#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:34:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179067 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302914.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_4302914
loop_
_publ_author_name
'Ester Alonso'
'Juan Forniés'
'Consuelo Fortuño'
'Agustí Lledós'
'Antonio Martín'
'Ainara Nova'
_publ_section_title
;
Behavior of P-Pt and P-Pd Bonds in Phosphido Complexes toward
Electrophilic Fragments
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7679
_journal_page_last               7690
_journal_paper_doi               10.1021/ic900415m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C76 H58 Ag Cl9 F10 O4 P4 Pd Pt'
_chemical_formula_weight         2077.51
_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                91.6900(10)
_cell_angle_beta                 99.2390(10)
_cell_angle_gamma                99.9830(10)
_cell_formula_units_Z            2
_cell_length_a                   13.4884(6)
_cell_length_b                   13.9324(7)
_cell_length_c                   21.5019(10)
_cell_measurement_reflns_used    8510
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      2.26
_cell_volume                     3921.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0234
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21614
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    2.714
_exptl_absorpt_correction_T_max  0.6266
_exptl_absorpt_correction_T_min  0.3497
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.723
_refine_diff_density_min         -1.901
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     960
_refine_ls_number_reflns         13616
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.268
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0430P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                11423
_reflns_number_total             13616
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900415m_si_002_2.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4302914
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 0.139111(15) 0.684796(15) 0.310445(9) 0.01560(7) Uani 1 1 d . . .
Pd Pd 0.33789(3) 0.76215(3) 0.324459(18) 0.01586(10) Uani 1 1 d . . .
Ag Ag 0.42338(3) 0.75973(3) 0.220173(19) 0.02156(11) Uani 1 1 d . . .
P1 P 0.24786(10) 0.73757(10) 0.40322(6) 0.0160(3) Uani 1 1 d . . .
P2 P 0.23015(10) 0.73038(10) 0.22860(6) 0.0166(3) Uani 1 1 d . . .
P3 P 0.50551(10) 0.82086(10) 0.36089(6) 0.0164(3) Uani 1 1 d . . .
P4 P 0.50967(11) 0.77633(11) 0.13046(7) 0.0218(3) Uani 1 1 d . . .
F1 F 0.0483(2) 0.4941(2) 0.38324(16) 0.0322(8) Uani 1 1 d . . .
F2 F -0.0954(3) 0.4697(3) 0.45817(18) 0.0485(11) Uani 1 1 d . . .
F3 F -0.1885(3) 0.6213(3) 0.48525(18) 0.0507(11) Uani 1 1 d . . .
F4 F -0.1424(2) 0.7939(3) 0.43340(17) 0.0395(9) Uani 1 1 d . . .
F5 F -0.0024(2) 0.8195(2) 0.35696(15) 0.0272(8) Uani 1 1 d . . .
F6 F -0.0478(2) 0.7565(2) 0.21597(15) 0.0268(8) Uani 1 1 d . . .
F7 F -0.1755(3) 0.6658(3) 0.11497(17) 0.0427(10) Uani 1 1 d . . .
F8 F -0.1683(3) 0.4788(3) 0.07948(16) 0.0429(10) Uani 1 1 d . . .
F9 F -0.0349(3) 0.3827(3) 0.14660(18) 0.0471(10) Uani 1 1 d . . .
F10 F 0.0949(2) 0.4711(2) 0.24909(16) 0.0333(8) Uani 1 1 d . . .
C1 C 0.0286(4) 0.6583(4) 0.3672(2) 0.0161(12) Uani 1 1 d . . .
C2 C 0.0011(4) 0.5698(4) 0.3938(3) 0.0277(14) Uani 1 1 d . . .
C3 C -0.0719(4) 0.5560(5) 0.4326(3) 0.0308(15) Uani 1 1 d . . .
C4 C -0.1194(4) 0.6319(5) 0.4460(3) 0.0342(16) Uani 1 1 d . . .
C5 C -0.0966(4) 0.7199(5) 0.4194(3) 0.0300(15) Uani 1 1 d . . .
C6 C -0.0240(4) 0.7305(4) 0.3806(3) 0.0241(13) Uani 1 1 d . . .
C7 C 0.0287(4) 0.6175(4) 0.2370(2) 0.0190(12) Uani 1 1 d . . .
C8 C -0.0433(4) 0.6620(4) 0.2015(3) 0.0222(13) Uani 1 1 d . . .
C9 C -0.1093(4) 0.6162(5) 0.1495(3) 0.0297(15) Uani 1 1 d . . .
C10 C -0.1069(4) 0.5229(5) 0.1313(3) 0.0309(15) Uani 1 1 d . . .
