#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:43:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179344 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/41/4324139.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_4324139
loop_
_publ_author_name
'Juan Forniés'
'Consuelo Fortuño'
'Susana Ibáñez'
'Antonio Martín'
'Pilar Romero'
'Piero Mastrorilli'
'Vito Gallo'
_publ_section_title
;
 Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated
 Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or
 Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes
 Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref
 1.
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              285
_journal_page_last               298
_journal_paper_doi               10.1021/ic101934t
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C91 H61 Cl2 F20 N2 P5 Pd Pt2'
_chemical_formula_weight         2284.75
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 92.671(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.303(6)
_cell_length_b                   17.555(3)
_cell_length_c                   23.354(3)
_cell_measurement_reflns_used    949
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.00
_cell_measurement_theta_min      2.98
_cell_volume                     17325(4)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart'
_diffrn_measurement_method       'w 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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            45876
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    3.672
_exptl_absorpt_correction_T_max  0.5127
_exptl_absorpt_correction_T_min  0.3285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             8896
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.21
_refine_diff_density_max         2.000
_refine_diff_density_min         -1.952
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1117
_refine_ls_number_reflns         15274
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0464
_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)+(0.0676P)²+151.3066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1363
_reflns_number_gt                11543
_reflns_number_total             15274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101934t_si_001_5.cif
_cod_data_source_block           8
_cod_original_cell_volume        17324(4)
_cod_database_code               4324139
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Pt1 Pt 0.103763(6) -0.480032(17) 0.418302(12) 0.01815(9) Uani 1 1 d . . .
Pt2 Pt 0.125065(7) -0.025301(17) 0.335215(14) 0.02328(10) Uani 1 1 d . . .
Pd Pd 0.113428(12) -0.25434(3) 0.37885(2) 0.01757(14) Uani 1 1 d . . .
P1 P 0.08310(4) -0.37110(11) 0.37284(8) 0.0188(4) Uani 1 1 d . . .
P2 P 0.14655(4) -0.14747(11) 0.35369(8) 0.0197(4) Uani 1 1 d . . .
P3 P 0.11872(4) -0.40205(11) 0.49203(8) 0.0193(4) Uani 1 1 d . . .
P4 P 0.14185(4) -0.29897(11) 0.45564(8) 0.0185(4) Uani 1 1 d . . .
P5 P 0.10569(5) 0.09452(13) 0.31761(11) 0.0355(6) Uani 1 1 d . . .
N1 N 0.08654(14) -0.2190(3) 0.3072(3) 0.0213(14) Uani 1 1 d . . .
F1 F 0.04288(10) -0.5891(3) 0.40476(19) 0.0303(11) Uani 1 1 d . . .
F2 F 0.01789(11) -0.6680(3) 0.3159(2) 0.0462(14) Uani 1 1 d . . .
F3 F 0.04677(12) -0.6713(3) 0.2147(2) 0.0440(14) Uani 1 1 d . . .
F4 F 0.10318(11) -0.6012(3) 0.20580(19) 0.0342(12) Uani 1 1 d . . .
F5 F 0.12981(10) -0.5233(3) 0.29379(19) 0.0257(10) Uani 1 1 d . . .
F6 F 0.08391(11) -0.5781(3) 0.5278(2) 0.0349(12) Uani 1 1 d . . .
F7 F 0.10725(14) -0.7045(3) 0.5770(2) 0.0456(14) Uani 1 1 d . . .
F8 F 0.15685(14) -0.7786(3) 0.5310(2) 0.0542(16) Uani 1 1 d . . .
F9 F 0.18183(12) -0.7245(3) 0.4343(2) 0.0455(14) Uani 1 1 d . . .
F10 F 0.16077(11) -0.5944(3) 0.3873(2) 0.0367(12) Uani 1 1 d . . .
F11 F 0.05121(12) -0.0677(3) 0.2898(2) 0.0475(14) Uani 1 1 d . . .
F12 F -0.00082(13) -0.0901(3) 0.3489(3) 0.0666(19) Uani 1 1 d . . .
F13 F 0.00207(15) -0.0824(4) 0.4659(3) 0.075(2) Uani 1 1 d . . .
