(6) 0.045(4) Uani 1 1 d . . .
H76A H 1.3867 0.7351 0.2331 0.053 Uiso 1 1 calc R . .
C81 C 1.2903(12) 0.5612(11) 0.1266(6) 0.033(3) Uani 1 1 d . . .
C82 C 1.2113(15) 0.6034(15) 0.1383(7) 0.053(5) Uani 1 1 d . . .
H82A H 1.2164 0.6255 0.1710 0.063 Uiso 1 1 calc R . .
C83 C 1.1255(17) 0.6128(16) 0.1022(8) 0.063(6) Uani 1 1 d . . .
H83A H 1.0728 0.6399 0.1104 0.076 Uiso 1 1 calc R . .
C84 C 1.1193(18) 0.5819(17) 0.0541(8) 0.066(6) Uani 1 1 d . . .
H84A H 1.0627 0.5890 0.0296 0.079 Uiso 1 1 calc R . .
C85 C 1.1961(18) 0.5404(16) 0.0417(7) 0.061(5) Uani 1 1 d . . .
H85A H 1.1909 0.5190 0.0090 0.073 Uiso 1 1 calc R . .
C86 C 1.2805(15) 0.5306(13) 0.0777(6) 0.044(4) Uani 1 1 d . . .
H86A H 1.3322 0.5026 0.0690 0.053 Uiso 1 1 calc R . .
C101 C 1.1624(14) 0.2963(12) 0.2602(7) 0.046(4) Uani 1 1 d . . .
C102 C 1.1132(15) 0.3054(12) 0.2136(6) 0.045(4) Uani 1 1 d . . .
C103 C 1.0048(15) 0.2425(14) 0.1914(8) 0.056(5) Uani 1 1 d . . .
H10A H 0.9701 0.2482 0.1601 0.067 Uiso 1 1 calc R . .
C104 C 0.9468(17) 0.1717(15) 0.2143(9) 0.065(6) Uani 1 1 d . . .
H10B H 0.8740 0.1307 0.1986 0.078 Uiso 1 1 calc R . .
C105 C 0.9970(19) 0.1623(15) 0.2603(9) 0.067(6) Uani 1 1 d . . .
C106 C 1.1039(17) 0.2243(14) 0.2838(7) 0.058(5) Uani 1 1 d . . .
H10C H 1.1375 0.2185 0.3153 0.070 Uiso 1 1 calc R . .
C107 C 0.935(3) 0.084(3) 0.2851(14) 0.140(13) Uiso 1 1 d . . .
H10D H 0.8628 0.0470 0.2637 0.210 Uiso 1 1 calc R . .
H10E H 0.9280 0.1181 0.3147 0.210 Uiso 1 1 calc R . .
H10F H 0.9759 0.0371 0.2927 0.210 Uiso 1 1 calc R . .
C111 C 1.0228(17) 0.4268(15) 0.3323(8) 0.063(6) Uani 1 1 d . . .
H11A H 1.0285 0.4707 0.3100 0.076 Uiso 1 1 calc R . .
C112 C 0.9165(18) 0.373(2) 0.3352(10) 0.080(7) Uani 1 1 d . . .
H11B H 0.8537 0.3816 0.3152 0.096 Uiso 1 1 calc R . .
C113 C 0.9059(16) 0.3082(19) 0.3677(10) 0.077(7) Uani 1 1 d . . .
H11C H 0.8358 0.2706 0.3696 0.092 Uiso 1 1 calc R . .
C114 C 1.0004(17) 0.2992(15) 0.3975(8) 0.062(5) Uani 1 1 d . . .
C115 C 0.999(2) 0.237(2) 0.4342(11) 0.089(8) Uani 1 1 d . . .
H11D H 0.9306 0.1994 0.4381 0.107 Uiso 1 1 calc R . .
C116 C 1.095(2) 0.231(2) 0.4637(11) 0.094(9) Uani 1 1 d . . .
H11E H 1.0903 0.1903 0.4874 0.112 Uiso 1 1 calc R . .
C117 C 1.202(2) 0.2863(15) 0.4593(8) 0.064(6) Uani 1 1 d . . .