C11 C -0.0380(5) 0.4733(4) 0.1654(3) 0.0329(15) Uani 1 1 d . . .
C12 C 0.0265(4) 0.5212(4) 0.2178(3) 0.0250(14) Uani 1 1 d . . .
C13 C 0.2928(4) 0.6502(4) 0.4548(2) 0.0169(12) Uani 1 1 d . . .
C14 C 0.3075(4) 0.5630(4) 0.4273(3) 0.0227(13) Uani 1 1 d . . .
H14A H 0.2828 0.5468 0.3837 0.027 Uiso 1 1 calc R . .
C15 C 0.3576(4) 0.5008(4) 0.4631(3) 0.0292(14) Uani 1 1 d . . .
H15A H 0.3688 0.4420 0.4443 0.035 Uiso 1 1 calc R . .
C16 C 0.3919(4) 0.5242(5) 0.5273(3) 0.0328(16) Uani 1 1 d . . .
H16A H 0.4250 0.4801 0.5523 0.039 Uiso 1 1 calc R . .
C17 C 0.3789(4) 0.6089(5) 0.5547(3) 0.0307(15) Uani 1 1 d . . .
H17A H 0.4034 0.6242 0.5984 0.037 Uiso 1 1 calc R . .
C18 C 0.3297(4) 0.6733(4) 0.5188(2) 0.0238(13) Uani 1 1 d . . .
H18A H 0.3211 0.7331 0.5378 0.029 Uiso 1 1 calc R . .
C19 C 0.2104(4) 0.8299(4) 0.4506(2) 0.0187(12) Uani 1 1 d . . .
C20 C 0.2301(4) 0.9273(4) 0.4359(3) 0.0244(13) Uani 1 1 d . . .
H20A H 0.2700 0.9464 0.4043 0.029 Uiso 1 1 calc R . .
C21 C 0.1910(4) 0.9961(4) 0.4677(3) 0.0313(15) Uani 1 1 d . . .
H21A H 0.2056 1.0629 0.4586 0.038 Uiso 1 1 calc R . .
C22 C 0.1307(4) 0.9680(5) 0.5128(3) 0.0332(16) Uani 1 1 d . . .
H22A H 0.1033 1.0154 0.5341 0.040 Uiso 1 1 calc R . .
C23 C 0.1105(4) 0.8725(5) 0.5267(3) 0.0311(15) Uani 1 1 d . . .
H23A H 0.0692 0.8539 0.5577 0.037 Uiso 1 1 calc R . .
C24 C 0.1494(4) 0.8027(4) 0.4962(2) 0.0224(13) Uani 1 1 d . . .
H24A H 0.1347 0.7362 0.5060 0.027 Uiso 1 1 calc R . .
C25 C 0.2065(4) 0.6425(4) 0.1613(3) 0.0201(12) Uani 1 1 d . . .
C26 C 0.1383(4) 0.6511(4) 0.1066(2) 0.0230(13) Uani 1 1 d . . .
H26A H 0.1060 0.7065 0.1022 0.028 Uiso 1 1 calc R . .
C27 C 0.1182(4) 0.5787(5) 0.0589(3) 0.0312(15) Uani 1 1 d . . .
H27A H 0.0719 0.5843 0.0215 0.037 Uiso 1 1 calc R . .
C28 C 0.1647(5) 0.4981(5) 0.0650(3) 0.0353(16) Uani 1 1 d . . .
H28A H 0.1510 0.4488 0.0317 0.042 Uiso 1 1 calc R . .
C29 C 0.2317(5) 0.4890(5) 0.1199(3) 0.0349(16) Uani 1 1 d . . .
H29A H 0.2632 0.4331 0.1244 0.042 Uiso 1 1 calc R . .
C30 C 0.2522(4) 0.5609(4) 0.1675(3) 0.0240(13) Uani 1 1 d . . .
H30A H 0.2980 0.5546 0.2050 0.029 Uiso 1 1 calc R . .
C31 C 0.2008(4) 0.8459(4) 0.2010(2) 0.0181(12) Uani 1 1 d . . .
C32 C 0.2338(4) 0.8839(4) 0.1467(3) 0.0276(14) Uani 1 1 d . . .
H32A H 0.2634 0.8453 0.1202 0.033 Uiso 1 1 calc R . .
C33 C 0.2230(5) 0.9780(5) 0.1320(3) 0.0396(17) Uani 1 1 d . . .
H33A H 0.2441 1.0035 0.0948 0.048 Uiso 1 1 calc R . .