F14 F 0.05827(16) -0.0515(4) 0.5225(2) 0.0673(18) Uani 1 1 d . . .
F15 F 0.10992(14) -0.0303(3) 0.4641(2) 0.0488(14) Uani 1 1 d . . .
F16 F 0.15445(14) -0.0204(3) 0.2032(3) 0.0527(15) Uani 1 1 d . . .
F17 F 0.21214(17) 0.0070(5) 0.1709(3) 0.087(2) Uani 1 1 d . . .
F18 F 0.25805(15) 0.0592(5) 0.2476(4) 0.105(3) Uani 1 1 d . . .
F19 F 0.24295(14) 0.0828(4) 0.3576(4) 0.089(3) Uani 1 1 d . . .
F20 F 0.18534(13) 0.0507(3) 0.3926(3) 0.0587(18) Uani 1 1 d . . .
C1 C 0.08657(17) -0.5488(4) 0.3525(3) 0.0180(16) Uani 1 1 d . . .
C2 C 0.05874(18) -0.5888(5) 0.3556(3) 0.0246(18) Uani 1 1 d . . .
C3 C 0.04532(18) -0.6293(5) 0.3100(3) 0.0289(19) Uani 1 1 d . . .
C4 C 0.05955(19) -0.6319(5) 0.2594(3) 0.030(2) Uani 1 1 d . . .
C5 C 0.08815(18) -0.5951(5) 0.2551(3) 0.0242(18) Uani 1 1 d . . .
C6 C 0.10118(17) -0.5556(4) 0.3008(3) 0.0214(17) Uani 1 1 d . . .
C7 C 0.12133(18) -0.5798(4) 0.4546(3) 0.0207(17) Uani 1 1 d . . .
C8 C 0.10902(19) -0.6116(4) 0.5031(4) 0.0267(18) Uani 1 1 d . . .
C9 C 0.1203(2) -0.6759(5) 0.5292(3) 0.033(2) Uani 1 1 d . . .
C10 C 0.1452(2) -0.7142(5) 0.5067(4) 0.041(2) Uani 1 1 d . . .
C11 C 0.1580(2) -0.6855(5) 0.4583(4) 0.035(2) Uani 1 1 d . . .
C12 C 0.14597(19) -0.6203(5) 0.4335(3) 0.0267(18) Uani 1 1 d . . .
C13 C 0.08325(18) -0.0502(4) 0.3726(4) 0.0245(18) Uani 1 1 d . . .
C14 C 0.0544(2) -0.0649(5) 0.3471(4) 0.038(2) Uani 1 1 d . . .
C15 C 0.0261(2) -0.0756(5) 0.3780(5) 0.041(2) Uani 1 1 d . . .
C16 C 0.0292(2) -0.0714(6) 0.4369(5) 0.048(3) Uani 1 1 d . . .
C17 C 0.0567(3) -0.0565(6) 0.4635(5) 0.053(3) Uani 1 1 d . . .
C18 C 0.0833(2) -0.0480(5) 0.4349(5) 0.044(3) Uani 1 1 d . . .
C19 C 0.16758(19) 0.0059(5) 0.3019(5) 0.038(2) Uani 1 1 d . . .
C20 C 0.1752(2) -0.0001(5) 0.2432(4) 0.037(2) Uani 1 1 d . . .
C21 C 0.2060(3) 0.0166(7) 0.2265(6) 0.061(3) Uani 1 1 d . . .
C22 C 0.2272(3) 0.0446(7) 0.2635(7) 0.070(4) Uani 1 1 d . . .
C23 C 0.2222(2) 0.0563(7) 0.3198(6) 0.057(3) Uani 1 1 d . . .
C24 C 0.1908(3) 0.0351(6) 0.3363(5) 0.052(3) Uani 1 1 d . . .
C25 C 0.04247(17) -0.3547(5) 0.3953(3) 0.0220(17) Uani 1 1 d . . .
C26 C 0.02695(17) -0.4112(4) 0.4246(3) 0.0214(17) Uani 1 1 d . . .
H26A H 0.0372 -0.4584 0.4326 0.026 Uiso 1 1 calc R . .