C118 C 1.303(2) 0.2836(18) 0.4876(9) 0.075(7) Uani 1 1 d . . .
H11F H 1.3035 0.2449 0.5122 0.090 Uiso 1 1 calc R . .
C119 C 1.3998(19) 0.3370(17) 0.4796(8) 0.065(6) Uani 1 1 d . . .
H11G H 1.4673 0.3339 0.4979 0.078 Uiso 1 1 calc R . .
C120 C 1.3966(17) 0.3966(15) 0.4433(7) 0.055(5) Uani 1 1 d . . .
H12B H 1.4638 0.4341 0.4385 0.066 Uiso 1 1 calc R . .
C121 C 1.2069(15) 0.3492(13) 0.4230(7) 0.049(4) Uani 1 1 d . . .
C122 C 1.1056(15) 0.3569(13) 0.3929(7) 0.047(4) Uani 1 1 d . . .
C131 C 1.1116(18) 0.2661(16) 0.0238(7) 0.060(5) Uani 1 1 d . . .
H13B H 1.1646 0.3253 0.0213 0.072 Uiso 1 1 calc R . .
C132 C 1.019(2) 0.2204(17) -0.0147(8) 0.067(6) Uani 1 1 d . . .
H13C H 1.0117 0.2480 -0.0430 0.081 Uiso 1 1 calc R . .
C133 C 0.9372(19) 0.1345(19) -0.0124(8) 0.074(7) Uani 1 1 d . . .
H13D H 0.8723 0.1062 -0.0379 0.088 Uiso 1 1 calc R . .
C134 C 0.9543(16) 0.0914(16) 0.0291(8) 0.058(5) Uani 1 1 d . . .
C135 C 0.8789(18) -0.0014(18) 0.0342(10) 0.075(7) Uani 1 1 d . . .
H13E H 0.8138 -0.0340 0.0093 0.090 Uiso 1 1 calc R . .
C136 C 0.8994(17) -0.0427(16) 0.0741(10) 0.074(7) Uani 1 1 d . . .
H13F H 0.8483 -0.1038 0.0759 0.088 Uiso 1 1 calc R . .
C137 C 0.9962(17) 0.0031(14) 0.1136(8) 0.060(5) Uani 1 1 d . . .
C138 C 1.021(2) -0.0337(16) 0.1567(10) 0.076(7) Uani 1 1 d . . .
H13G H 0.9725 -0.0944 0.1606 0.091 Uiso 1 1 calc R . .
C139 C 1.115(2) 0.0189(18) 0.1933(9) 0.075(7) Uani 1 1 d . . .
H13H H 1.1293 -0.0044 0.2226 0.090 Uiso 1 1 calc R . .
C140 C 1.1887(18) 0.1078(15) 0.1862(8) 0.060(5) Uani 1 1 d . . .
H14B H 1.2536 0.1420 0.2110 0.072 Uiso 1 1 calc R . .
C141 C 1.0743(15) 0.0964(13) 0.1100(7) 0.045(4) Uani 1 1 d . . .
C142 C 1.0518(15) 0.1383(13) 0.0674(7) 0.047(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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'
Cu Cu 0.3201 1.2651 '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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P4 Pt P2 96.61(14) . . ?
P4 Pt S1 171.72(15) . . ?
P2 Pt S1 88.85(14) . . ?
P4 Pt S2 87.31(14) . . ?
P2 Pt S2 172.61(15) . . ?
S1 Pt S2 87.96(14) . . ?
N2 Cu1 N1 80.3(6) . . ?
N2 Cu1 P1 126.7(4) . . ?
N1 Cu1 P1 121.9(4) . . ?
N2 Cu1 S1 106.8(4) . . ?
N1 Cu1 S1 108.1(5) . . ?
P1 Cu1 S1 109.44(16) . . ?
N4 Cu2 N3 79.7(6) . . ?
N4 Cu2 P3 131.9(4) . . ?
N3 Cu2 P3 118.6(4) . . ?
N4 Cu2 S2 97.9(4) . . ?
N3 Cu2 S2 107.1(4) . . ?
P3 Cu2 S2 115.16(16) . . ?
O2 Cl1 O3 119(2) . . ?
