#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:06:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178635 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/46/4074610.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_4074610
loop_
_publ_author_name
'Yin, Gang-Qiang'
'Wei, Qiao-Hua'
'Zhang, Li-Yi'
'Chen, Zhong-Ning'
_publ_section_title
;
 Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl
 Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with
 [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              580
_journal_paper_doi               10.1021/om050620e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C64 H66 Ag Cl4 F6 P4 Pt Sb'
_chemical_formula_weight         1639.56
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 107.0450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.5886(4)
_cell_length_b                   15.4091(3)
_cell_length_c                   21.9684(3)
_cell_measurement_reflns_used    7720
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      .97
_cell_volume                     13783.5(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 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21955
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         0.97
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.996
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .6832
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6464
_exptl_crystal_size_max          .62
_exptl_crystal_size_mid          .44
_exptl_crystal_size_min          .40
_refine_diff_density_max         1.473
_refine_diff_density_min         -1.572
_refine_diff_density_rms         0.301
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     781
_refine_ls_number_reflns         12499
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.1075
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0786P)²+146.8558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1514
_refine_ls_wR_factor_ref         0.1890
_reflns_number_gt                8584
_reflns_number_total             12499
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050620esi20051124_094200.cif
_cod_data_source_block           Compoumd_5
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4074610
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.640372(13) 0.5000 0.30368(2) 0.03927(17) Uani 1 2 d S . .
Pt2 Pt 0.369128(13) 0.0000 0.20527(2) 0.03823(17) Uani 1 2 d S . .
Ag1 Ag 0.61770(3) 0.5000 0.16179(5) 0.0393(3) Uani 1 2 d S . .
Ag2 Ag 0.37406(3) 0.0000 0.34197(6) 0.0516(3) Uani 1 2 d S . .
Sb1 Sb 0.06784(5) 0.0000 -0.28430(10) 0.1049(6) Uani 1 2 d S . .
Sb2 Sb 0.31293(5) 0.0000 -0.23342(8) 0.1037(5) Uani 1 2 d S . .
C01 C 0.3480(10) 0.0000 0.5807(15) 0.178(15) Uani 1 2 d S . .
H01A H 0.3387 0.0506 0.5952 0.214 Uiso 0.50 1 calc PR . .
H01B H 0.3387 -0.0506 0.5952 0.214 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.3346(2) 0.0000 0.4974(5) 0.156(3) Uani 1 2 d S . .
Cl2 Cl 0.3871(3) 0.0000 0.6160(6) 0.205(5) Uani 1 2 d S . .
C02 C 0.2080(7) 0.0000 -0.5331(14) 0.166(14) Uani 1 2 d S . .
H02A H 0.1942 0.0508 -0.5459 0.199 Uiso 0.50 1 calc PR . .
H02B H 0.1942 -0.0508 -0.5459 0.199 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.2226(3) 0.0000 -0.4562(5) 0.209(5) Uani 1 2 d S . .
Cl4 Cl 0.2364(4) 0.0000 -0.5725(6) 0.228(5) Uani 1 2 d S . .
C03 C 0.4601(6) 1.0000 0.1278(12) 0.119(9) Uani 1 2 d S . .
H03A H 0.4487 1.0509 0.1366 0.143 Uiso 0.50 1 calc PR . .
H03B H 0.4487 0.9491 0.1366 0.143 Uiso 0.50 1 calc PR . .
Cl5 Cl 0.45870(18) 1.0000 0.0476(3) 0.122(2) Uani 1 2 d S . .
Cl6 Cl 0.4985(2) 1.0000 0.1755(4) 0.187(4) Uani 1 2 d S . .
C04 C 0.5486(12) 0.5000 -0.100(2) 0.21(2) Uani 1 2 d S . .
H04A H 0.5579 0.4486 -0.1129 0.256 Uiso 0.50 1 calc PR . .
H04B H 0.5579 0.5514 -0.1129 0.256 Uiso 0.50 1 calc PR . .
Cl7 Cl 0.5027(4) 0.5000 -0.1294(8) 0.305(9) Uani 1 2 d S . .
Cl8 Cl 0.5531(5) 0.5000 -0.0248(8) 0.339(10) Uani 1 2 d S . .
P1 P 0.62188(7) 0.34591(18) 0.15286(12) 0.0438(6) Uani 1 1 d . . .
P2 P 0.63641(6) 0.35067(17) 0.29819(12) 0.0399(6) Uani 1 1 d . . .
