#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/05/4310505.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_4310505
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            'C87.5 H86 Ag2 Cl3 F6 O P6 Pt S3 Sb'
_chemical_formula_weight         2188.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.6850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4509(7)
_cell_length_b                   36.7809(13)
_cell_length_c                   17.3230(8)
_cell_measurement_reflns_used    5542
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.11
_cell_volume                     9365.4(7)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28116
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.496
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .6429
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             4340
_exptl_crystal_size_max          .76
_exptl_crystal_size_mid          .42
_exptl_crystal_size_min          .40
_refine_diff_density_max         1.311
_refine_diff_density_min         -1.486
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.248
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         16325
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.1241
_refine_ls_R_factor_gt           0.0836
_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)+(0.0523P)²+101.6786P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1774
_refine_ls_wR_factor_ref         0.2086
_reflns_number_gt                11817
_reflns_number_total             16325
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034848asi20031125_072525_4.cif
_cod_data_source_block           4_(Compound6)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C87.50 H86 Ag2 Cl3 F6 O P6 Pt S3 Sb'
_cod_database_code               4310505
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 2.10947(3) 0.418996(13) 0.69518(3) 0.03988(14) Uani 1 1 d . . .
Ag1 Ag 2.13563(7) 0.38218(3) 0.89386(7) 0.0546(3) Uani 1 1 d . . .
Ag2 Ag 2.02194(7) 0.34052(3) 0.70992(7) 0.0519(3) Uani 1 1 d . . .
Sb Sb 1.14999(8) 0.13900(4) 0.41627(8) 0.0797(4) Uani 1 1 d . . .
Cl1 Cl 1.3826(14) 0.6093(6) 0.7286(13) 0.375(10) Uiso 1 1 d D . .
Cl2 Cl 1.2314(10) 0.5755(4) 0.6013(7) 0.271(7) Uani 1 1 d D . .
Cl3 Cl 1.560(4) 0.5606(18) 0.590(3) 0.31(3) Uiso 0.25 1 d PD A 1
Cl4 Cl 1.713(5) 0.600(2) 0.728(4) 0.39(4) Uiso 0.25 1 d PD A 1
Cl3' Cl 1.534(5) 0.592(2) 0.648(5) 0.42(5) Uiso 0.25 1 d PD A 2
Cl4' Cl 1.681(4) 0.5510(17) 0.635(4) 0.30(3) Uiso 0.25 1 d PD A 2
S1 S 2.0737(2) 0.44205(10) 0.8007(2) 0.0498(8) Uani 1 1 d . . .
S2 S 1.9561(2) 0.40724(9) 0.6147(2) 0.0510(8) Uani 1 1 d . . .
S3 S 2.1840(2) 0.32555(10) 0.8311(2) 0.0544(9) Uani 1 1 d . . .
H3A H 2.2458 0.3046 0.8485 0.065 Uiso 1 1 calc R . .
P1 P 2.0244(2) 0.36262(9) 0.9404(2) 0.0451(8) Uani 1 1 d . . .
P2 P 1.9055(2) 0.32925(10) 0.7611(2) 0.0457(8) Uani 1 1 d . . .
P3 P 2.0286(2) 0.32067(9) 0.5751(2) 0.0467(8) Uani 1 1 d . . .
P4 P 2.1282(2) 0.39501(9) 0.5813(2) 0.0410(7) Uani 1 1 d . . .
P5 P 2.2583(2) 0.43864(9) 0.7767(2) 0.0427(7) Uani 1 1 d . . .
P6 P 2.2940(2) 0.40430(10) 0.9577(2) 0.0466(8) Uani 1 1 d . . .
F1 F 1.0862(11) 0.1405(6) 0.2983(9) 0.197(9) Uani 1 1 d . . .
F2 F 1.2354(8) 0.1711(4) 0.4111(9) 0.122(4) Uani 1 1 d . . .
F3 F 1.2129(12) 0.1380(5) 0.5325(9) 0.176(7) Uani 1 1 d . . .
F4 F 1.0655(8) 0.1062(4) 0.4228(8) 0.121(4) Uani 1 1 d . . .
F5 F 1.0852(11) 0.1768(4) 0.4274(14) 0.184(7) Uani 1 1 d . . .
F6 F 1.2106(11) 0.1016(4) 0.3978(15) 0.203(9) Uani 1 1 d . . .
O01 O 1.953(2) 0.6630(10) 0.706(3) 0.313(17) Uiso 1 1 d D . .
C01 C 1.3420(15) 0.5662(7) 0.683(2) 0.28(2) Uiso 1 1 d D . .
H01A H 1.3402 0.5496 0.7256 0.336 Uiso 1 1 calc R . .
H01B H 1.3798 0.5559 0.6587 0.336 Uiso 1 1 calc R . .
C02 C 1.886(4) 0.6781(11) 0.728(5) 0.46(5) Uiso 1 1 d D . .
H02A H 1.8541 0.6976 0.6880 0.556 Uiso 1 1 calc R . .
H02B H 1.9153 0.6880 0.7857 0.556 Uiso 1 1 calc R . .
C03 C 1.820(3) 0.6481(17) 0.722(4) 0.40(4) Uiso 1 1 d D . .
H03A H 1.7675 0.6588 0.7244 0.607 Uiso 1 1 calc R . .
H03B H 1.8489 0.6317 0.7700 0.607 Uiso 1 1 calc R . .
H03C H 1.8010 0.6351 0.6690 0.607 Uiso 1 1 calc R . .
C04 C 2.041(2) 0.6791(8) 0.741(4) 0.34(3) Uiso 1 1 d D . .
H04A H 2.0542 0.6911 0.7952 0.405 Uiso 1 1 calc R . .
H04B H 2.0438 0.6969 0.7010 0.405 Uiso 1 1 calc R . .
C05 C 2.107(2) 0.6481(10) 0.755(2) 0.217(16) Uiso 1 1 d D . .
H05A H 2.1669 0.6579 0.7709 0.325 Uiso 1 1 calc R . .
H05B H 2.0880 0.6344 0.7023 0.325 Uiso 1 1 calc R . .
H05C H 2.1092 0.6325 0.7999 0.325 Uiso 1 1 calc R . .
C06 C 1.631(4) 0.5651(18) 0.702(3) 0.27(4) Uiso 0.50 1 d PD . .