O2 Cl1 O4 111.5(17) . . ?
O3 Cl1 O4 111.6(15) . . ?
O2 Cl1 O1 100.5(19) . . ?
O3 Cl1 O1 100.2(19) . . ?
O4 Cl1 O1 112.9(18) . . ?
O6 Cl2 O7 116.2(19) . . ?
O6 Cl2 O8 111.4(17) . . ?
O7 Cl2 O8 107.5(16) . . ?
O6 Cl2 O5 109(2) . . ?
O7 Cl2 O5 107(2) . . ?
O8 Cl2 O5 105(2) . . ?
C08 Cl9 C08 85(3) . 2_544 ?
C101 S1 Pt 104.9(6) . . ?
C101 S1 Cu1 103.0(6) . . ?
Pt S1 Cu1 107.74(17) . . ?
C102 S2 Pt 104.5(6) . . ?
C102 S2 Cu2 104.3(6) . . ?
Pt S2 Cu2 96.49(16) . . ?
C1 P1 C11 103.5(7) . . ?
C1 P1 C21 102.6(7) . . ?
C11 P1 C21 103.3(8) . . ?
C1 P1 Cu1 118.0(5) . . ?
C11 P1 Cu1 115.4(6) . . ?
C21 P1 Cu1 112.3(6) . . ?
C31 P2 C41 99.3(8) . . ?
C31 P2 C1 104.7(7) . . ?
C41 P2 C1 104.4(8) . . ?
C31 P2 Pt 114.4(5) . . ?
C41 P2 Pt 120.8(6) . . ?
C1 P2 Pt 111.4(5) . . ?
C51 P3 C61 102.8(8) . . ?
C51 P3 C2 102.5(8) . . ?
C61 P3 C2 101.5(8) . . ?
C51 P3 Cu2 114.7(6) . . ?
C61 P3 Cu2 115.5(6) . . ?
C2 P3 Cu2 117.7(5) . . ?
C81 P4 C71 100.7(7) . . ?
C81 P4 C2 104.1(8) . . ?
C71 P4 C2 105.1(7) . . ?
C81 P4 Pt 116.2(5) . . ?
C71 P4 Pt 118.2(5) . . ?
C2 P4 Pt 110.9(6) . . ?
C03 O01 C01 104(3) . . ?
C111 N1 C122 116.9(16) . . ?
C111 N1 Cu1 130.7(13) . . ?
C122 N1 Cu1 112.2(12) . . ?
C120 N2 C121 118.0(15) . . ?
C120 N2 Cu1 129.4(12) . . ?
C121 N2 Cu1 112.4(12) . . ?
C131 N3 C142 118.7(17) . . ?
C131 N3 Cu2 129.8(13) . . ?
C142 N3 Cu2 111.4(12) . . ?
C140 N4 C141 118.3(15) . . ?
C140 N4 Cu2 128.7(13) . . ?
C141 N4 Cu2 112.0(11) . . ?
O01 C01 C02 85.9(5) . . ?
O01 C01 H01A 114.3 . . ?
C02 C01 H01A 114.3 . . ?
O01 C01 H01B 114.3 . . ?
C02 C01 H01B 114.3 . . ?
H01A C01 H01B 111.5 . . ?
C01 C02 H02A 109.5 . . ?
C01 C02 H02B 109.5 . . ?
H02A C02 H02B 109.5 . . ?
C01 C02 H02C 109.5 . . ?
H02A C02 H02C 109.5 . . ?
H02B C02 H02C 109.5 . . ?
O01 C03 C04 115(2) . . ?
O01 C03 H03A 108.6 . . ?
C04 C03 H03A 108.6 . . ?
O01 C03 H03B 108.6 . . ?
C04 C03 H03B 108.6 . . ?
H03A C03 H03B 107.6 . . ?
C03 C04 H04A 109.5 . . ?
C03 C04 H04B 109.5 . . ?
H04A C04 H04B 109.5 . . ?
C03 C04 H04C 109.5 . . ?
H04A C04 H04C 109.5 . . ?
H04B C04 H04C 109.5 . . ?
Cl4 C05 Cl3 112.7(7) . . ?