C34 C 0.1822(5) 1.0345(5) 0.1706(3) 0.0459(19) Uani 1 1 d . . .
H34A H 0.1767 1.0995 0.1605 0.055 Uiso 1 1 calc R . .
C35 C 0.1487(5) 0.9976(5) 0.2246(3) 0.0388(17) Uani 1 1 d . . .
H35A H 0.1192 1.0367 0.2510 0.047 Uiso 1 1 calc R . .
C36 C 0.1586(4) 0.9043(4) 0.2394(3) 0.0274(14) Uani 1 1 d . . .
H36A H 0.1362 0.8791 0.2763 0.033 Uiso 1 1 calc R . .
C37 C 0.5490(4) 0.8188(4) 0.4454(2) 0.0173(12) Uani 1 1 d . . .
C38 C 0.5061(4) 0.8727(4) 0.4856(2) 0.0198(12) Uani 1 1 d . . .
H38A H 0.4568 0.9102 0.4685 0.024 Uiso 1 1 calc R . .
C39 C 0.5344(4) 0.8724(4) 0.5505(3) 0.0255(14) Uani 1 1 d . . .
H39A H 0.5046 0.9099 0.5776 0.031 Uiso 1 1 calc R . .
C40 C 0.6061(4) 0.8177(4) 0.5762(3) 0.0236(13) Uani 1 1 d . . .
H40A H 0.6250 0.8166 0.6206 0.028 Uiso 1 1 calc R . .
C41 C 0.6490(4) 0.7651(4) 0.5359(3) 0.0238(13) Uani 1 1 d . . .
H41A H 0.6985 0.7280 0.5531 0.029 Uiso 1 1 calc R . .
C42 C 0.6215(4) 0.7650(4) 0.4703(3) 0.0228(13) Uani 1 1 d . . .
H42A H 0.6522 0.7284 0.4432 0.027 Uiso 1 1 calc R . .
C43 C 0.5402(4) 0.9470(4) 0.3425(2) 0.0184(12) Uani 1 1 d . . .
C44 C 0.4698(4) 0.9908(4) 0.3036(2) 0.0200(12) Uani 1 1 d . . .
H44A H 0.4045 0.9540 0.2867 0.024 Uiso 1 1 calc R . .
C45 C 0.4945(4) 1.0875(4) 0.2895(3) 0.0265(14) Uani 1 1 d . . .
H45A H 0.4457 1.1168 0.2635 0.032 Uiso 1 1 calc R . .
C46 C 0.5898(4) 1.1414(4) 0.3132(3) 0.0275(14) Uani 1 1 d . . .
H46A H 0.6073 1.2073 0.3027 0.033 Uiso 1 1 calc R . .
C47 C 0.6598(4) 1.0989(4) 0.3524(3) 0.0256(14) Uani 1 1 d . . .
H47A H 0.7250 1.1363 0.3691 0.031 Uiso 1 1 calc R . .
C48 C 0.6359(4) 1.0022(4) 0.3677(3) 0.0218(13) Uani 1 1 d . . .
H48A H 0.6842 0.9740 0.3949 0.026 Uiso 1 1 calc R . .
C49 C 0.5877(4) 0.7522(4) 0.3265(2) 0.0188(12) Uani 1 1 d . . .
C50 C 0.6738(4) 0.7957(4) 0.3024(3) 0.0234(13) Uani 1 1 d . . .
H50A H 0.6885 0.8647 0.3005 0.028 Uiso 1 1 calc R . .
C51 C 0.7379(4) 0.7385(5) 0.2813(3) 0.0291(15) Uani 1 1 d . . .
H51A H 0.7955 0.7683 0.2641 0.035 Uiso 1 1 calc R . .
C52 C 0.7180(4) 0.6388(5) 0.2852(3) 0.0328(15) Uani 1 1 d . . .
H52A H 0.7629 0.6002 0.2717 0.039 Uiso 1 1 calc R . .
C53 C 0.6321(5) 0.5943(5) 0.3089(3) 0.0317(15) Uani 1 1 d . . .
H53A H 0.6188 0.5255 0.3118 0.038 Uiso 1 1 calc R . .
C54 C 0.5669(4) 0.6503(4) 0.3281(3) 0.0241(13) Uani 1 1 d . . .
H54A H 0.5070 0.6195 0.3425 0.029 Uiso 1 1 calc R . .
C55 C 0.6231(4) 0.8708(4) 0.1439(2) 0.0239(13) Uani 1 1 d . . .
C56 C 0.7163(4) 0.8568(5) 0.1304(3) 0.0322(15) Uani 1 1 d . . .