P3 P 0.37751(7) -0.15624(17) 0.34855(12) 0.0432(6) Uani 1 1 d . . .
P4 P 0.37294(6) -0.14903(17) 0.20626(12) 0.0395(6) Uani 1 1 d . . .
F11 F 0.0460(7) 0.0000 -0.3623(13) 0.271(13) Uani 1 2 d S . .
F12 F 0.0920(7) 0.0000 -0.1992(15) 0.273(13) Uiso 1 2 d S . .
F13 F 0.0928(6) 0.0844(12) -0.2934(10) 0.338(14) Uani 1 1 d . . .
F14 F 0.0394(6) 0.0721(18) -0.2688(14) 0.44(2) Uani 1 1 d . . .
F21 F 0.3390(7) 0.0000 -0.1524(15) 0.279(13) Uiso 1 2 d S . .
F22 F 0.2854(8) 0.0000 -0.3108(10) 0.296(17) Uani 1 2 d S . .
F23 F 0.2896(5) 0.0811(16) -0.2107(11) 0.368(15) Uani 1 1 d . . .
F24 F 0.3409(5) 0.0805(10) -0.2491(10) 0.268(9) Uani 1 1 d . . .
C1 C 0.6472(2) 0.3048(6) 0.2304(4) 0.044(2) Uani 1 1 d . . .
H1A H 0.6449 0.2422 0.2311 0.053 Uiso 1 1 calc R . .
H1B H 0.6700 0.3176 0.2349 0.053 Uiso 1 1 calc R . .
C2 C 0.3943(2) -0.1936(6) 0.2847(4) 0.042(2) Uani 1 1 d . . .
H2A H 0.4173 -0.1774 0.2955 0.050 Uiso 1 1 calc R . .
H2B H 0.3931 -0.2564 0.2825 0.050 Uiso 1 1 calc R . .
C11 C 0.6715(4) 0.5000 0.2492(7) 0.050(4) Uani 1 2 d S . .
C12 C 0.6952(4) 0.5000 0.2304(7) 0.049(4) Uani 1 2 d S A .
C13 C 0.7255(4) 0.5000 0.2104(8) 0.068(5) Uani 1 2 d SD . .
C14 C 0.7259(8) 0.4187(11) 0.1692(10) 0.130(16) Uiso 0.56(4) 1 d PD A 1
C15 C 0.7567(7) 0.5000 0.2678(13) 0.077(12) Uiso 0.56(4) 2 d SPD A 1
C14' C 0.7445(9) 0.4184(11) 0.2414(13) 0.18(3) Uiso 0.44(4) 1 d PD A 2
C15' C 0.7217(10) 0.5000 0.1389(13) 0.074(15) Uiso 0.44(4) 2 d SPD A 2
C21 C 0.6188(4) 0.5000 0.3745(8) 0.058(4) Uani 1 2 d S . .
C22 C 0.6102(4) 0.5000 0.4217(7) 0.050(4) Uani 1 2 d S . .
C23 C 0.5992(5) 0.5000 0.4770(9) 0.068(5) Uani 1 2 d S . .
C24 C 0.6128(4) 0.4199(11) 0.5194(7) 0.102(5) Uani 1 1 d . . .
H24A H 0.6050 0.3678 0.4958 0.154 Uiso 1 1 calc R . .
H24B H 0.6053 0.4215 0.5566 0.154 Uiso 1 1 calc R . .
H24C H 0.6364 0.4209 0.5319 0.154 Uiso 1 1 calc R . .
C25 C 0.5620(5) 0.5000 0.4585(11) 0.098(7) Uani 1 2 d S . .
H25A H 0.5537 0.5509 0.4338 0.146 Uiso 0.50 1 calc PR . .
H25B H 0.5550 0.5000 0.4963 0.146 Uiso 1 2 calc SR . .
H25C H 0.5537 0.4491 0.4338 0.146 Uiso 0.50 1 calc PR . .
C31 C 0.6460(3) 0.3214(7) 0.0989(5) 0.049(3) Uani 1 1 d . . .
C32 C 0.6409(3) 0.3708(9) 0.0441(5) 0.069(3) Uani 1 1 d . . .
H32A H 0.6254 0.4149 0.0359 0.083 Uiso 1 1 calc R . .
C33 C 0.6589(4) 0.3554(11) 0.0008(7) 0.095(5) Uani 1 1 d . . .
H33A H 0.6552 0.3895 -0.0355 0.114 Uiso 1 1 calc R . .