Cl4 C05 H05A 109.1 . . ?
Cl3 C05 H05A 109.1 . . ?
Cl4 C05 H05B 109.1 . . ?
Cl3 C05 H05B 109.1 . . ?
H05A C05 H05B 107.8 . . ?
Cl5 C06 Cl6 113.1(7) . . ?
Cl5 C06 H06A 109.0 . . ?
Cl6 C06 H06A 109.0 . . ?
Cl5 C06 H06B 109.0 . . ?
Cl6 C06 H06B 109.0 . . ?
H06A C06 H06B 107.8 . . ?
Cl8 C07 Cl7 113.9(7) . . ?
Cl8 C07 H07A 108.8 . . ?
Cl7 C07 H07A 108.8 . . ?
Cl8 C07 H07B 108.8 . . ?
Cl7 C07 H07B 108.8 . . ?
H07A C07 H07B 107.7 . . ?
Cl9 C08 Cl9 95(3) . 2_544 ?
Cl9 C08 H08A 112.7 . . ?
Cl9 C08 H08A 112.7 2_544 . ?
Cl9 C08 H08B 112.7 . . ?
Cl9 C08 H08B 112.7 2_544 . ?
H08A C08 H08B 110.2 . . ?
P1 C1 P2 117.4(8) . . ?
P1 C1 H1A 121.3 . . ?
P2 C1 H1A 121.3 . . ?
P4 C2 P3 113.5(8) . . ?
P4 C2 H2A 108.9 . . ?
P3 C2 H2A 108.9 . . ?
P4 C2 H2B 108.9 . . ?
P3 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
C12 C11 C16 118.4(17) . . ?
C12 C11 P1 125.4(14) . . ?
C16 C11 P1 116.1(14) . . ?
C11 C12 C13 120.0(19) . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C14 C13 C12 121(2) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C15 C14 C13 120(2) . . ?
C15 C14 H14A 120.2 . . ?
C13 C14 H14A 120.2 . . ?
C14 C15 C16 122(2) . . ?
C14 C15 H15A 118.8 . . ?
C16 C15 H15A 118.8 . . ?
C15 C16 C11 119(2) . . ?
C15 C16 H16A 120.5 . . ?
C11 C16 H16A 120.5 . . ?
C26 C21 C22 118.4(17) . . ?
C26 C21 P1 119.6(14) . . ?
C22 C21 P1 121.9(14) . . ?
C23 C22 C21 119(2) . . ?
C23 C22 H22A 120.5 . . ?
C21 C22 H22A 120.5 . . ?
C24 C23 C22 122(2) . . ?
C24 C23 H23A 118.9 . . ?
C22 C23 H23A 118.9 . . ?
C23 C24 C25 120(2) . . ?
C23 C24 H24A 120.2 . . ?
C25 C24 H24A 120.2 . . ?
C24 C25 C26 119(2) . . ?
C24 C25 H25A 120.4 . . ?
C26 C25 H25A 120.4 . . ?
C21 C26 C25 121.7(19) . . ?
C21 C26 H26A 119.2 . . ?
C25 C26 H26A 119.2 . . ?
C36 C31 C32 117.2(16) . . ?
C36 C31 P2 119.6(14) . . ?
C32 C31 P2 122.8(13) . . ?
C31 C32 C33 123(2) . . ?
C31 C32 H32A 118.7 . . ?
C33 C32 H32A 118.7 . . ?
C34 C33 C32 118(2) . . ?
C34 C33 H33A 121.1 . . ?
C32 C33 H33A 121.1 . . ?
C33 C34 C35 122(2) . . ?
C33 C34 H34A 119.0 . . ?
C35 C34 H34A 119.0 . . ?
C34 C35 C36 118(2) . . ?
C34 C35 H35A 121.1 . . ?
C36 C35 H35A 121.1 . . ?
C31 C36 C35 123(2) . . ?
C31 C36 H36A 118.6 . . ?
C35 C36 H36A 118.6 . . ?
C42 C41 C46 119.1(17) . . ?
C42 C41 P2 123.4(14) . . ?
C46 C41 P2 117.5(14) . . ?
C41 C42 C43 120(2) . . ?