C11 C 2.0470(10) 0.3203(4) 1.0020(8) 0.052(3) Uani 1 1 d . . .
C12 C 1.9842(13) 0.3024(5) 1.0223(10) 0.079(5) Uani 1 1 d . . .
H12A H 1.9259 0.3118 1.0037 0.095 Uiso 1 1 calc R . .
C13 C 2.0085(18) 0.2714(6) 1.0692(13) 0.106(7) Uani 1 1 d . . .
H13A H 1.9666 0.2600 1.0835 0.127 Uiso 1 1 calc R . .
C14 C 2.0922(18) 0.2562(5) 1.0961(13) 0.104(7) Uani 1 1 d . . .
H14A H 2.1066 0.2346 1.1274 0.125 Uiso 1 1 calc R . .
C15 C 2.1549(17) 0.2729(5) 1.0770(14) 0.106(7) Uani 1 1 d . . .
H15A H 2.2128 0.2630 1.0962 0.127 Uiso 1 1 calc R . .
C16 C 2.1319(12) 0.3048(5) 1.0285(11) 0.083(5) Uani 1 1 d . . .
H16A H 2.1740 0.3157 1.0137 0.100 Uiso 1 1 calc R . .
C21 C 2.0066(9) 0.3969(4) 1.0074(8) 0.047(3) Uani 1 1 d . . .
C22 C 1.9278(12) 0.3995(5) 1.0164(11) 0.083(5) Uani 1 1 d . . .
H22A H 1.8811 0.3828 0.9890 0.100 Uiso 1 1 calc R . .
C23 C 1.9181(13) 0.4269(5) 1.0662(12) 0.086(5) Uani 1 1 d . . .
H23A H 1.8648 0.4282 1.0723 0.103 Uiso 1 1 calc R . .
C24 C 1.9849(15) 0.4521(5) 1.1066(12) 0.086(6) Uani 1 1 d . . .
H24A H 1.9775 0.4706 1.1395 0.103 Uiso 1 1 calc R . .
C25 C 2.0621(15) 0.4494(5) 1.0974(14) 0.105(7) Uani 1 1 d . . .
H25A H 2.1087 0.4662 1.1247 0.126 Uiso 1 1 calc R . .
C26 C 2.0725(13) 0.4220(5) 1.0479(11) 0.085(5) Uani 1 1 d . . .
H26A H 2.1260 0.4208 1.0422 0.102 Uiso 1 1 calc R . .
C31 C 1.9070(9) 0.2826(4) 0.7977(8) 0.050(3) Uani 1 1 d . . .
C32 C 1.8380(13) 0.2677(5) 0.8074(14) 0.094(6) Uani 1 1 d . . .
H32A H 1.7852 0.2812 0.7926 0.112 Uiso 1 1 calc R . .
C33 C 1.8437(16) 0.2325(6) 0.8395(15) 0.111(7) Uani 1 1 d . . .
H33A H 1.7953 0.2226 0.8465 0.133 Uiso 1 1 calc R . .
C34 C 1.9207(16) 0.2125(5) 0.8604(13) 0.102(7) Uani 1 1 d . . .
H34A H 1.9250 0.1889 0.8809 0.123 Uiso 1 1 calc R . .
C35 C 1.9902(14) 0.2274(5) 0.8510(13) 0.089(6) Uani 1 1 d . . .
H35A H 2.0430 0.2139 0.8659 0.107 Uiso 1 1 calc R . .
C36 C 1.9853(11) 0.2619(4) 0.8201(11) 0.069(4) Uani 1 1 d . . .
H36A H 2.0343 0.2716 0.8140 0.083 Uiso 1 1 calc R . .
C41 C 1.7887(8) 0.3358(4) 0.6794(9) 0.051(3) Uani 1 1 d . . .
C42 C 1.7676(11) 0.3294(5) 0.5950(10) 0.076(5) Uani 1 1 d . . .
H42A H 1.8131 0.3216 0.5810 0.091 Uiso 1 1 calc R . .
C43 C 1.6804(13) 0.3342(6) 0.5298(11) 0.100(7) Uani 1 1 d . . .
H43A H 1.6675 0.3301 0.4724 0.120 Uiso 1 1 calc R . .
C44 C 1.6142(13) 0.3449(6) 0.5507(12) 0.094(6) Uani 1 1 d . . .
H44A H 1.5558 0.3489 0.5069 0.113 Uiso 1 1 calc R . .
C45 C 1.6309(11) 0.3498(5) 0.6339(12) 0.078(5) Uani 1 1 d . . .
H45A H 1.5836 0.3555 0.6473 0.094 Uiso 1 1 calc R . .
C46 C 1.7186(9) 0.3465(4) 0.6988(9) 0.063(4) Uani 1 1 d . . .
H46A H 1.7311 0.3514 0.7557 0.075 Uiso 1 1 calc R . .
C51 C 1.9239(11) 0.3008(4) 0.4939(9) 0.058(4) Uani 1 1 d . . .
C52 C 1.8517(12) 0.3205(5) 0.4371(11) 0.085(5) Uani 1 1 d . . .
H52A H 1.8577 0.3455 0.4344 0.101 Uiso 1 1 calc R . .
C53 C 1.7687(13) 0.3041(6) 0.3828(13) 0.095(6) Uani 1 1 d . . .
H53A H 1.7194 0.3179 0.3449 0.113 Uiso 1 1 calc R . .
C54 C 1.7627(16) 0.2684(6) 0.3874(15) 0.106(7) Uani 1 1 d . . .
H54A H 1.7100 0.2570 0.3477 0.127 Uiso 1 1 calc R . .
C55 C 1.8282(17) 0.2478(7) 0.4457(19) 0.137(10) Uani 1 1 d . . .
H55A H 1.8205 0.2230 0.4507 0.164 Uiso 1 1 calc R . .
C56 C 1.9073(14) 0.2653(5) 0.4976(15) 0.117(8) Uani 1 1 d . . .
H56A H 1.9536 0.2514 0.5390 0.140 Uiso 1 1 calc R . .
C61 C 2.1129(10) 0.2873(3) 0.5765(9) 0.055(3) Uani 1 1 d . . .
C62 C 2.1319(15) 0.2818(5) 0.5069(13) 0.096(6) Uani 1 1 d . . .