C34 C 0.6811(4) 0.2927(12) 0.0116(8) 0.092(5) Uani 1 1 d . . .
H34A H 0.6929 0.2832 -0.0174 0.111 Uiso 1 1 calc R . .
C35 C 0.6870(3) 0.2410(11) 0.0651(8) 0.089(5) Uani 1 1 d . . .
H35A H 0.7027 0.1972 0.0721 0.106 Uiso 1 1 calc R . .
C36 C 0.6693(3) 0.2549(9) 0.1087(6) 0.071(3) Uani 1 1 d . . .
H36A H 0.6731 0.2196 0.1445 0.085 Uiso 1 1 calc R . .
C41 C 0.5865(3) 0.2748(8) 0.1269(5) 0.058(3) Uani 1 1 d . . .
C42 C 0.5558(3) 0.3103(12) 0.1082(6) 0.093(5) Uani 1 1 d . . .
H42A H 0.5533 0.3702 0.1096 0.112 Uiso 1 1 calc R . .
C43 C 0.5279(4) 0.2561(19) 0.0867(9) 0.136(9) Uani 1 1 d . . .
H43A H 0.5070 0.2809 0.0745 0.163 Uiso 1 1 calc R . .
C44 C 0.5309(7) 0.1726(19) 0.0837(10) 0.145(12) Uani 1 1 d . . .
H44A H 0.5123 0.1379 0.0690 0.174 Uiso 1 1 calc R . .
C45 C 0.5610(6) 0.1360(14) 0.1020(9) 0.135(9) Uani 1 1 d . . .
H45A H 0.5629 0.0762 0.0992 0.162 Uiso 1 1 calc R . .
C46 C 0.5895(4) 0.1863(10) 0.1250(7) 0.098(5) Uani 1 1 d . . .
H46A H 0.6101 0.1601 0.1388 0.117 Uiso 1 1 calc R . .
C51 C 0.6628(3) 0.2924(7) 0.3661(4) 0.045(2) Uani 1 1 d . . .
C52 C 0.6541(3) 0.2930(9) 0.4220(6) 0.074(4) Uani 1 1 d . . .
H52A H 0.6348 0.3201 0.4233 0.089 Uiso 1 1 calc R . .
C53 C 0.6742(4) 0.2533(10) 0.4764(6) 0.085(4) Uani 1 1 d . . .
H53A H 0.6686 0.2552 0.5143 0.102 Uiso 1 1 calc R . .
C54 C 0.7020(4) 0.2119(10) 0.4741(6) 0.084(4) Uani 1 1 d . . .
H54A H 0.7152 0.1843 0.5102 0.101 Uiso 1 1 calc R . .
C55 C 0.7103(3) 0.2106(11) 0.4200(7) 0.087(5) Uani 1 1 d . . .
H55A H 0.7296 0.1829 0.4191 0.104 Uiso 1 1 calc R . .
C56 C 0.6906(3) 0.2500(10) 0.3649(6) 0.080(4) Uani 1 1 d . . .
H56A H 0.6965 0.2474 0.3274 0.096 Uiso 1 1 calc R . .
C61 C 0.5950(2) 0.3072(7) 0.2891(5) 0.045(2) Uani 1 1 d . . .
C62 C 0.5688(3) 0.3615(9) 0.2805(6) 0.068(3) Uani 1 1 d . . .
H62A H 0.5717 0.4214 0.2806 0.082 Uiso 1 1 calc R . .
C63 C 0.5370(3) 0.3259(12) 0.2715(7) 0.086(4) Uani 1 1 d . . .
H63A H 0.5191 0.3621 0.2676 0.104 Uiso 1 1 calc R . .
C64 C 0.5332(4) 0.2400(12) 0.2686(7) 0.094(5) Uani 1 1 d . . .
H64A H 0.5122 0.2170 0.2601 0.113 Uiso 1 1 calc R . .
C65 C 0.5589(4) 0.1857(11) 0.2777(7) 0.091(5) Uani 1 1 d . . .
H65A H 0.5556 0.1261 0.2775 0.110 Uiso 1 1 calc R . .
C66 C 0.5904(3) 0.2184(8) 0.2872(6) 0.076(4) Uani 1 1 d . . .
H66A H 0.6082 0.1811 0.2922 0.091 Uiso 1 1 calc R . .
C111 C 0.4143(4) 0.0000 0.2698(7) 0.045(3) Uani 1 2 d S . .