C27 C -0.00382(18) -0.3984(5) 0.4425(4) 0.0284(19) Uani 1 1 d . . .
H27A H -0.0145 -0.4374 0.4621 0.034 Uiso 1 1 calc R . .
C28 C -0.01844(17) -0.3297(5) 0.4317(3) 0.0271(19) Uani 1 1 d . . .
H28A H -0.0392 -0.3212 0.4443 0.032 Uiso 1 1 calc R . .
C29 C -0.00324(18) -0.2727(5) 0.4026(3) 0.0263(18) Uani 1 1 d . . .
H29A H -0.0135 -0.2254 0.3950 0.032 Uiso 1 1 calc R . .
C30 C 0.02712(17) -0.2854(5) 0.3847(3) 0.0217(17) Uani 1 1 d . . .
H30A H 0.0376 -0.2463 0.3650 0.026 Uiso 1 1 calc R . .
C31 C 0.07753(18) -0.3866(4) 0.2947(3) 0.0215(17) Uani 1 1 d . . .
C32 C 0.04829(19) -0.4073(5) 0.2701(3) 0.0284(19) Uani 1 1 d . . .
H32A H 0.0305 -0.4116 0.2932 0.034 Uiso 1 1 calc R . .
C33 C 0.0451(2) -0.4216(6) 0.2116(4) 0.039(2) Uani 1 1 d . . .
H33A H 0.0251 -0.4354 0.1949 0.047 Uiso 1 1 calc R . .
C34 C 0.0709(2) -0.4160(5) 0.1776(4) 0.033(2) Uani 1 1 d . . .
H34A H 0.0687 -0.4260 0.1376 0.039 Uiso 1 1 calc R . .
C35 C 0.0999(2) -0.3955(5) 0.2027(3) 0.0286(19) Uani 1 1 d . . .
H35A H 0.1178 -0.3919 0.1798 0.034 Uiso 1 1 calc R . .
C36 C 0.10308(18) -0.3802(4) 0.2605(3) 0.0243(17) Uani 1 1 d . . .
H36A H 0.1231 -0.3651 0.2770 0.029 Uiso 1 1 calc R . .
C37 C 0.18427(17) -0.1296(4) 0.3936(3) 0.0207(17) Uani 1 1 d . . .
C38 C 0.18352(18) -0.1025(4) 0.4489(3) 0.0256(18) Uani 1 1 d . . .
H38A H 0.1637 -0.0964 0.4658 0.031 Uiso 1 1 calc R . .
C39 C 0.2109(2) -0.0841(5) 0.4804(4) 0.031(2) Uani 1 1 d . . .
H39A H 0.2100 -0.0674 0.5189 0.037 Uiso 1 1 calc R . .
C40 C 0.24004(19) -0.0904(5) 0.4552(4) 0.033(2) Uani 1 1 d . . .
H40A H 0.2591 -0.0776 0.4763 0.040 Uiso 1 1 calc R . .
C41 C 0.24091(19) -0.1148(5) 0.4004(4) 0.036(2) Uani 1 1 d . . .
H41A H 0.2607 -0.1184 0.3830 0.043 Uiso 1 1 calc R . .
C42 C 0.21353(18) -0.1349(5) 0.3692(4) 0.0278(19) Uani 1 1 d . . .
H42A H 0.2148 -0.1524 0.3308 0.033 Uiso 1 1 calc R . .
C43 C 0.15829(18) -0.1966(5) 0.2887(3) 0.0266(18) Uani 1 1 d . . .
C44 C 0.17821(19) -0.2599(5) 0.2928(4) 0.0295(19) Uani 1 1 d . . .
H44A H 0.1870 -0.2751 0.3293 0.035 Uiso 1 1 calc R . .
C45 C 0.1853(2) -0.3004(6) 0.2450(4) 0.045(2) Uani 1 1 d . . .
H45A H 0.1989 -0.3433 0.2486 0.054 Uiso 1 1 calc R . .
C46 C 0.1729(2) -0.2797(6) 0.1915(4) 0.049(3) Uani 1 1 d . . .
H46A H 0.1782 -0.3076 0.1585 0.059 Uiso 1 1 calc R . .