C41 C42 H42A 119.8 . . ?
C43 C42 H42A 119.8 . . ?
C44 C43 C42 119(2) . . ?
C44 C43 H43A 120.3 . . ?
C42 C43 H43A 120.3 . . ?
C45 C44 C43 121(2) . . ?
C45 C44 H44A 119.6 . . ?
C43 C44 H44A 119.6 . . ?
C44 C45 C46 120(2) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C45 C46 C41 120(2) . . ?
C45 C46 H46A 119.9 . . ?
C41 C46 H46A 119.9 . . ?
C52 C51 C56 117.2(19) . . ?
C52 C51 P3 117.2(15) . . ?
C56 C51 P3 125.6(15) . . ?
C51 C52 C53 122(3) . . ?
C51 C52 H52A 119.2 . . ?
C53 C52 H52A 119.2 . . ?
C54 C53 C52 120(3) . . ?
C54 C53 H53A 120.1 . . ?
C52 C53 H53A 120.1 . . ?
C55 C54 C53 119(3) . . ?
C55 C54 H54A 120.3 . . ?
C53 C54 H54A 120.3 . . ?
C54 C55 C56 120(3) . . ?
C54 C55 H55A 119.9 . . ?
C56 C55 H55A 119.9 . . ?
C55 C56 C51 122(2) . . ?
C55 C56 H56A 119.2 . . ?
C51 C56 H56A 119.2 . . ?
C62 C61 C66 116.8(18) . . ?
C62 C61 P3 124.7(14) . . ?
C66 C61 P3 118.4(15) . . ?
C61 C62 C63 123(2) . . ?
C61 C62 H62A 118.6 . . ?
C63 C62 H62A 118.6 . . ?
C62 C63 C64 118(2) . . ?
C62 C63 H63A 121.1 . . ?
C64 C63 H63A 121.1 . . ?
C65 C64 C63 121(2) . . ?
C65 C64 H64A 119.3 . . ?
C63 C64 H64A 119.3 . . ?
C64 C65 C66 120(2) . . ?
C64 C65 H65A 120.2 . . ?
C66 C65 H65A 120.2 . . ?
C65 C66 C61 121(2) . . ?
C65 C66 H66A 119.3 . . ?
C61 C66 H66A 119.3 . . ?
C76 C71 C72 119.2(15) . . ?
C76 C71 P4 118.3(12) . . ?
C72 C71 P4 122.4(13) . . ?
C73 C72 C71 118.9(18) . . ?
C73 C72 H72A 120.5 . . ?
C71 C72 H72A 120.5 . . ?
C74 C73 C72 120.8(19) . . ?
C74 C73 H73A 119.6 . . ?
C72 C73 H73A 119.6 . . ?
C73 C74 C75 120.4(18) . . ?
C73 C74 H74A 119.8 . . ?
C75 C74 H74A 119.8 . . ?
C76 C75 C74 120.8(19) . . ?
C76 C75 H75A 119.6 . . ?
C74 C75 H75A 119.6 . . ?
C75 C76 C71 119.8(17) . . ?
C75 C76 H76A 120.1 . . ?
C71 C76 H76A 120.1 . . ?
C86 C81 C82 117.6(15) . . ?
C86 C81 P4 124.9(12) . . ?
C82 C81 P4 117.3(13) . . ?
C83 C82 C81 121.2(18) . . ?
C83 C82 H82A 119.4 . . ?
C81 C82 H82A 119.4 . . ?
C84 C83 C82 119.2(19) . . ?
C84 C83 H83A 120.4 . . ?
C82 C83 H83A 120.4 . . ?
C83 C84 C85 120.6(18) . . ?
C83 C84 H84A 119.7 . . ?
C85 C84 H84A 119.7 . . ?
C86 C85 C84 119.9(19) . . ?
C86 C85 H85A 120.1 . . ?
C84 C85 H85A 120.1 . . ?
C85 C86 C81 121.4(17) . . ?
C85 C86 H86A 119.3 . . ?
C81 C86 H86A 119.3 . . ?
C102 C101 C106 120.4(17) . . ?
C102 C101 S1 120.5(12) . . ?