C112 C 0.4416(3) 0.0000 0.3081(6) 0.041(3) Uani 1 2 d S B .
C113 C 0.4745(4) 0.0000 0.3549(7) 0.072(5) Uani 1 2 d SD . .
C114 C 0.4929(5) 0.0832(10) 0.3446(9) 0.102(8) Uiso 0.81(3) 1 d PD B 1
C115 C 0.4697(8) 0.0000 0.4226(12) 0.120(13) Uiso 0.81(3) 2 d SPD B 1
C14" C 0.4816(19) 0.0811(19) 0.3992(18) 0.09(3) Uiso 0.19(3) 1 d PD B 2
C15" C 0.501(2) 0.0000 0.318(6) 0.12(5) Uiso 0.19(3) 2 d SPD B 2
C121 C 0.3276(4) 0.0000 0.1322(7) 0.050(4) Uani 1 2 d S . .
C122 C 0.3059(4) 0.0000 0.0840(7) 0.057(4) Uani 1 2 d S . .
C123 C 0.2797(4) 0.0000 0.0214(7) 0.068(5) Uani 1 2 d S . .
C124 C 0.2588(4) -0.0833(13) 0.0149(7) 0.127(7) Uani 1 1 d . . .
H12A H 0.2728 -0.1332 0.0190 0.191 Uiso 1 1 calc R . .
H12B H 0.2427 -0.0841 -0.0261 0.191 Uiso 1 1 calc R . .
H12C H 0.2481 -0.0844 0.0476 0.191 Uiso 1 1 calc R . .
C125 C 0.2965(6) 0.0000 -0.0300(10) 0.104(8) Uani 1 2 d S . .
H12G H 0.3100 -0.0508 -0.0259 0.156 Uiso 0.50 1 calc PR . .
H12H H 0.3100 0.0509 -0.0260 0.156 Uiso 0.50 1 calc PR . .
H12I H 0.2803 -0.0001 -0.0710 0.156 Uiso 1 2 calc SR . .
C131 C 0.3416(2) -0.2223(7) 0.3439(5) 0.049(3) Uani 1 1 d . . .
C132 C 0.3140(3) -0.1809(9) 0.3505(5) 0.066(3) Uani 1 1 d . . .
H13A H 0.3140 -0.1211 0.3560 0.079 Uiso 1 1 calc R . .
C133 C 0.2861(3) -0.2296(12) 0.3488(7) 0.085(4) Uani 1 1 d . . .
H13B H 0.2680 -0.2023 0.3557 0.101 Uiso 1 1 calc R . .
C134 C 0.2852(4) -0.3161(13) 0.3373(7) 0.092(5) Uani 1 1 d . . .
H13C H 0.2661 -0.3473 0.3336 0.111 Uiso 1 1 calc R . .
C135 C 0.3119(4) -0.3566(10) 0.3311(7) 0.093(5) Uani 1 1 d . . .
H13D H 0.3114 -0.4164 0.3255 0.111 Uiso 1 1 calc R . .
C136 C 0.3407(3) -0.3108(8) 0.3330(6) 0.074(4) Uani 1 1 d . . .
H13E H 0.3588 -0.3394 0.3271 0.088 Uiso 1 1 calc R . .
C141 C 0.4080(2) -0.1955(7) 0.4208(5) 0.048(3) Uani 1 1 d . . .
C142 C 0.4322(3) -0.2563(9) 0.4208(6) 0.073(4) Uani 1 1 d . . .
H14A H 0.4335 -0.2805 0.3829 0.088 Uiso 1 1 calc R . .
C143 C 0.4544(3) -0.2800(11) 0.4786(8) 0.093(5) Uani 1 1 d . . .
H14B H 0.4706 -0.3206 0.4793 0.112 Uiso 1 1 calc R . .
C144 C 0.4525(4) -0.2440(12) 0.5351(8) 0.107(6) Uani 1 1 d . . .
H14C H 0.4676 -0.2605 0.5733 0.129 Uiso 1 1 calc R . .
C145 C 0.4289(4) -0.1847(12) 0.5357(7) 0.100(5) Uani 1 1 d . . .
H14D H 0.4278 -0.1612 0.5740 0.120 Uiso 1 1 calc R . .
C146 C 0.4069(4) -0.1598(9) 0.4795(6) 0.079(4) Uani 1 1 d . . .
H14E H 0.3910 -0.1188 0.4799 0.095 Uiso 1 1 calc R . .