H56A H 0.7220 0.7973 0.1097 0.039 Uiso 1 1 calc R . .
C57 C 0.8010(5) 0.9291(5) 0.1469(3) 0.0433(18) Uani 1 1 d . . .
H57A H 0.8651 0.9191 0.1376 0.052 Uiso 1 1 calc R . .
C58 C 0.7937(5) 1.0162(5) 0.1769(3) 0.0430(18) Uani 1 1 d . . .
H58A H 0.8526 1.0655 0.1884 0.052 Uiso 1 1 calc R . .
C59 C 0.7016(5) 1.0311(5) 0.1899(3) 0.0405(17) Uani 1 1 d . . .
H59A H 0.6960 1.0915 0.2095 0.049 Uiso 1 1 calc R . .
C60 C 0.6166(5) 0.9584(4) 0.1746(3) 0.0307(15) Uani 1 1 d . . .
H60A H 0.5532 0.9681 0.1852 0.037 Uiso 1 1 calc R . .
C61 C 0.4259(4) 0.8071(4) 0.0615(2) 0.0226(13) Uani 1 1 d . . .
C62 C 0.4271(4) 0.9028(5) 0.0436(3) 0.0297(15) Uani 1 1 d . . .
H62A H 0.4773 0.9543 0.0655 0.036 Uiso 1 1 calc R . .
C63 C 0.3555(5) 0.9233(5) -0.0058(3) 0.0333(16) Uani 1 1 d . . .
H63A H 0.3568 0.9886 -0.0176 0.040 Uiso 1 1 calc R . .
C64 C 0.2827(5) 0.8493(5) -0.0376(3) 0.0374(17) Uani 1 1 d . . .
H64A H 0.2341 0.8634 -0.0717 0.045 Uiso 1 1 calc R . .
C65 C 0.2801(4) 0.7547(5) -0.0202(3) 0.0325(15) Uani 1 1 d . . .
H65A H 0.2296 0.7036 -0.0422 0.039 Uiso 1 1 calc R . .
C66 C 0.3511(4) 0.7334(4) 0.0295(3) 0.0260(14) Uani 1 1 d . . .
H66A H 0.3484 0.6681 0.0415 0.031 Uiso 1 1 calc R . .
C67 C 0.5463(4) 0.6642(4) 0.1069(3) 0.0232(13) Uani 1 1 d . . .
C68 C 0.5821(4) 0.6509(4) 0.0503(3) 0.0260(14) Uani 1 1 d . . .
H68A H 0.5865 0.7022 0.0222 0.031 Uiso 1 1 calc R . .
C69 C 0.6108(4) 0.5653(5) 0.0350(3) 0.0305(15) Uani 1 1 d . . .
H69A H 0.6349 0.5569 -0.0036 0.037 Uiso 1 1 calc R . .
C70 C 0.6048(4) 0.4905(5) 0.0760(3) 0.0335(15) Uani 1 1 d . . .
H70A H 0.6258 0.4313 0.0655 0.040 Uiso 1 1 calc R . .
C71 C 0.5690(4) 0.5007(5) 0.1314(3) 0.0326(15) Uani 1 1 d . . .
H71A H 0.5646 0.4487 0.1590 0.039 Uiso 1 1 calc R . .
C72 C 0.5392(4) 0.5871(4) 0.1469(3) 0.0301(15) Uani 1 1 d . . .
H72A H 0.5136 0.5942 0.1852 0.036 Uiso 1 1 calc R . .
Cl1 Cl 0.41574(13) 0.36667(11) 0.27711(7) 0.0341(4) Uani 1 1 d . . .
O1 O 0.4068(5) 0.4220(4) 0.3315(2) 0.0708(17) Uani 1 1 d . . .
O2 O 0.5193(4) 0.3474(4) 0.2837(3) 0.0609(15) Uani 1 1 d . . .
O3 O 0.3476(4) 0.2752(3) 0.2698(2) 0.0509(13) Uani 1 1 d . . .
O4 O 0.3980(4) 0.4203(3) 0.2226(2) 0.0460(13) Uani 1 1 d . . .
C73 C 0.3929(6) 0.2301(6) 0.1273(3) 0.055(2) Uani 1 1 d . . .
H73A H 0.4218 0.2990 0.1414 0.066 Uiso 1 1 calc R . .
H73B H 0.3729 0.1959 0.1643 0.066 Uiso 1 1 calc R . .
Cl2 Cl 0.28396(14) 0.22625(14) 0.06976(9) 0.0516(5) Uani 1 1 d . . .
Cl3 Cl 0.48589(16) 0.17684(16) 0.09973(10) 0.0624(6) Uani 1 1 d . . .