C106 C101 S1 119.1(15) . . ?
C101 C102 C103 117.8(16) . . ?
C101 C102 S2 121.9(13) . . ?
C103 C102 S2 120.2(15) . . ?
C104 C103 C102 122(2) . . ?
C104 C103 H10A 118.9 . . ?
C102 C103 H10A 118.9 . . ?
C105 C104 C103 119.5(19) . . ?
C105 C104 H10B 120.2 . . ?
C103 C104 H10B 120.2 . . ?
C104 C105 C106 120.1(18) . . ?
C104 C105 C107 120(2) . . ?
C106 C105 C107 120(3) . . ?
C105 C106 C101 120(2) . . ?
C105 C106 H10C 120.0 . . ?
C101 C106 H10C 120.0 . . ?
C105 C107 H10D 109.5 . . ?
C105 C107 H10E 109.5 . . ?
H10D C107 H10E 109.5 . . ?
C105 C107 H10F 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
N1 C111 C112 124(2) . . ?
N1 C111 H11A 118.2 . . ?
C112 C111 H11A 118.2 . . ?
C113 C112 C111 119(2) . . ?
C113 C112 H11B 120.4 . . ?
C111 C112 H11B 120.4 . . ?
C112 C113 C114 119.0(19) . . ?
C112 C113 H11C 120.5 . . ?
C114 C113 H11C 120.5 . . ?
C113 C114 C122 118.6(19) . . ?
C113 C114 C115 123(2) . . ?
C122 C114 C115 118(2) . . ?
C116 C115 C114 122(2) . . ?
C116 C115 H11D 119.1 . . ?
C114 C115 H11D 119.1 . . ?
C115 C116 C117 122(2) . . ?
C115 C116 H11E 119.1 . . ?
C117 C116 H11E 119.1 . . ?
C118 C117 C116 125(2) . . ?
C118 C117 C121 116.6(19) . . ?
C116 C117 C121 118(2) . . ?
C119 C118 C117 120(2) . . ?
C119 C118 H11F 119.8 . . ?
C117 C118 H11F 119.8 . . ?
C118 C119 C120 119(2) . . ?
C118 C119 H11G 120.6 . . ?
C120 C119 H11G 120.6 . . ?
N2 C120 C119 123.6(19) . . ?
N2 C120 H12B 118.2 . . ?
C119 C120 H12B 118.2 . . ?
N2 C121 C117 122.6(18) . . ?
N2 C121 C122 117.7(16) . . ?
C117 C121 C122 119.7(17) . . ?
N1 C122 C114 122.5(18) . . ?
N1 C122 C121 116.9(16) . . ?
C114 C122 C121 120.6(17) . . ?
N3 C131 C132 121.8(19) . . ?
N3 C131 H13B 119.1 . . ?
C132 C131 H13B 119.1 . . ?
C131 C132 C133 121(2) . . ?
C131 C132 H13C 119.3 . . ?
C133 C132 H13C 119.3 . . ?
C132 C133 C134 117.8(19) . . ?
C132 C133 H13D 121.1 . . ?
C134 C133 H13D 121.1 . . ?
C133 C134 C142 119(2) . . ?
C133 C134 C135 123(2) . . ?
C142 C134 C135 118(2) . . ?
C136 C135 C134 121(2) . . ?
C136 C135 H13E 119.3 . . ?
C134 C135 H13E 119.3 . . ?
C135 C136 C137 122.4(19) . . ?
C135 C136 H13F 118.8 . . ?
C137 C136 H13F 118.8 . . ?
C138 C137 C136 125(2) . . ?
C138 C137 C141 117(2) . . ?
C136 C137 C141 118(2) . . ?
C139 C138 C137 120(2) . . ?
C139 C138 H13G 119.8 . . ?
C137 C138 H13G 119.8 . . ?
C138 C139 C140 119(2) . . ?
C138 C139 H13H 120.3 . . ?
C140 C139 H13H 120.3 . . ?
N4 C140 C139 122(2) . . ?
N4 C140 H14B 118.9 . . ?
C139 C140 H14B 118.9 . . ?
N4 C141 C142 118.3(15) . . ?