C47 C 0.1532(2) -0.2189(6) 0.1868(4) 0.040(2) Uani 1 1 d . . .
H47A H 0.1442 -0.2048 0.1502 0.048 Uiso 1 1 calc R . .
C48 C 0.14597(19) -0.1773(5) 0.2348(3) 0.031(2) Uani 1 1 d . . .
H48A H 0.1323 -0.1346 0.2306 0.037 Uiso 1 1 calc R . .
C49 C 0.14974(17) -0.2408(4) 0.5198(3) 0.0217(17) Uani 1 1 d . . .
C50 C 0.1296(2) -0.1806(5) 0.5307(4) 0.031(2) Uani 1 1 d . . .
H50A H 0.1134 -0.1671 0.5029 0.038 Uiso 1 1 calc R . .
C51 C 0.1329(3) -0.1399(6) 0.5811(4) 0.049(3) Uani 1 1 d . . .
H51A H 0.1189 -0.0990 0.5882 0.059 Uiso 1 1 calc R . .
C52 C 0.1565(3) -0.1588(7) 0.6213(4) 0.056(3) Uani 1 1 d . . .
H52A H 0.1589 -0.1305 0.6559 0.068 Uiso 1 1 calc R . .
C53 C 0.1766(2) -0.2188(6) 0.6111(4) 0.045(3) Uani 1 1 d . . .
H53A H 0.1927 -0.2318 0.6391 0.054 Uiso 1 1 calc R . .
C54 C 0.17346(19) -0.2608(5) 0.5604(3) 0.0275(19) Uani 1 1 d . . .
H54A H 0.1873 -0.3022 0.5537 0.033 Uiso 1 1 calc R . .
C55 C 0.17954(17) -0.3367(4) 0.4339(3) 0.0213(17) Uani 1 1 d . . .
C56 C 0.18010(18) -0.4015(4) 0.3998(3) 0.0251(18) Uani 1 1 d . . .
H56A H 0.1612 -0.4293 0.3915 0.030 Uiso 1 1 calc R . .
C57 C 0.20822(19) -0.4257(5) 0.3780(3) 0.0285(19) Uani 1 1 d . . .
H57A H 0.2087 -0.4704 0.3552 0.034 Uiso 1 1 calc R . .
C58 C 0.23522(19) -0.3853(5) 0.3894(4) 0.033(2) Uani 1 1 d . . .
H58A H 0.2545 -0.4023 0.3744 0.040 Uiso 1 1 calc R . .
C59 C 0.23518(18) -0.3199(5) 0.4223(3) 0.0288(19) Uani 1 1 d . . .
H59A H 0.2542 -0.2920 0.4294 0.035 Uiso 1 1 calc R . .
C60 C 0.20728(17) -0.2952(5) 0.4450(3) 0.0241(17) Uani 1 1 d . . .
H60A H 0.2070 -0.2505 0.4678 0.029 Uiso 1 1 calc R . .
C61 C 0.14603(17) -0.4352(4) 0.5489(3) 0.0224(17) Uani 1 1 d . . .
C62 C 0.17000(17) -0.4862(4) 0.5354(4) 0.0251(18) Uani 1 1 d . . .
H62A H 0.1721 -0.5011 0.4966 0.030 Uiso 1 1 calc R . .
C63 C 0.19068(19) -0.5151(5) 0.5775(4) 0.033(2) Uani 1 1 d . . .
H63A H 0.2073 -0.5483 0.5676 0.039 Uiso 1 1 calc R . .
C64 C 0.1869(2) -0.4951(6) 0.6343(4) 0.041(2) Uani 1 1 d . . .
H64A H 0.2004 -0.5165 0.6637 0.050 Uiso 1 1 calc R . .
C65 C 0.1636(2) -0.4444(6) 0.6482(4) 0.040(2) Uani 1 1 d . . .
H65A H 0.1614 -0.4303 0.6871 0.048 Uiso 1 1 calc R . .
C66 C 0.14309(18) -0.4134(5) 0.6056(3) 0.0277(19) Uani 1 1 d . . .
H66A H 0.1273 -0.3778 0.6153 0.033 Uiso 1 1 calc R . .