H62A H 2.1050 0.2962 0.4578 0.115 Uiso 1 1 calc R . .
C63 C 2.1901(18) 0.2549(6) 0.5121(18) 0.124(9) Uani 1 1 d . . .
H63A H 2.1994 0.2501 0.4639 0.149 Uiso 1 1 calc R . .
C64 C 2.2353(15) 0.2349(5) 0.5838(18) 0.108(8) Uani 1 1 d . . .
H64A H 2.2776 0.2176 0.5862 0.129 Uiso 1 1 calc R . .
C65 C 2.2178(15) 0.2404(5) 0.6531(14) 0.098(6) Uani 1 1 d . . .
H65A H 2.2475 0.2263 0.7026 0.118 Uiso 1 1 calc R . .
C66 C 2.1565(11) 0.2666(4) 0.6504(11) 0.067(4) Uani 1 1 d . . .
H66A H 2.1449 0.2704 0.6975 0.080 Uiso 1 1 calc R . .
C71 C 2.1085(9) 0.4271(3) 0.4957(9) 0.052(3) Uani 1 1 d . . .
C72 C 2.0948(9) 0.4627(4) 0.5079(9) 0.052(3) Uani 1 1 d . . .
H72A H 2.0955 0.4698 0.5597 0.062 Uiso 1 1 calc R . .
C73 C 2.0798(12) 0.4885(5) 0.4451(11) 0.076(5) Uani 1 1 d . . .
H73A H 2.0733 0.5127 0.4562 0.091 Uiso 1 1 calc R . .
C74 C 2.0746(13) 0.4790(5) 0.3686(13) 0.089(6) Uani 1 1 d . . .
H74A H 2.0654 0.4964 0.3265 0.107 Uiso 1 1 calc R . .
C75 C 2.0834(13) 0.4423(6) 0.3534(10) 0.088(6) Uani 1 1 d . . .
H75A H 2.0773 0.4351 0.2996 0.106 Uiso 1 1 calc R . .
C76 C 2.1008(11) 0.4166(4) 0.4166(9) 0.066(4) Uani 1 1 d . . .
H76A H 2.1074 0.3923 0.4058 0.080 Uiso 1 1 calc R . .
C81 C 2.2352(9) 0.3718(4) 0.6082(9) 0.053(3) Uani 1 1 d . . .
C82 C 2.2670(9) 0.3489(4) 0.6783(9) 0.054(3) Uani 1 1 d . . .
H82A H 2.2360 0.3474 0.7118 0.065 Uiso 1 1 calc R . .
C83 C 2.3456(11) 0.3279(5) 0.7003(13) 0.083(5) Uani 1 1 d . . .
H83A H 2.3681 0.3129 0.7488 0.099 Uiso 1 1 calc R . .
C84 C 2.3877(13) 0.3301(6) 0.6481(17) 0.100(7) Uani 1 1 d . . .
H84A H 2.4397 0.3162 0.6623 0.120 Uiso 1 1 calc R . .
C85 C 2.3587(13) 0.3510(6) 0.5783(16) 0.101(7) Uani 1 1 d . . .
H85A H 2.3883 0.3509 0.5435 0.121 Uiso 1 1 calc R . .
C86 C 2.2809(11) 0.3738(5) 0.5575(11) 0.075(5) Uani 1 1 d . . .
H86A H 2.2612 0.3897 0.5108 0.090 Uiso 1 1 calc R . .
C91 C 2.3296(8) 0.4448(4) 0.7208(8) 0.049(3) Uani 1 1 d . . .
C92 C 2.4068(9) 0.4237(4) 0.7403(9) 0.058(4) Uani 1 1 d . . .
H92A H 2.4237 0.4055 0.7819 0.069 Uiso 1 1 calc R . .
C93 C 2.4588(11) 0.4305(5) 0.6956(12) 0.074(5) Uani 1 1 d . . .
H93A H 2.5095 0.4162 0.7063 0.089 Uiso 1 1 calc R . .
C94 C 2.4349(13) 0.4579(6) 0.6369(13) 0.093(6) Uani 1 1 d . . .
H94A H 2.4710 0.4629 0.6094 0.112 Uiso 1 1 calc R . .
C95 C 2.3579(13) 0.4783(5) 0.6174(12) 0.084(5) Uani 1 1 d . . .
H95A H 2.3409 0.4964 0.5756 0.101 Uiso 1 1 calc R . .
C96 C 2.3055(10) 0.4716(4) 0.6611(9) 0.064(4) Uani 1 1 d . . .
H96A H 2.2540 0.4855 0.6490 0.077 Uiso 1 1 calc R . .
C100 C 1.9096(8) 0.3569(3) 0.8509(8) 0.043(3) Uani 1 1 d . . .
H10A H 1.8711 0.3456 0.8732 0.051 Uiso 1 1 calc R . .
H10B H 1.8846 0.3807 0.8290 0.051 Uiso 1 1 calc R . .
C101 C 2.2631(9) 0.4854(4) 0.8146(9) 0.051(3) Uani 1 1 d . . .
C102 C 2.3436(11) 0.4996(4) 0.8788(10) 0.066(4) Uani 1 1 d . . .
H10C H 2.3945 0.4847 0.9046 0.080 Uiso 1 1 calc R . .
C103 C 2.3490(15) 0.5355(6) 0.9047(13) 0.092(6) Uani 1 1 d . . .
H10D H 2.4025 0.5441 0.9496 0.110 Uiso 1 1 calc R . .
C104 C 2.2746(18) 0.5587(6) 0.8636(16) 0.104(7) Uani 1 1 d . . .
H10E H 2.2776 0.5829 0.8804 0.125 Uiso 1 1 calc R . .
C105 C 2.1975(14) 0.5449(5) 0.7984(14) 0.090(6) Uani 1 1 d . . .
H10F H 2.1480 0.5601 0.7691 0.107 Uiso 1 1 calc R . .
C106 C 2.1911(11) 0.5087(4) 0.7745(11) 0.066(4) Uani 1 1 d . . .
H10G H 2.1370 0.5000 0.7305 0.080 Uiso 1 1 calc R . .
C111 C 2.3297(10) 0.4452(4) 1.0234(9) 0.055(3) Uani 1 1 d . . .