N4 C141 C137 122.9(17) . . ?
C142 C141 C137 118.8(18) . . ?
N3 C142 C134 120.7(18) . . ?
N3 C142 C141 117.6(16) . . ?
C134 C142 C141 121.7(17) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt P4 2.281(4) . ?
Pt P2 2.302(4) . ?
Pt S1 2.316(4) . ?
Pt S2 2.318(4) . ?
Cu1 N2 2.068(13) . ?
Cu1 N1 2.082(15) . ?
Cu1 P1 2.183(5) . ?
Cu1 S1 2.334(5) . ?
Cu2 N4 2.093(14) . ?
Cu2 N3 2.098(15) . ?
Cu2 P3 2.206(5) . ?
Cu2 S2 2.385(5) . ?
Cl1 O2 1.404(7) . ?
Cl1 O3 1.404(7) . ?
Cl1 O4 1.411(7) . ?
Cl1 O1 1.417(7) . ?
Cl2 O6 1.404(7) . ?
Cl2 O7 1.408(7) . ?
Cl2 O8 1.410(7) . ?
Cl2 O5 1.412(8) . ?
Cl3 C05 1.767(8) . ?
Cl4 C05 1.762(8) . ?
Cl5 C06 1.761(8) . ?
Cl6 C06 1.762(8) . ?
Cl7 C07 1.763(8) . ?
Cl8 C07 1.762(8) . ?
Cl9 C08 1.76(2) . ?
Cl9 C08 1.78(2) 2_544 ?
S1 C101 1.781(17) . ?
S2 C102 1.772(16) . ?
P1 C1 1.803(16) . ?
P1 C11 1.829(18) . ?
P1 C21 1.831(17) . ?
P2 C31 1.817(16) . ?
P2 C41 1.823(16) . ?
P2 C1 1.835(14) . ?
P3 C51 1.814(17) . ?
P3 C61 1.827(17) . ?
P3 C2 1.869(15) . ?
P4 C81 1.819(15) . ?
P4 C71 1.827(15) . ?
P4 C2 1.829(16) . ?
O01 C03 1.36(4) . ?
O01 C01 1.418(8) . ?
N1 C111 1.33(2) . ?
N1 C122 1.35(2) . ?
N2 C120 1.32(2) . ?
N2 C121 1.34(2) . ?
N3 C131 1.34(2) . ?
N3 C142 1.37(2) . ?
N4 C140 1.34(2) . ?
N4 C141 1.34(2) . ?
C01 C02 1.525(8) . ?
C01 H01A 0.9700 . ?
C01 H01B 0.9700 . ?
C02 H02A 0.9600 . ?
C02 H02B 0.9600 . ?
C02 H02C 0.9600 . ?
C03 C04 1.522(8) . ?
C03 H03A 0.9700 . ?
C03 H03B 0.9700 . ?
C04 H04A 0.9600 . ?
C04 H04B 0.9600 . ?
C04 H04C 0.9600 . ?
C05 H05A 0.9700 . ?
C05 H05B 0.9700 . ?
C06 H06A 0.9700 . ?
C06 H06B 0.9700 . ?
C07 H07A 0.9700 . ?
C07 H07B 0.9700 . ?
C08 Cl9 1.78(2) 2_544 ?
C08 H08A 0.9700 . ?
C08 H08B 0.9700 . ?
C1 H1A 0.9300 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C11 C12 1.38(2) . ?
C11 C16 1.41(2) . ?
C12 C13 1.39(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.36(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.34(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.36(3) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C21 C26 1.37(2) . ?
C21 C22 1.40(3) . ?
C22 C23 1.37(3) . ?
C22 H22A 0.9300 . ?
C23 C24 1.36(3) . ?
C23 H23A 0.9300 . ?
C24 C25 1.37(3) . ?
C24 H24A 0.9300 . ?
C25 C26 1.38(3) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C31 C36 1.36(2) . ?
C31 C32 1.38(2) . ?
C32 C33 1.38(3) . ?
C32 H32A 0.9300 . ?
C33 C34 1.37(3) . ?
C33 H33A 0.9300 . ?
C34 C35 1.37(3) . ?
C34 H34A 0.9300 . ?