C151 C 0.3371(3) -0.2202(7) 0.1809(5) 0.047(3) Uani 1 1 d . . .
C152 C 0.3061(3) -0.1937(9) 0.1777(6) 0.067(3) Uani 1 1 d . . .
H15A H 0.3020 -0.1354 0.1834 0.081 Uiso 1 1 calc R . .
C153 C 0.2806(4) -0.2529(13) 0.1660(8) 0.100(5) Uani 1 1 d . . .
H15B H 0.2596 -0.2343 0.1642 0.120 Uiso 1 1 calc R . .
C154 C 0.2860(4) -0.3374(12) 0.1572(7) 0.093(5) Uani 1 1 d . . .
H15C H 0.2689 -0.3771 0.1510 0.112 Uiso 1 1 calc R . .
C155 C 0.3164(5) -0.3650(10) 0.1573(7) 0.093(5) Uani 1 1 d . . .
H15D H 0.3198 -0.4229 0.1492 0.111 Uiso 1 1 calc R . .
C156 C 0.3422(3) -0.3068(7) 0.1696(6) 0.068(3) Uani 1 1 d . . .
H15E H 0.3630 -0.3258 0.1702 0.082 Uiso 1 1 calc R . .
C161 C 0.3976(3) -0.1810(7) 0.1542(5) 0.049(3) Uani 1 1 d . . .
C162 C 0.4260(3) -0.2283(9) 0.1740(6) 0.073(4) Uani 1 1 d . . .
H16A H 0.4340 -0.2463 0.2161 0.088 Uiso 1 1 calc R . .
C163 C 0.4428(4) -0.2493(11) 0.1309(9) 0.098(5) Uani 1 1 d . . .
H16B H 0.4625 -0.2795 0.1443 0.118 Uiso 1 1 calc R . .
C164 C 0.4306(4) -0.2260(10) 0.0699(8) 0.087(5) Uani 1 1 d . . .
H16C H 0.4416 -0.2426 0.0409 0.104 Uiso 1 1 calc R . .
C165 C 0.4027(4) -0.1788(10) 0.0492(6) 0.081(4) Uani 1 1 d . . .
H16D H 0.3950 -0.1617 0.0068 0.097 Uiso 1 1 calc R . .
C166 C 0.3857(3) -0.1561(9) 0.0918(5) 0.065(3) Uani 1 1 d . . .
H16E H 0.3664 -0.1243 0.0781 0.078 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'
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'
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
C21 Pt1 C11 167.1(6) . .
C21 Pt1 P2 89.85(7) . .
C11 Pt1 P2 91.13(7) . .
C21 Pt1 P2 89.85(7) . 6_565
C11 Pt1 P2 91.13(7) . 6_565
P2 Pt1 P2 171.24(13) . 6_565
C21 Pt1 Ag1 136.2(5) . .
C11 Pt1 Ag1 56.7(4) . .
P2 Pt1 Ag1 87.08(6) . .
P2 Pt1 Ag1 87.08(6) 6_565 .
C121 Pt2 C111 172.2(6) . .
C121 Pt2 P4 92.90(7) . 6
C111 Pt2 P4 86.77(7) . 6
C121 Pt2 P4 92.90(7) . .
C111 Pt2 P4 86.77(7) . .
P4 Pt2 P4 172.17(13) 6 .
C121 Pt2 Ag2 126.6(5) . .
C111 Pt2 Ag2 61.2(4) . .
P4 Pt2 Ag2 90.37(6) 6 .
P4 Pt2 Ag2 90.37(6) . .
P1 Ag1 P1 165.54(14) 6_565 .
P1 Ag1 C11 89.40(8) 6_565 .
P1 Ag1 C11 89.40(8) . .
P1 Ag1 Pt1 94.40(7) 6_565 .
P1 Ag1 Pt1 94.40(7) . .
C11 Ag1 Pt1 42.3(4) . .
P3 Ag2 P3 171.76(14) 6 .
P3 Ag2 C111 89.84(7) 6 .
P3 Ag2 C111 89.84(7) . .
P3 Ag2 Pt2 92.64(7) 6 .
P3 Ag2 Pt2 92.64(7) . .
C111 Ag2 Pt2 42.0(3) . .
F11 Sb1 F13 93.3(10) . 6
F11 Sb1 F13 93.3(10) . .
F13 Sb1 F13 97.6(19) 6 .
F11 Sb1 F14 89.4(12) . .
F13 Sb1 F14 170.2(15) 6 .