C112 C 2.4185(10) 0.4520(5) 1.0835(10) 0.073(5) Uani 1 1 d . . .
H11A H 2.4635 0.4349 1.0927 0.087 Uiso 1 1 calc R . .
C113 C 2.4404(13) 0.4837(6) 1.1295(12) 0.092(6) Uani 1 1 d . . .
H11B H 2.5005 0.4880 1.1691 0.111 Uiso 1 1 calc R . .
C114 C 2.3757(17) 0.5091(6) 1.1184(14) 0.113(8) Uani 1 1 d . . .
H11C H 2.3922 0.5308 1.1492 0.136 Uiso 1 1 calc R . .
C115 C 2.2860(14) 0.5027(5) 1.0619(12) 0.088(5) Uani 1 1 d . . .
H11D H 2.2411 0.5194 1.0559 0.105 Uiso 1 1 calc R . .
C116 C 2.2639(11) 0.4710(4) 1.0142(10) 0.066(4) Uani 1 1 d . . .
H11E H 2.2037 0.4668 0.9748 0.080 Uiso 1 1 calc R . .
C121 C 2.3740(9) 0.3696(4) 1.0280(9) 0.057(4) Uani 1 1 d . . .
C122 C 2.3561(12) 0.3558(5) 1.0917(11) 0.084(5) Uani 1 1 d . . .
H12B H 2.3066 0.3643 1.0987 0.101 Uiso 1 1 calc R . .
C123 C 2.4120(14) 0.3291(6) 1.1461(13) 0.104(7) Uani 1 1 d . . .
H12C H 2.3986 0.3195 1.1887 0.125 Uiso 1 1 calc R . .
C124 C 2.4858(14) 0.3166(5) 1.1387(13) 0.093(6) Uani 1 1 d . . .
H12D H 2.5230 0.2986 1.1752 0.111 Uiso 1 1 calc R . .
C125 C 2.5030(13) 0.3309(6) 1.0773(14) 0.099(6) Uani 1 1 d . . .
H12E H 2.5545 0.3233 1.0727 0.119 Uiso 1 1 calc R . .
C126 C 2.4480(11) 0.3567(5) 1.0203(12) 0.081(5) Uani 1 1 d . . .
H12F H 2.4610 0.3652 0.9765 0.097 Uiso 1 1 calc R . .
C131 C 1.9552(10) 0.4406(3) 0.7559(10) 0.054(3) Uani 1 1 d . . .
C132 C 1.9108(11) 0.4544(4) 0.8022(13) 0.073(5) Uani 1 1 d . . .
H13B H 1.9453 0.4632 0.8579 0.088 Uiso 1 1 calc R . .
C133 C 1.8170(13) 0.4553(5) 0.7674(14) 0.079(5) Uani 1 1 d . . .
H13C H 1.7886 0.4647 0.7989 0.094 Uiso 1 1 calc R . .
C134 C 1.7668(11) 0.4421(5) 0.6860(15) 0.084(6) Uani 1 1 d . . .
C135 C 1.8079(9) 0.4275(4) 0.6386(12) 0.072(5) Uani 1 1 d . . .
H13D H 1.7726 0.4185 0.5832 0.086 Uiso 1 1 calc R . .
C136 C 1.9040(9) 0.4263(3) 0.6749(10) 0.053(4) Uani 1 1 d . . .
C137 C 1.6670(14) 0.4453(8) 0.652(2) 0.189(16) Uani 1 1 d . . .
H13E H 1.6379 0.4358 0.5939 0.284 Uiso 1 1 calc R . .
H13F H 1.6507 0.4704 0.6511 0.284 Uiso 1 1 calc R . .
H13G H 1.6474 0.4317 0.6877 0.284 Uiso 1 1 calc R . .
C200 C 2.0446(8) 0.3603(3) 0.5181(8) 0.045(3) Uani 1 1 d . . .
H20A H 2.0615 0.3512 0.4747 0.054 Uiso 1 1 calc R . .
H20B H 1.9862 0.3722 0.4877 0.054 Uiso 1 1 calc R . .
C300 C 2.3291(8) 0.4114(4) 0.8718(8) 0.049(3) Uani 1 1 d . . .
H30A H 2.3890 0.4224 0.8983 0.058 Uiso 1 1 calc R . .
H30B H 2.3359 0.3876 0.8514 0.058 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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 S2 86.63(12) . . ?
P4 Pt S1 173.72(12) . . ?
S2 Pt S1 87.09(12) . . ?
P4 Pt P5 97.42(11) . . ?
S2 Pt P5 172.55(12) . . ?
S1 Pt P5 88.80(12) . . ?
P4 Pt Ag2 87.81(8) . . ?
S2 Pt Ag2 58.98(9) . . ?
S1 Pt Ag2 89.12(9) . . ?
P5 Pt Ag2 127.20(9) . . ?
P1 Ag1 P6 138.94(12) . . ?
P1 Ag1 S3 108.46(12) . . ?
P6 Ag1 S3 89.54(12) . . ?
P1 Ag1 S1 107.99(11) . . ?
P6 Ag1 S1 92.24(12) . . ?
S3 Ag1 S1 120.76(11) . . ?
P1 Ag1 Ag2 89.90(9) . . ?
P6 Ag1 Ag2 128.29(9) . . ?
S3 Ag1 Ag2 51.11(8) . . ?
S1 Ag1 Ag2 84.30(8) . . ?
P2 Ag2 P3 130.64(12) . . ?
P2 Ag2 S3 110.57(12) . . ?
P3 Ag2 S3 103.47(12) . . ?
P2 Ag2 S2 101.24(11) . . ?
P3 Ag2 S2 82.90(11) . . ?
S3 Ag2 S2 128.78(11) . . ?
P2 Ag2 Ag1 85.72(9) . . ?
P3 Ag2 Ag1 143.53(9) . . ?
S3 Ag2 Ag1 51.84(8) . . ?
S2 Ag2 Ag1 93.58(8) . . ?
P2 Ag2 Pt 127.60(9) . . ?
P3 Ag2 Pt 88.80(8) . . ?
S3 Ag2 Pt 85.57(9) . . ?
S2 Ag2 Pt 43.37(7) . . ?
Ag1 Ag2 Pt 65.44(3) . . ?
F3 Sb F6 95.5(10) . . ?