C35 C36 1.39(3) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C41 C42 1.37(3) . ?
C41 C46 1.40(3) . ?
C42 C43 1.39(3) . ?
C42 H42A 0.9300 . ?
C43 C44 1.38(4) . ?
C43 H43A 0.9300 . ?
C44 C45 1.36(4) . ?
C44 H44A 0.9300 . ?
C45 C46 1.38(3) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C51 C52 1.36(3) . ?
C51 C56 1.38(3) . ?
C52 C53 1.39(4) . ?
C52 H52A 0.9300 . ?
C53 C54 1.36(4) . ?
C53 H53A 0.9300 . ?
C54 C55 1.35(4) . ?
C54 H54A 0.9300 . ?
C55 C56 1.37(3) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C61 C62 1.36(3) . ?
C61 C66 1.39(3) . ?
C62 C63 1.38(3) . ?
C62 H62A 0.9300 . ?
C63 C64 1.39(3) . ?
C63 H63A 0.9300 . ?
C64 C65 1.33(3) . ?
C64 H64A 0.9300 . ?
C65 C66 1.39(3) . ?
C65 H65A 0.9300 . ?
C66 H66A 0.9300 . ?
C71 C76 1.39(2) . ?
C71 C72 1.39(2) . ?
C72 C73 1.38(3) . ?
C72 H72A 0.9300 . ?
C73 C74 1.35(3) . ?
C73 H73A 0.9300 . ?
C74 C75 1.36(3) . ?
C74 H74A 0.9300 . ?
C75 C76 1.35(2) . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9300 . ?
C81 C86 1.38(2) . ?
C81 C82 1.40(2) . ?
C82 C83 1.39(3) . ?
C82 H82A 0.9300 . ?
C83 C84 1.37(3) . ?
C83 H83A 0.9300 . ?
C84 C85 1.38(3) . ?
C84 H84A 0.9300 . ?
C85 C86 1.37(2) . ?
C85 H85A 0.9300 . ?
C86 H86A 0.9300 . ?
C101 C102 1.38(3) . ?
C101 C106 1.41(2) . ?
C102 C103 1.39(2) . ?
C103 C104 1.38(3) . ?
C103 H10A 0.9300 . ?
C104 C105 1.37(3) . ?
C104 H10B 0.9300 . ?
C105 C106 1.38(3) . ?
C105 C107 1.50(4) . ?
C106 H10C 0.9300 . ?
C107 H10D 0.9600 . ?
C107 H10E 0.9600 . ?
C107 H10F 0.9600 . ?
C111 C112 1.40(3) . ?
C111 H11A 0.9300 . ?
C112 C113 1.36(3) . ?
C112 H11B 0.9300 . ?
C113 C114 1.37(3) . ?
C113 H11C 0.9300 . ?
C114 C122 1.42(2) . ?
C114 C115 1.43(3) . ?
C115 C116 1.37(4) . ?
C115 H11D 0.9300 . ?
C116 C117 1.42(3) . ?
C116 H11E 0.9300 . ?
C117 C118 1.39(3) . ?
C117 C121 1.43(3) . ?
C118 C119 1.35(3) . ?
C118 H11F 0.9300 . ?
C119 C120 1.40(3) . ?
C119 H11G 0.9300 . ?
C120 H12B 0.9300 . ?
C121 C122 1.44(3) . ?
C131 C132 1.37(3) . ?
C131 H13B 0.9300 . ?
C132 C133 1.37(3) . ?
C132 H13C 0.9300 . ?
C133 C134 1.39(3) . ?
C133 H13D 0.9300 . ?
C134 C142 1.40(3) . ?
C134 C135 1.42(3) . ?
C135 C136 1.34(3) . ?
C135 H13E 0.9300 . ?
C136 C137 1.42(3) . ?
C136 H13F 0.9300 . ?
C137 C138 1.39(3) . ?
C137 C141 1.43(2) . ?
C138 C139 1.37(3) . ?
C138 H13G 0.9300 . ?
C139 C140 1.40(3) . ?
C139 H13H 0.9300 . ?
C140 H14B 0.9300 . ?
C141 C142 1.41(3) . ?