C74 C 0.8885(7) 0.7264(6) 0.6925(4) 0.072(3) Uani 1 1 d . . .
H74A H 0.9188 0.6700 0.6810 0.086 Uiso 1 1 calc R . .
H74B H 0.8144 0.7034 0.6910 0.086 Uiso 1 1 calc R . .
Cl4 Cl 0.90620(17) 0.81423(19) 0.63852(11) 0.0822(8) Uani 1 1 d . . .
Cl5 Cl 0.9453(2) 0.77288(18) 0.77003(12) 0.0991(9) Uani 1 1 d . . .
C75A C -0.2488(12) 0.3854(9) 0.2522(4) 0.061(3) Uiso 0.50 1 d PD A 1
H75A H -0.3150 0.3975 0.2621 0.073 Uiso 0.50 1 calc PR A 1
H75B H -0.2112 0.4480 0.2407 0.073 Uiso 0.50 1 calc PR A 1
Cl6A Cl -0.2727(7) 0.3032(8) 0.1877(4) 0.0903(11) Uani 0.50 1 d PD A 1
Cl7A Cl -0.1791(4) 0.3487(4) 0.3200(3) 0.0903(11) Uani 0.50 1 d PD A 1
C75B C -0.2081(11) 0.3781(8) 0.2803(4) 0.061(3) Uiso 0.50 1 d PD B 2
H75C H -0.1616 0.4409 0.2784 0.073 Uiso 0.50 1 calc PR B 2
H75D H -0.2648 0.3910 0.3015 0.073 Uiso 0.50 1 calc PR B 2
Cl6B Cl -0.2562(7) 0.3267(8) 0.2042(4) 0.0903(11) Uani 0.50 1 d PD B 2
Cl7B Cl -0.1421(4) 0.2974(4) 0.3226(3) 0.0903(11) Uani 0.50 1 d PD B 2
C76A C 1.0677(9) 0.848(3) 0.0041(8) 0.195(14) Uiso 0.33 1 d PD C 1
H76A H 1.0991 0.9165 -0.0001 0.234 Uiso 0.33 1 calc PR C 1
H76B H 1.1206 0.8133 0.0256 0.234 Uiso 0.33 1 calc PR C 1
Cl8A Cl 0.9664(9) 0.8418(9) 0.0456(5) 0.1267(15) Uani 0.33 1 d PD C 1
Cl9A Cl 1.0127(8) 0.7906(8) -0.0694(4) 0.1267(15) Uani 0.33 1 d PD C 1
C76B C 0.965(4) 0.8954(6) 0.0073(13) 0.195(14) Uiso 0.33 1 d PD D 2
H76C H 1.0162 0.9312 0.0423 0.234 Uiso 0.33 1 calc PR D 2
H76D H 0.9033 0.9253 0.0024 0.234 Uiso 0.33 1 calc PR D 2
Cl8B Cl 1.0154(7) 0.8978(7) -0.0625(5) 0.1267(15) Uani 0.33 1 d PD D 2
Cl9B Cl 0.9361(8) 0.7723(7) 0.0214(5) 0.1267(15) Uani 0.33 1 d PD D 2
C76C C 0.964(4) 0.8607(7) 0.0255(17) 0.195(14) Uiso 0.33 1 d PD E 3
H76E H 1.0018 0.8638 0.0693 0.234 Uiso 0.33 1 calc PR E 3
H76F H 0.8913 0.8606 0.0266 0.234 Uiso 0.33 1 calc PR E 3
Cl8C Cl 1.0159(8) 0.9573(5) -0.0158(6) 0.1267(15) Uani 0.33 1 d PD . 3
Cl9C Cl 0.9805(8) 0.7586(5) -0.0177(6) 0.1267(15) Uani 0.33 1 d PD E 3
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'
Pd Pd -0.9988 1.0072 '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'
Pt Pt -1.7033 8.3905 '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'
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
C7 Pt C1 86.9(2) . . ?
C7 Pt P1 169.24(14) . . ?
C1 Pt P1 84.60(14) . . ?
C7 Pt P2 82.99(14) . . ?
C1 Pt P2 164.78(14) . . ?
P1 Pt P2 106.60(5) . . ?
C7 Pt Pd 135.70(14) . . ?
C1 Pt Pd 137.34(14) . . ?
P1 Pt Pd 52.84(3) . . ?
P2 Pt Pd 54.20(3) . . ?
P1 Pd P3 111.82(5) . . ?
P1 Pd P2 109.92(5) . . ?
P3 Pd P2 138.07(5) . . ?