F3 Sb F5 88.1(10) . . ?
F6 Sb F5 176.4(10) . . ?
F3 Sb F1 179.4(9) . . ?
F6 Sb F1 84.9(10) . . ?
F5 Sb F1 91.5(10) . . ?
F3 Sb F2 90.0(6) . . ?
F6 Sb F2 89.2(7) . . ?
F5 Sb F2 90.6(6) . . ?
F1 Sb F2 89.6(7) . . ?
F3 Sb F4 89.4(6) . . ?
F6 Sb F4 90.2(7) . . ?
F5 Sb F4 90.0(6) . . ?
F1 Sb F4 91.0(6) . . ?
F2 Sb F4 179.1(6) . . ?
C131 S1 Pt 105.4(5) . . ?
C131 S1 Ag1 107.0(4) . . ?
Pt S1 Ag1 90.68(11) . . ?
C136 S2 Pt 104.9(5) . . ?
C136 S2 Ag2 99.1(5) . . ?
Pt S2 Ag2 77.65(10) . . ?
Ag2 S3 Ag1 77.05(10) . . ?
Ag2 S3 H3A 141.5 . . ?
Ag1 S3 H3A 141.5 . . ?
C21 P1 C11 105.4(6) . . ?
C21 P1 C100 102.6(6) . . ?
C11 P1 C100 104.9(6) . . ?
C21 P1 Ag1 111.6(5) . . ?
C11 P1 Ag1 117.5(5) . . ?
C100 P1 Ag1 113.4(4) . . ?
C41 P2 C31 103.9(6) . . ?
C41 P2 C100 102.1(6) . . ?
C31 P2 C100 103.7(6) . . ?
C41 P2 Ag2 114.5(5) . . ?
C31 P2 Ag2 112.9(4) . . ?
C100 P2 Ag2 118.1(4) . . ?
C51 P3 C61 100.9(7) . . ?
C51 P3 C200 102.6(6) . . ?
C61 P3 C200 104.2(6) . . ?
C51 P3 Ag2 114.6(5) . . ?
C61 P3 Ag2 122.1(5) . . ?
C200 P3 Ag2 110.3(4) . . ?
C71 P4 C81 108.2(6) . . ?
C71 P4 C200 98.9(6) . . ?
C81 P4 C200 101.9(6) . . ?
C71 P4 Pt 114.1(5) . . ?
C81 P4 Pt 116.5(5) . . ?
C200 P4 Pt 115.2(4) . . ?
C101 P5 C300 106.5(6) . . ?
C101 P5 C91 97.9(6) . . ?
C300 P5 C91 104.1(6) . . ?
C101 P5 Pt 111.9(5) . . ?
C300 P5 Pt 116.5(4) . . ?
C91 P5 Pt 117.8(4) . . ?
C111 P6 C300 105.0(6) . . ?
C111 P6 C121 103.0(7) . . ?
C300 P6 C121 104.0(6) . . ?
C111 P6 Ag1 122.2(5) . . ?
C300 P6 Ag1 109.6(4) . . ?
C121 P6 Ag1 111.4(5) . . ?
C02 O01 C04 119(4) . . ?
Cl1 C01 Cl2 103.5(14) . . ?
Cl1 C01 H01A 111.1 . . ?
Cl2 C01 H01A 111.1 . . ?
Cl1 C01 H01B 111.1 . . ?
Cl2 C01 H01B 111.1 . . ?
H01A C01 H01B 109.0 . . ?
O01 C02 C03 108.5(14) . . ?
O01 C02 H02A 110.0 . . ?
C03 C02 H02A 110.0 . . ?
O01 C02 H02B 110.0 . . ?
C03 C02 H02B 110.0 . . ?
H02A C02 H02B 108.4 . . ?
C02 C03 H03A 109.5 . . ?
C02 C03 H03B 109.5 . . ?
H03A C03 H03B 109.5 . . ?
C02 C03 H03C 109.5 . . ?
H03A C03 H03C 109.5 . . ?
H03B C03 H03C 109.5 . . ?
O01 C04 C05 106.2(13) . . ?
O01 C04 H04A 110.5 . . ?
C05 C04 H04A 110.5 . . ?
O01 C04 H04B 110.5 . . ?
C05 C04 H04B 110.5 . . ?
H04A C04 H04B 108.7 . . ?
C04 C05 H05A 109.5 . . ?
C04 C05 H05B 109.5 . . ?
H05A C05 H05B 109.5 . . ?
C04 C05 H05C 109.5 . . ?
H05A C05 H05C 109.5 . . ?
H05B C05 H05C 109.5 . . ?
Cl4 C06 Cl4' 82(4) . . ?
Cl4 C06 Cl3' 97(5) . . ?
Cl4' C06 Cl3' 113.3(5) . . ?
Cl4 C06 Cl3 113.3(5) . . ?
Cl4' C06 Cl3 62(3) . . ?
Cl3' C06 Cl3 58(3) . . ?
C16 C11 C12 118.3(15) . . ?
C16 C11 P1 117.1(12) . . ?
C12 C11 P1 124.6(12) . . ?
C13 C12 C11 119.7(19) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C12 C13 C14 122(2) . . ?
C12 C13 H13A 118.9 . . ?
C14 C13 H13A 118.9 . . ?
C13 C14 C15 119.6(19) . . ?
C13 C14 H14A 120.2 . . ?
C15 C14 H14A 120.2 . . ?
C14 C15 C16 120(2) . . ?
C14 C15 H15A 120.2 . . ?
C16 C15 H15A 120.2 . . ?
C11 C16 C15 120.6(19) . . ?
C11 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C26 C21 C22 118.0(14) . . ?
C26 C21 P1 118.7(11) . . ?
C22 C21 P1 123.2(11) . . ?
C21 C22 C23 120.0(16) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C24 C23 C22 121.5(17) . . ?
C24 C23 H23A 119.3 . . ?
C22 C23 H23A 119.3 . . ?
C25 C24 C23 118.2(16) . . ?
C25 C24 H24A 120.9 . . ?
C23 C24 H24A 120.9 . . ?
C24 C25 C26 120.6(18) . . ?
C24 C25 H25A 119.7 . . ?
C26 C25 H25A 119.7 . . ?
C21 C26 C25 121.6(17) . . ?