F13 Sb1 F14 91.7(13) . .
F11 Sb1 F14 89.4(12) . 6
F13 Sb1 F14 91.7(13) 6 6
F13 Sb1 F14 170.2(15) . 6
F14 Sb1 F14 79(2) . 6
F11 Sb1 F12 179.7(14) . .
F13 Sb1 F12 86.5(9) 6 .
F13 Sb1 F12 86.5(9) . .
F14 Sb1 F12 90.8(12) . .
F14 Sb1 F12 90.8(12) 6 .
F23 Sb2 F23 91(2) . 6
F23 Sb2 F22 90.2(11) . .
F23 Sb2 F22 90.2(11) 6 .
F23 Sb2 F21 87.4(10) . .
F23 Sb2 F21 87.4(10) 6 .
F22 Sb2 F21 176.6(15) . .
F23 Sb2 F24 173.5(9) . 6
F23 Sb2 F24 91.4(11) 6 6
F22 Sb2 F24 95.9(11) . 6
F21 Sb2 F24 86.5(9) . 6
F23 Sb2 F24 91.4(11) . .
F23 Sb2 F24 173.5(9) 6 .
F22 Sb2 F24 95.9(11) . .
F21 Sb2 F24 86.5(9) . .
F24 Sb2 F24 85.9(13) 6 .
Cl2 C01 Cl1 118(2) . .
Cl3 C02 Cl4 115.1(18) . .
Cl6 C03 Cl5 111.8(15) . .
Cl8 C04 Cl7 99(2) . .
C41 P1 C31 104.2(5) . .
C41 P1 C1 106.8(5) . .
C31 P1 C1 104.0(5) . .
C41 P1 Ag1 123.4(5) . .
C31 P1 Ag1 109.2(3) . .
C1 P1 Ag1 107.6(3) . .
C51 P2 C1 103.6(5) . .
C51 P2 C61 104.5(5) . .
C1 P2 C61 103.5(5) . .
C51 P2 Pt1 115.6(3) . .
C1 P2 Pt1 113.4(3) . .
C61 P2 Pt1 114.9(4) . .
C131 P3 C141 103.5(5) . .
C131 P3 C2 106.9(5) . .
C141 P3 C2 102.8(5) . .
C131 P3 Ag2 121.4(4) . .
C141 P3 Ag2 113.3(4) . .
C2 P3 Ag2 107.2(3) . .
C151 P4 C2 101.7(5) . .
C151 P4 C161 103.2(5) . .
C2 P4 C161 105.6(5) . .
C151 P4 Pt2 123.1(4) . .
C2 P4 Pt2 113.4(3) . .
C161 P4 Pt2 108.3(4) . .
P2 C1 P1 113.8(5) . .
P4 C2 P3 113.7(5) . .
C12 C11 Pt1 165.0(13) . .
C12 C11 Ag1 114.0(12) . .
Pt1 C11 Ag1 81.0(5) . .
C11 C12 C13 177.3(16) . .
C12 C13 C15' 117.7(19) . .
C12 C13 C15 112.0(18) . .
C15' C13 C15 130(2) . .
C12 C13 C14' 105.0(19) . 6_565
C15' C13 C14' 109.8(13) . 6_565
C15 C13 C14' 54.8(7) . 6_565
C12 C13 C14' 105.0(19) . .
C15' C13 C14' 109.8(13) . .
C15 C13 C14' 54.8(7) . .
C14' C13 C14' 109.3(16) 6_565 .
C12 C13 C14 109.4(14) . .
C15' C13 C14 54.4(7) . .
C15 C13 C14 109.0(12) . .
C14' C13 C14 146(3) 6_565 .
C14' C13 C14 60.3(10) . .
C12 C13 C14 109.4(14) . 6_565
C15' C13 C14 54.4(7) . 6_565
C15 C13 C14 109.0(12) . 6_565
C14' C13 C14 60.3(10) 6_565 6_565
C14' C13 C14 146(3) . 6_565
C14 C13 C14 108.2(14) . 6_565
C22 C21 Pt1 171.3(15) . .
C21 C22 C23 178.7(18) . .
C22 C23 C25 110.5(17) . .
C22 C23 C24 110.8(10) . 6_565
C25 C23 C24 109.6(11) . 6_565
C22 C23 C24 110.8(10) . .
C25 C23 C24 109.6(11) . .
C24 C23 C24 105.3(17) 6_565 .
C32 C31 C36 117.3(11) . .
C32 C31 P1 118.5(9) . .