P1 Pd Pt 54.83(4) . . ?
P3 Pd Pt 166.31(4) . . ?
P2 Pd Pt 55.55(3) . . ?
P1 Pd Ag 169.07(4) . . ?
P3 Pd Ag 76.74(4) . . ?
P2 Pd Ag 62.38(4) . . ?
Pt Pd Ag 116.122(18) . . ?
P4 Ag P2 131.59(5) . . ?
P4 Ag Pd 173.45(4) . . ?
P2 Ag Pd 51.70(3) . . ?
C13 P1 C19 108.0(2) . . ?
C13 P1 Pd 111.42(17) . . ?
C19 P1 Pd 126.78(18) . . ?
C13 P1 Pt 119.66(19) . . ?
C19 P1 Pt 115.71(17) . . ?
Pd P1 Pt 72.32(4) . . ?
C31 P2 C25 108.7(2) . . ?
C31 P2 Pd 107.79(18) . . ?
C25 P2 Pd 138.04(19) . . ?
C31 P2 Pt 108.90(18) . . ?
C25 P2 Pt 115.43(17) . . ?
Pd P2 Pt 70.25(4) . . ?
C31 P2 Ag 98.67(17) . . ?
C25 P2 Ag 88.63(17) . . ?
Pd P2 Ag 65.92(4) . . ?
Pt P2 Ag 133.49(6) . . ?
C43 P3 C49 107.3(2) . . ?
C43 P3 C37 105.2(2) . . ?
C49 P3 C37 103.4(2) . . ?
C43 P3 Pd 111.19(18) . . ?
C49 P3 Pd 111.91(18) . . ?
C37 P3 Pd 117.04(17) . . ?
C67 P4 C55 108.0(3) . . ?
C67 P4 C61 105.1(3) . . ?
C55 P4 C61 107.2(3) . . ?
C67 P4 Ag 112.39(19) . . ?
C55 P4 Ag 112.81(19) . . ?
C61 P4 Ag 110.88(18) . . ?
C6 C1 C2 115.5(5) . . ?
C6 C1 Pt 120.1(4) . . ?
C2 C1 Pt 124.4(4) . . ?
F1 C2 C3 117.6(5) . . ?
F1 C2 C1 120.0(5) . . ?
C3 C2 C1 122.4(6) . . ?
F2 C3 C4 119.9(5) . . ?
F2 C3 C2 120.7(6) . . ?
C4 C3 C2 119.5(6) . . ?
F3 C4 C3 120.7(6) . . ?
F3 C4 C5 119.2(6) . . ?
C3 C4 C5 120.1(5) . . ?
F4 C5 C4 119.7(5) . . ?
F4 C5 C6 121.6(6) . . ?
C4 C5 C6 118.6(6) . . ?
F5 C6 C1 119.9(5) . . ?
F5 C6 C5 116.2(5) . . ?
C1 C6 C5 123.8(5) . . ?
C8 C7 C12 114.8(5) . . ?
C8 C7 Pt 125.4(4) . . ?
C12 C7 Pt 119.7(4) . . ?
F6 C8 C9 117.3(5) . . ?
F6 C8 C7 119.7(5) . . ?
C9 C8 C7 122.9(5) . . ?
C10 C9 F7 119.8(5) . . ?
C10 C9 C8 120.3(5) . . ?
F7 C9 C8 119.9(6) . . ?
F8 C10 C9 120.8(6) . . ?
F8 C10 C11 119.4(6) . . ?
C9 C10 C11 119.8(6) . . ?
F9 C11 C12 122.3(6) . . ?
F9 C11 C10 119.3(6) . . ?
C12 C11 C10 118.4(6) . . ?
F10 C12 C11 116.7(5) . . ?
F10 C12 C7 119.5(5) . . ?
C11 C12 C7 123.7(5) . . ?
C18 C13 C14 119.5(5) . . ?
C18 C13 P1 122.1(4) . . ?
C14 C13 P1 117.5(4) . . ?
C15 C14 C13 120.0(5) . . ?
C14 C15 C16 119.7(6) . . ?
C17 C16 C15 121.1(6) . . ?
C16 C17 C18 119.9(6) . . ?
C17 C18 C13 119.9(6) . . ?
C20 C19 C24 119.5(5) . . ?
C20 C19 P1 119.9(4) . . ?
C24 C19 P1 120.0(4) . . ?
C21 C20 C19 119.6(5) . . ?
C20 C21 C22 120.3(6) . . ?
C23 C22 C21 120.1(6) . . ?
C22 C23 C24 120.7(6) . . ?