C21 C26 H26A 119.2 . . ?
C25 C26 H26A 119.2 . . ?
C32 C31 C36 118.3(15) . . ?
C32 C31 P2 123.2(13) . . ?
C36 C31 P2 118.5(11) . . ?
C31 C32 C33 121.4(19) . . ?
C31 C32 H32A 119.3 . . ?
C33 C32 H32A 119.3 . . ?
C34 C33 C32 119(2) . . ?
C34 C33 H33A 120.3 . . ?
C32 C33 H33A 120.3 . . ?
C35 C34 C33 119.3(19) . . ?
C35 C34 H34A 120.4 . . ?
C33 C34 H34A 120.4 . . ?
C34 C35 C36 121.5(19) . . ?
C34 C35 H35A 119.2 . . ?
C36 C35 H35A 119.2 . . ?
C35 C36 C31 120.1(16) . . ?
C35 C36 H36A 119.9 . . ?
C31 C36 H36A 119.9 . . ?
C42 C41 C46 117.9(13) . . ?
C42 C41 P2 118.8(11) . . ?
C46 C41 P2 123.3(11) . . ?
C41 C42 C43 121.7(16) . . ?
C41 C42 H42A 119.1 . . ?
C43 C42 H42A 119.1 . . ?
C44 C43 C42 118.9(17) . . ?
C44 C43 H43A 120.6 . . ?
C42 C43 H43A 120.6 . . ?
C43 C44 C45 121.5(17) . . ?
C43 C44 H44A 119.3 . . ?
C45 C44 H44A 119.3 . . ?
C44 C45 C46 119.6(16) . . ?
C44 C45 H45A 120.2 . . ?
C46 C45 H45A 120.2 . . ?
C45 C46 C41 120.3(14) . . ?
C45 C46 H46A 119.9 . . ?
C41 C46 H46A 119.9 . . ?
C56 C51 C52 114.9(16) . . ?
C56 C51 P3 119.9(14) . . ?
C52 C51 P3 124.1(12) . . ?
C51 C52 C53 121.9(18) . . ?
C51 C52 H52A 119.1 . . ?
C53 C52 H52A 119.1 . . ?
C54 C53 C52 118(2) . . ?
C54 C53 H53A 121.2 . . ?
C52 C53 H53A 121.2 . . ?
C53 C54 C55 124(2) . . ?
C53 C54 H54A 118.2 . . ?
C55 C54 H54A 118.2 . . ?
C54 C55 C56 116(2) . . ?
C54 C55 H55A 122.0 . . ?
C56 C55 H55A 122.0 . . ?
C51 C56 C55 126(2) . . ?
C51 C56 H56A 117.2 . . ?
C55 C56 H56A 117.2 . . ?
C66 C61 C62 119.9(15) . . ?
C66 C61 P3 117.0(11) . . ?
C62 C61 P3 123.1(12) . . ?
C63 C62 C61 119(2) . . ?
C63 C62 H62A 120.7 . . ?
C61 C62 H62A 120.7 . . ?
C64 C63 C62 123(2) . . ?
C64 C63 H63A 118.5 . . ?
C62 C63 H63A 118.5 . . ?
C63 C64 C65 118.8(18) . . ?
C63 C64 H64A 120.6 . . ?
C65 C64 H64A 120.6 . . ?
C64 C65 C66 120.7(19) . . ?
C64 C65 H65A 119.7 . . ?
C66 C65 H65A 119.7 . . ?
C61 C66 C65 119.0(16) . . ?
C61 C66 H66A 120.5 . . ?
C65 C66 H66A 120.5 . . ?
C72 C71 C76 118.5(13) . . ?
C72 C71 P4 118.8(11) . . ?
C76 C71 P4 122.5(11) . . ?
C71 C72 C73 121.5(14) . . ?
C71 C72 H72A 119.3 . . ?
C73 C72 H72A 119.3 . . ?
C74 C73 C72 120.8(16) . . ?
C74 C73 H73A 119.6 . . ?
C72 C73 H73A 119.6 . . ?
C73 C74 C75 118.2(15) . . ?
C73 C74 H74A 120.9 . . ?
C75 C74 H74A 120.9 . . ?
C76 C75 C74 121.2(16) . . ?
C76 C75 H75A 119.4 . . ?
C74 C75 H75A 119.4 . . ?
C71 C76 C75 119.5(15) . . ?
C71 C76 H76A 120.2 . . ?
C75 C76 H76A 120.2 . . ?
C82 C81 C86 119.5(14) . . ?
C82 C81 P4 117.0(11) . . ?
C86 C81 P4 123.2(12) . . ?
C81 C82 C83 121.1(15) . . ?
C81 C82 H82A 119.4 . . ?
C83 C82 H82A 119.4 . . ?
C84 C83 C82 117.6(18) . . ?
C84 C83 H83A 121.2 . . ?
C82 C83 H83A 121.2 . . ?
C85 C84 C83 123.9(19) . . ?
C85 C84 H84A 118.1 . . ?
C83 C84 H84A 118.1 . . ?
C84 C85 C86 118.8(19) . . ?
C84 C85 H85A 120.6 . . ?
C86 C85 H85A 120.6 . . ?
C81 C86 C85 119.0(17) . . ?
C81 C86 H86A 120.5 . . ?
C85 C86 H86A 120.5 . . ?
C96 C91 C92 120.8(12) . . ?
C96 C91 P5 117.1(11) . . ?
C92 C91 P5 122.1(11) . . ?
C91 C92 C93 118.7(15) . . ?
C91 C92 H92A 120.6 . . ?
C93 C92 H92A 120.6 . . ?
C94 C93 C92 119.9(16) . . ?
C94 C93 H93A 120.0 . . ?
C92 C93 H93A 120.0 . . ?
C93 C94 C95 120.9(16) . . ?
C93 C94 H94A 119.5 . . ?
C95 C94 H94A 119.5 . . ?
C94 C95 C96 119.4(17) . . ?
C94 C95 H95A 120.3 . . ?
C96 C95 H95A 120.3 . . ?
C91 C96 C95 120.2(15) . . ?
C91 C96 H96A 119.9 . . ?
C95 C96 H96A 119.9 . . ?
P2 C100 P1 114.3(6) . . ?
P2 C100 H10A 108.7 . . ?