C36 C31 P1 124.1(9) . .
C31 C32 C33 121.2(14) . .
C34 C33 C32 120.3(15) . .
C33 C34 C35 121.1(14) . .
C34 C35 C36 119.6(14) . .
C35 C36 C31 120.5(13) . .
C42 C41 C46 118.7(13) . .
C42 C41 P1 119.0(11) . .
C46 C41 P1 122.3(11) . .
C41 C42 C43 120.0(18) . .
C44 C43 C42 121(2) . .
C43 C44 C45 120(2) . .
C44 C45 C46 122(2) . .
C41 C46 C45 118.7(18) . .
C56 C51 C52 118.9(10) . .
C56 C51 P2 123.6(8) . .
C52 C51 P2 117.5(9) . .
C51 C52 C53 120.1(12) . .
C54 C53 C52 119.9(12) . .
C55 C54 C53 120.1(12) . .
C54 C55 C56 121.0(13) . .
C51 C56 C55 120.0(12) . .
C62 C61 C66 120.2(11) . .
C62 C61 P2 120.7(8) . .
C66 C61 P2 118.9(9) . .
C61 C62 C63 119.3(13) . .
C64 C63 C62 119.3(15) . .
C63 C64 C65 121.7(14) . .
C64 C65 C66 120.3(14) . .
C61 C66 C65 118.9(14) . .
C112 C111 Pt2 179.3(12) . .
C112 C111 Ag2 103.9(10) . .
Pt2 C111 Ag2 76.8(4) . .
C111 C112 C113 179.5(15) . .
C112 C113 C114 108.4(11) . .
C112 C113 C114 108.4(11) . 6
C114 C113 C114 111.2(12) . 6
C112 C113 C14" 114(3) . .
C114 C113 C14" 54.2(16) . .
C114 C113 C14" 138(3) 6 .
C112 C113 C14" 114(3) . 6
C114 C113 C14" 138(3) . 6
C114 C113 C14" 54.2(16) 6 6
C14" C113 C14" 107(3) . 6
C112 C113 C115 107.5(17) . .
C114 C113 C115 110.6(9) . .
C114 C113 C115 110.6(9) 6 .
C14" C113 C115 57.4(13) . .
C14" C113 C115 57.4(13) 6 .
C112 C113 C15" 109(5) . .
C114 C113 C15" 56.9(10) . .
C114 C113 C15" 56.9(10) 6 .
C14" C113 C15" 106(3) . .
C14" C113 C15" 106(3) 6 .
C115 C113 C15" 144(5) . .
C122 C121 Pt2 170.9(15) . .
C121 C122 C123 177.2(19) . .
C122 C123 C125 107.5(15) . .
C122 C123 C124 109.8(9) . .
C125 C123 C124 108.6(10) . .
C122 C123 C124 109.8(9) . 6
C125 C123 C124 108.6(10) . 6
C124 C123 C124 112.4(18) . 6
C132 C131 C136 119.5(11) . .
C132 C131 P3 117.6(9) . .
C136 C131 P3 122.9(10) . .
C131 C132 C133 119.5(13) . .
C134 C133 C132 120.7(15) . .
C135 C134 C133 120.0(15) . .
C134 C135 C136 121.5(15) . .
C131 C136 C135 118.7(13) . .
C142 C141 C146 118.9(11) . .
C142 C141 P3 123.9(9) . .
C146 C141 P3 117.2(9) . .
C143 C142 C141 118.7(14) . .
C144 C143 C142 120.8(15) . .
C145 C144 C143 121.0(14) . .
C144 C145 C146 119.4(16) . .
C145 C146 C141 121.2(14) . .
C152 C151 C156 118.6(11) . .
C152 C151 P4 123.0(9) . .
C156 C151 P4 118.1(9) . .
C151 C152 C153 120.4(14) . .
C154 C153 C152 120.6(16) . .
C153 C154 C155 120.2(14) . .
C154 C155 C156 120.0(14) . .
C155 C156 C151 120.1(13) . .
C162 C161 C166 119.8(10) . .
C162 C161 P4 124.1(9) . .
C166 C161 P4 116.1(8) . .
C161 C162 C163 119.7(13) . .
C164 C163 C162 119.8(14) . .
C163 C164 C165 121.7(13) . .
C164 C165 C166 119.4(13) . .
C161 C166 C165 119.6(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C21 2.025(17) .
Pt1 C11 2.030(16) .
Pt1 P2 2.308(3) .