C23 C24 C19 119.8(5) . . ?
C30 C25 C26 119.7(5) . . ?
C30 C25 P2 117.9(4) . . ?
C26 C25 P2 122.2(4) . . ?
C27 C26 C25 119.5(6) . . ?
C28 C27 C26 120.6(6) . . ?
C27 C28 C29 119.9(6) . . ?
C30 C29 C28 119.8(6) . . ?
C29 C30 C25 120.5(5) . . ?
C36 C31 C32 119.0(5) . . ?
C36 C31 P2 119.2(4) . . ?
C32 C31 P2 121.0(4) . . ?
C33 C32 C31 119.5(6) . . ?
C34 C33 C32 120.5(6) . . ?
C33 C34 C35 120.6(6) . . ?
C36 C35 C34 119.2(6) . . ?
C35 C36 C31 121.1(5) . . ?
C42 C37 C38 119.7(5) . . ?
C42 C37 P3 122.5(4) . . ?
C38 C37 P3 117.9(4) . . ?
C37 C38 C39 120.6(5) . . ?
C38 C39 C40 120.4(5) . . ?
C41 C40 C39 118.7(5) . . ?
C40 C41 C42 121.6(5) . . ?
C37 C42 C41 119.1(5) . . ?
C44 C43 C48 119.2(5) . . ?
C44 C43 P3 119.7(4) . . ?
C48 C43 P3 121.1(4) . . ?
C45 C44 C43 120.6(5) . . ?
C46 C45 C44 120.2(5) . . ?
C45 C46 C47 119.6(5) . . ?
C46 C47 C48 121.0(5) . . ?
C47 C48 C43 119.4(5) . . ?
C50 C49 C54 118.7(5) . . ?
C50 C49 P3 123.4(4) . . ?
C54 C49 P3 117.7(4) . . ?
C51 C50 C49 120.2(5) . . ?
C52 C51 C50 120.1(5) . . ?
C51 C52 C53 120.4(6) . . ?
C54 C53 C52 119.7(6) . . ?
C53 C54 C49 120.8(5) . . ?
C56 C55 C60 119.0(6) . . ?
C56 C55 P4 123.3(5) . . ?
C60 C55 P4 117.5(4) . . ?
C57 C56 C55 120.0(6) . . ?
C56 C57 C58 120.6(6) . . ?
C59 C58 C57 119.8(6) . . ?
C58 C59 C60 119.9(7) . . ?
C59 C60 C55 120.6(6) . . ?
C66 C61 C62 118.7(5) . . ?
C66 C61 P4 118.2(4) . . ?
C62 C61 P4 122.8(5) . . ?
C63 C62 C61 120.4(6) . . ?
C64 C63 C62 120.2(6) . . ?
C63 C64 C65 120.0(6) . . ?
C64 C65 C66 120.3(6) . . ?
C61 C66 C65 120.4(6) . . ?
C72 C67 C68 118.4(5) . . ?
C72 C67 P4 118.7(4) . . ?
C68 C67 P4 122.9(4) . . ?
C69 C68 C67 120.8(6) . . ?
C68 C69 C70 119.7(6) . . ?
C71 C70 C69 121.0(6) . . ?
C70 C71 C72 119.5(6) . . ?
C71 C72 C67 120.5(6) . . ?
O1 Cl1 O4 110.3(3) . . ?
O1 Cl1 O3 111.6(3) . . ?
O4 Cl1 O3 110.3(3) . . ?
O1 Cl1 O2 108.6(3) . . ?
O4 Cl1 O2 108.0(3) . . ?
O3 Cl1 O2 108.0(3) . . ?
Cl3 C73 Cl2 112.5(4) . . ?
Cl4 C74 Cl5 111.3(4) . . ?
Cl6A C75A Cl7A 115.0(6) . . ?
Cl7B C75B Cl6B 108.9(5) . . ?
Cl9A C76A Cl8A 104.4(3) . . ?
Cl9B C76B Cl8B 105.0(3) . . ?
Cl9C C76C Cl8C 103.0(3) . . ?
Cl8C Cl8C C76C 101.4(11) 2_775 . ?
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 C7 2.066(5) . ?
Pt C1 2.066(5) . ?
Pt P1 2.2959(14) . ?
Pt P2 2.3447(13) . ?
Pt Pd 2.6760(4) . ?
Pd P1 2.2384(14) . ?
Pd P3 2.2686(14) . ?
Pd P2 2.3060(14) . ?
Pd Ag 2.6829(6) . ?
Ag P4 2.4049(14) . ?
Ag P2 2.6037(14) . ?
P1 C13 1.789(5) . ?