P1 C100 H10A 108.7 . . ?
P2 C100 H10B 108.7 . . ?
P1 C100 H10B 108.7 . . ?
H10A C100 H10B 107.6 . . ?
C106 C101 C102 117.7(14) . . ?
C106 C101 P5 121.1(11) . . ?
C102 C101 P5 120.8(12) . . ?
C103 C102 C101 121.2(17) . . ?
C103 C102 H10C 119.4 . . ?
C101 C102 H10C 119.4 . . ?
C102 C103 C104 120.3(18) . . ?
C102 C103 H10D 119.9 . . ?
C104 C103 H10D 119.9 . . ?
C105 C104 C103 118.0(18) . . ?
C105 C104 H10E 121.0 . . ?
C103 C104 H10E 121.0 . . ?
C104 C105 C106 121.7(19) . . ?
C104 C105 H10F 119.1 . . ?
C106 C105 H10F 119.1 . . ?
C101 C106 C105 121.1(16) . . ?
C101 C106 H10G 119.5 . . ?
C105 C106 H10G 119.5 . . ?
C112 C111 C116 117.7(14) . . ?
C112 C111 P6 123.8(12) . . ?
C116 C111 P6 118.5(11) . . ?
C113 C112 C111 120.4(17) . . ?
C113 C112 H11A 119.8 . . ?
C111 C112 H11A 119.8 . . ?
C114 C113 C112 121.2(17) . . ?
C114 C113 H11B 119.4 . . ?
C112 C113 H11B 119.4 . . ?
C113 C114 C115 120.3(19) . . ?
C113 C114 H11C 119.9 . . ?
C115 C114 H11C 119.9 . . ?
C114 C115 C116 118.6(19) . . ?
C114 C115 H11D 120.7 . . ?
C116 C115 H11D 120.7 . . ?
C115 C116 C111 121.7(16) . . ?
C115 C116 H11E 119.1 . . ?
C111 C116 H11E 119.1 . . ?
C122 C121 C126 118.4(15) . . ?
C122 C121 P6 116.3(12) . . ?
C126 C121 P6 125.4(12) . . ?
C121 C122 C123 119.8(17) . . ?
C121 C122 H12B 120.1 . . ?
C123 C122 H12B 120.1 . . ?
C124 C123 C122 121.6(18) . . ?
C124 C123 H12C 119.2 . . ?
C122 C123 H12C 119.2 . . ?
C125 C124 C123 117.5(18) . . ?
C125 C124 H12D 121.2 . . ?
C123 C124 H12D 121.2 . . ?
C124 C125 C126 122.9(18) . . ?
C124 C125 H12E 118.5 . . ?
C126 C125 H12E 118.5 . . ?
C121 C126 C125 119.8(17) . . ?
C121 C126 H12F 120.1 . . ?
C125 C126 H12F 120.1 . . ?
C136 C131 C132 118.9(14) . . ?
C136 C131 S1 121.1(11) . . ?
C132 C131 S1 120.0(13) . . ?
C133 C132 C131 121.7(18) . . ?
C133 C132 H13B 119.1 . . ?
C131 C132 H13B 119.1 . . ?
C134 C133 C132 118.8(16) . . ?
C134 C133 H13C 120.6 . . ?
C132 C133 H13C 120.6 . . ?
C133 C134 C135 121.4(15) . . ?
C133 C134 C137 116(2) . . ?
C135 C134 C137 123(2) . . ?
C134 C135 C136 119.5(17) . . ?
C134 C135 H13D 120.3 . . ?
C136 C135 H13D 120.3 . . ?
C131 C136 C135 119.6(14) . . ?
C131 C136 S2 121.1(10) . . ?
C135 C136 S2 119.3(12) . . ?
C134 C137 H13E 109.5 . . ?
C134 C137 H13F 109.5 . . ?
H13E C137 H13F 109.5 . . ?
C134 C137 H13G 109.5 . . ?
H13E C137 H13G 109.5 . . ?
H13F C137 H13G 109.5 . . ?
P4 C200 P3 118.6(7) . . ?
P4 C200 H20A 107.7 . . ?
P3 C200 H20A 107.7 . . ?
P4 C200 H20B 107.7 . . ?
P3 C200 H20B 107.7 . . ?
H20A C200 H20B 107.1 . . ?
P5 C300 P6 120.1(6) . . ?
P5 C300 H30A 107.3 . . ?
P6 C300 H30A 107.3 . . ?
P5 C300 H30B 107.3 . . ?
P6 C300 H30B 107.3 . . ?
H30A C300 H30B 106.9 . . ?
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 2.304(3) . ?
Pt S2 2.310(3) . ?
Pt S1 2.319(3) . ?
Pt P5 2.325(3) . ?
Pt Ag2 3.2865(12) . ?
Ag1 P1 2.417(3) . ?
Ag1 P6 2.467(3) . ?
Ag1 S3 2.632(4) . ?
Ag1 S1 2.648(4) . ?
Ag1 Ag2 3.2629(15) . ?
Ag2 P2 2.480(3) . ?
Ag2 P3 2.497(3) . ?
Ag2 S3 2.606(4) . ?
Ag2 S2 2.883(4) . ?
Sb F3 1.804(13) . ?
Sb F6 1.809(14) . ?
Sb F5 1.815(14) . ?
Sb F1 1.831(14) . ?
Sb F2 1.868(11) . ?
Sb F4 1.881(11) . ?
Cl1 C01 1.763(5) . ?
Cl2 C01 1.764(5) . ?
Cl3 C06 1.766(5) . ?
Cl4 C06 1.765(5) . ?
Cl3' C06 1.765(5) . ?
Cl4' C06 1.765(5) . ?
S1 C131 1.745(14) . ?
S2 C136 1.767(14) . ?
S3 H3A 1.2000 . ?
P1 C21 1.825(13) . ?
P1 C11 1.829(14) . ?
P1 C100 1.839(12) . ?
P2 C41 1.820(13) . ?
P2 C31 1.827(14) . ?
P2 C100 1.833(12) . ?
P3 C51 1.818(15) . ?
P3 C61 1.844(14) . ?
P3 C200 1.844(12) . ?
P4 C71 1.807(13) . ?
P4 C81 1.819(14) . ?
P4 C200 1.835(13) . ?