Pt1 P2 2.308(3) 6_565
Pt1 Ag1 2.9805(11) .
Pt2 C121 2.009(14) .
Pt2 C111 2.028(15) .
Pt2 P4 2.302(3) 6
Pt2 P4 2.302(3) .
Pt2 Ag2 2.9484(13) .
Ag1 P1 2.393(3) 6_565
Ag1 P1 2.393(3) .
Ag1 C11 2.523(15) .
Ag2 P3 2.414(3) 6
Ag2 P3 2.414(3) .
Ag2 C111 2.654(14) .
Sb1 F11 1.69(2) .
Sb1 F13 1.728(14) 6
Sb1 F13 1.728(14) .
Sb1 F14 1.751(17) .
Sb1 F14 1.751(17) 6
Sb1 F12 1.85(3) .
Sb2 F23 1.757(16) .
Sb2 F23 1.757(16) 6
Sb2 F22 1.759(18) .
Sb2 F21 1.80(3) .
Sb2 F24 1.820(15) 6
Sb2 F24 1.820(15) .
C01 Cl2 1.62(4) .
C01 Cl1 1.75(3) .
C02 Cl3 1.62(3) .
C02 Cl4 1.68(3) .
C03 Cl6 1.66(3) .
C03 Cl5 1.74(3) .
C04 Cl8 1.60(4) .
C04 Cl7 1.87(5) .
P1 C41 1.814(11) .
P1 C31 1.822(11) .
P1 C1 1.840(9) .
P2 C51 1.820(10) .
P2 C1 1.824(10) .
P2 C61 1.844(10) .
P3 C131 1.815(10) .
P3 C141 1.834(10) .
P3 C2 1.844(9) .
P4 C151 1.827(10) .
P4 C2 1.831(9) .
P4 C161 1.831(10) .
C11 C12 1.20(2) .
C12 C13 1.48(2) .
C13 C15' 1.53(2) .
C13 C15 1.54(2) .
C13 C14' 1.54(2) 6_565
C13 C14' 1.54(2) .
C13 C14 1.55(2) .
C13 C14 1.55(2) 6_565
C21 C22 1.20(2) .
C22 C23 1.42(2) .
C23 C25 1.52(3) .
C23 C24 1.552(18) 6_565
C23 C24 1.552(18) .
C31 C32 1.385(15) .
C31 C36 1.400(16) .
C32 C33 1.405(17) .
C33 C34 1.32(2) .
C34 C35 1.38(2) .
C35 C36 1.398(18) .
C41 C42 1.364(18) .
C41 C46 1.371(19) .
C42 C43 1.42(2) .
C43 C44 1.30(3) .
C44 C45 1.35(3) .
C45 C46 1.40(2) .
C51 C56 1.360(16) .
C51 C52 1.383(15) .
C52 C53 1.391(16) .
C53 C54 1.358(18) .
C54 C55 1.337(18) .
C55 C56 1.393(17) .
C61 C62 1.362(15) .
C61 C66 1.381(16) .
C62 C63 1.418(17) .
C63 C64 1.33(2) .
C64 C65 1.35(2) .
C65 C66 1.389(18) .
C111 C112 1.220(19) .
C112 C113 1.47(2) .
C113 C114 1.553(18) .
C113 C114 1.553(18) 6
C113 C14" 1.56(2) .
C113 C14" 1.56(2) 6
C113 C115 1.56(2) .
C113 C15" 1.56(2) .
C121 C122 1.184(19) .
C122 C123 1.50(2) .
C123 C125 1.50(3) .
C123 C124 1.545(18) .
C123 C124 1.545(18) 6
C131 C132 1.382(15) .
C131 C136 1.382(16) .
C132 C133 1.395(18) .
C133 C134 1.36(2) .
C134 C135 1.34(2) .
C135 C136 1.404(18) .
C141 C142 1.394(16) .
C141 C146 1.415(16) .
C142 C143 1.391(17) .
C143 C144 1.38(2) .
C144 C145 1.36(2) .
C145 C146 1.368(19) .
C151 C152 1.366(15) .
C151 C156 1.386(15) .
C152 C153 1.383(18) .
C153 C154 1.35(2) .
C154 C155 1.36(2) .
C155 C156 1.384(17) .
C161 C162 1.370(16) .
C161 C166 1.371(15) .
C162 C163 1.382(18) .
C163 C164 1.34(2) .
C164 C165 1.353(19) .
C165 C166 1.384(16) .