P1 C19 1.806(6) . ?
P2 C31 1.816(5) . ?
P2 C25 1.818(6) . ?
P3 C43 1.811(5) . ?
P3 C49 1.811(6) . ?
P3 C37 1.820(5) . ?
P4 C67 1.802(6) . ?
P4 C55 1.815(6) . ?
P4 C61 1.823(6) . ?
F1 C2 1.354(7) . ?
F2 C3 1.346(6) . ?
F3 C4 1.347(6) . ?
F4 C5 1.340(7) . ?
F5 C6 1.357(6) . ?
F6 C8 1.358(6) . ?
F7 C9 1.363(6) . ?
F8 C10 1.339(6) . ?
F9 C11 1.324(7) . ?
F10 C12 1.357(6) . ?
C1 C6 1.376(8) . ?
C1 C2 1.390(7) . ?
C2 C3 1.382(8) . ?
C3 C4 1.374(9) . ?
C4 C5 1.375(8) . ?
C5 C6 1.378(8) . ?
C7 C8 1.381(7) . ?
C7 C12 1.386(8) . ?
C8 C9 1.376(8) . ?
C9 C10 1.353(9) . ?
C10 C11 1.383(8) . ?
C11 C12 1.382(8) . ?
C13 C18 1.394(7) . ?
C13 C14 1.394(8) . ?
C14 C15 1.370(7) . ?
C15 C16 1.394(8) . ?
C16 C17 1.354(9) . ?
C17 C18 1.387(7) . ?
C19 C20 1.392(7) . ?
C19 C24 1.398(7) . ?
C20 C21 1.384(8) . ?
C21 C22 1.386(8) . ?
C22 C23 1.363(8) . ?
C23 C24 1.380(8) . ?
C25 C30 1.384(7) . ?
C25 C26 1.395(7) . ?
C26 C27 1.377(8) . ?
C27 C28 1.377(8) . ?
C28 C29 1.391(8) . ?
C29 C30 1.371(8) . ?
C31 C36 1.392(8) . ?
C31 C32 1.401(7) . ?
C32 C33 1.384(8) . ?
C33 C34 1.368(9) . ?
C34 C35 1.393(8) . ?
C35 C36 1.371(8) . ?
C37 C42 1.384(7) . ?
C37 C38 1.385(7) . ?
C38 C39 1.388(7) . ?
C39 C40 1.389(7) . ?
C40 C41 1.375(8) . ?
C41 C42 1.401(7) . ?
C43 C44 1.396(7) . ?
C43 C48 1.399(7) . ?
C44 C45 1.385(7) . ?
C45 C46 1.382(8) . ?
C46 C47 1.385(8) . ?
C47 C48 1.391(7) . ?
C49 C50 1.397(7) . ?
C49 C54 1.402(8) . ?
C50 C51 1.391(8) . ?
C51 C52 1.376(8) . ?
C52 C53 1.394(8) . ?
C53 C54 1.374(8) . ?
C55 C56 1.379(8) . ?
C55 C60 1.393(8) . ?
C56 C57 1.377(8) . ?
C57 C58 1.383(9) . ?
C58 C59 1.365(9) . ?
C59 C60 1.381(9) . ?
C61 C66 1.386(8) . ?
C61 C62 1.397(8) . ?
C62 C63 1.389(8) . ?
C63 C64 1.373(9) . ?
C64 C65 1.378(8) . ?
C65 C66 1.390(8) . ?
C67 C72 1.396(8) . ?
C67 C68 1.396(8) . ?
C68 C69 1.365(8) . ?
C69 C70 1.384(8) . ?
C70 C71 1.368(8) . ?
C71 C72 1.382(8) . ?
Cl1 O1 1.415(5) . ?
Cl1 O4 1.419(4) . ?
Cl1 O3 1.424(5) . ?
Cl1 O2 1.453(5) . ?
C73 Cl3 1.735(7) . ?
C73 Cl2 1.754(7) . ?
C74 Cl4 1.723(7) . ?
C74 Cl5 1.773(8) . ?
C75A Cl6A 1.726(5) . ?
C75A Cl7A 1.743(5) . ?
C75B Cl7B 1.742(5) . ?
C75B Cl6B 1.743(5) . ?
C76A Cl9A 1.7401(10) . ?
C76A Cl8A 1.7401(10) . ?
C76B Cl9B 1.7398(11) . ?
C76B Cl8B 1.7401(11) . ?
C76C Cl9C 1.7401(11) . ?
C76C Cl8C 1.7400(11) . ?
Cl8C Cl8C 1.511(16) 2_775 ?