P5 C101 1.829(13) . ?
P5 C300 1.831(13) . ?
P5 C91 1.838(12) . ?
P6 C111 1.817(15) . ?
P6 C300 1.840(12) . ?
P6 C121 1.845(15) . ?
O01 C02 1.419(5) . ?
O01 C04 1.420(5) . ?
C01 H01A 0.9700 . ?
C01 H01B 0.9700 . ?
C02 C03 1.525(5) . ?
C02 H02A 0.9700 . ?
C02 H02B 0.9700 . ?
C03 H03A 0.9600 . ?
C03 H03B 0.9600 . ?
C03 H03C 0.9600 . ?
C04 C05 1.526(5) . ?
C04 H04A 0.9700 . ?
C04 H04B 0.9700 . ?
C05 H05A 0.9600 . ?
C05 H05B 0.9600 . ?
C05 H05C 0.9600 . ?
C11 C16 1.38(2) . ?
C11 C12 1.40(2) . ?
C12 C13 1.36(2) . ?
C12 H12A 0.9300 . ?
C13 C14 1.36(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.36(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.39(2) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C21 C26 1.36(2) . ?
C21 C22 1.38(2) . ?
C22 C23 1.38(2) . ?
C22 H22A 0.9300 . ?
C23 C24 1.37(2) . ?
C23 H23A 0.9300 . ?
C24 C25 1.35(3) . ?
C24 H24A 0.9300 . ?
C25 C26 1.38(2) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C31 C32 1.34(2) . ?
C31 C36 1.39(2) . ?
C32 C33 1.40(3) . ?
C32 H32A 0.9300 . ?
C33 C34 1.37(3) . ?
C33 H33A 0.9300 . ?
C34 C35 1.34(3) . ?
C34 H34A 0.9300 . ?
C35 C36 1.36(2) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C41 C42 1.36(2) . ?
C41 C46 1.394(19) . ?
C42 C43 1.38(2) . ?
C42 H42A 0.9300 . ?
C43 C44 1.35(2) . ?
C43 H43A 0.9300 . ?
C44 C45 1.35(2) . ?
C44 H44A 0.9300 . ?
C45 C46 1.38(2) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C51 C56 1.34(2) . ?
C51 C52 1.36(2) . ?
C52 C53 1.40(2) . ?
C52 H52A 0.9300 . ?
C53 C54 1.32(3) . ?
C53 H53A 0.9300 . ?
C54 C55 1.33(3) . ?
C54 H54A 0.9300 . ?
C55 C56 1.37(3) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C61 C66 1.38(2) . ?
C61 C62 1.39(2) . ?
C62 C63 1.35(3) . ?
C62 H62A 0.9300 . ?
C63 C64 1.35(3) . ?
C63 H63A 0.9300 . ?
C64 C65 1.37(3) . ?
C64 H64A 0.9300 . ?
C65 C66 1.38(2) . ?
C65 H65A 0.9300 . ?
C66 H66A 0.9300 . ?
C71 C72 1.361(18) . ?
C71 C76 1.374(19) . ?
C72 C73 1.38(2) . ?
C72 H72A 0.9300 . ?
C73 C74 1.34(2) . ?
C73 H73A 0.9300 . ?
C74 C75 1.39(3) . ?
C74 H74A 0.9300 . ?
C75 C76 1.38(2) . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9300 . ?
C81 C82 1.372(18) . ?
C81 C86 1.39(2) . ?
C82 C83 1.40(2) . ?
C82 H82A 0.9300 . ?
C83 C84 1.37(3) . ?
C83 H83A 0.9300 . ?
C84 C85 1.33(3) . ?
C84 H84A 0.9300 . ?
C85 C86 1.43(2) . ?
C85 H85A 0.9300 . ?
C86 H86A 0.9300 . ?
C91 C96 1.351(19) . ?
C91 C92 1.396(19) . ?
C92 C93 1.41(2) . ?
C92 H92A 0.9300 . ?
C93 C94 1.36(2) . ?
C93 H93A 0.9300 . ?
C94 C95 1.38(3) . ?
C94 H94A 0.9300 . ?
C95 C96 1.40(2) . ?
C95 H95A 0.9300 . ?
C96 H96A 0.9300 . ?
C100 H10A 0.9700 . ?
C100 H10B 0.9700 . ?
C101 C106 1.37(2) . ?
C101 C102 1.393(19) . ?
C102 C103 1.38(2) . ?
C102 H10C 0.9300 . ?
C103 C104 1.40(3) . ?
C103 H10D 0.9300 . ?
C104 C105 1.36(3) . ?
C104 H10E 0.9300 . ?
C105 C106 1.38(2) . ?
C105 H10F 0.9300 . ?
C106 H10G 0.9300 . ?
C111 C112 1.384(19) . ?
C111 C116 1.39(2) . ?
C112 C113 1.37(2) . ?
C112 H11A 0.9300 . ?
C113 C114 1.36(3) . ?
C113 H11B 0.9300 . ?
C114 C115 1.38(3) . ?
C114 H11C 0.9300 . ?
C115 C116 1.38(2) . ?
C115 H11D 0.9300 . ?
C116 H11E 0.9300 . ?
C121 C122 1.36(2) . ?
C121 C126 1.37(2) . ?
C122 C123 1.39(2) . ?
C122 H12B 0.9300 . ?
C123 C124 1.36(3) . ?
C123 H12C 0.9300 . ?
C124 C125 1.33(3) . ?
C124 H12D 0.9300 . ?
C125 C126 1.37(2) . ?
C125 H12E 0.9300 . ?
C126 H12F 0.9300 . ?
C131 C136 1.37(2) . ?
C131 C132 1.40(2) . ?
C132 C133 1.38(2) . ?
C132 H13B 0.9300 . ?
C133 C134 1.36(3) . ?
C133 H13C 0.9300 . ?
C134 C135 1.39(2) . ?
C134 C137 1.48(2) . ?
C135 C136 1.415(18) . ?
C135 H13D 0.9300 . ?
C137 H13E 0.9600 . ?
C137 H13F 0.9600 . ?
C137 H13G 0.9600 . ?
C200 H20A 0.9700 . ?
C200 H20B 0.9700 . ?
C300 H30A 0.9700 . ?
C300 H30B 0.9700 . ?