C67 C 0.08440(17) -0.3652(4) 0.5279(3) 0.0210(17) Uani 1 1 d . . .
C68 C 0.07018(17) -0.2959(5) 0.5130(3) 0.0220(17) Uani 1 1 d . . .
H68A H 0.0799 -0.2635 0.4864 0.026 Uiso 1 1 calc R . .
C69 C 0.04220(18) -0.2736(5) 0.5364(3) 0.0267(18) Uani 1 1 d . . .
H69A H 0.0328 -0.2262 0.5259 0.032 Uiso 1 1 calc R . .
C70 C 0.02792(19) -0.3208(5) 0.5753(4) 0.033(2) Uani 1 1 d . . .
H70A H 0.0086 -0.3057 0.5913 0.040 Uiso 1 1 calc R . .
C71 C 0.04169(18) -0.3898(5) 0.5910(3) 0.0282(19) Uani 1 1 d . . .
H71A H 0.0319 -0.4217 0.6178 0.034 Uiso 1 1 calc R . .
C72 C 0.06990(17) -0.4122(5) 0.5672(3) 0.0223(17) Uani 1 1 d . . .
H72A H 0.0793 -0.4597 0.5778 0.027 Uiso 1 1 calc R . .
C73 C 0.0805(2) 0.1001(6) 0.2525(5) 0.048(3) Uani 1 1 d . . .
C74 C 0.0601(3) 0.1578(7) 0.2391(5) 0.071(4) Uani 1 1 d . . .
H74A H 0.0584 0.1993 0.2648 0.085 Uiso 1 1 calc R . .
C75 C 0.0415(4) 0.1568(8) 0.1876(6) 0.093(5) Uani 1 1 d . . .
H75A H 0.0276 0.1982 0.1791 0.112 Uiso 1 1 calc R . .
C76 C 0.0428(3) 0.0999(7) 0.1507(6) 0.074(4) Uani 1 1 d . . .
H76A H 0.0295 0.1003 0.1168 0.089 Uiso 1 1 calc R . .
C77 C 0.0633(3) 0.0401(7) 0.1609(5) 0.060(3) Uani 1 1 d . . .
H77A H 0.0645 -0.0004 0.1341 0.072 Uiso 1 1 calc R . .
C78 C 0.0821(3) 0.0404(7) 0.2115(4) 0.052(3) Uani 1 1 d . . .
H78A H 0.0964 -0.0006 0.2188 0.062 Uiso 1 1 calc R . .
C79 C 0.0832(2) 0.1286(5) 0.3757(5) 0.043(2) Uani 1 1 d . . .
C80 C 0.0503(3) 0.1308(7) 0.3726(5) 0.063(3) Uani 1 1 d . . .
H80A H 0.0386 0.1188 0.3380 0.076 Uiso 1 1 calc R . .
C81 C 0.0349(4) 0.1515(9) 0.4227(7) 0.095(5) Uani 1 1 d . . .
H81A H 0.0124 0.1523 0.4222 0.114 Uiso 1 1 calc R . .
C82 C 0.0521(4) 0.1705(8) 0.4725(6) 0.090(5) Uani 1 1 d . . .
H82A H 0.0416 0.1877 0.5052 0.108 Uiso 1 1 calc R . .
C83 C 0.0831(4) 0.1646(8) 0.4743(6) 0.082(4) Uani 1 1 d . . .
H83A H 0.0951 0.1742 0.5090 0.098 Uiso 1 1 calc R . .
C84 C 0.0981(3) 0.1443(7) 0.4254(5) 0.059(3) Uani 1 1 d . . .
H84A H 0.1205 0.1414 0.4275 0.071 Uiso 1 1 calc R . .
C85 C 0.1358(2) 0.1672(5) 0.3109(5) 0.045(3) Uani 1 1 d . . .
H85A H 0.1498 0.1664 0.3461 0.054 Uiso 1 1 calc R . .
H85B H 0.1489 0.1532 0.2785 0.054 Uiso 1 1 calc R . .
C86 C 0.1240(3) 0.2495(5) 0.3013(5) 0.059(3) Uani 1 1 d . . .
H86A H 0.1422 0.2837 0.2985 0.089 Uiso 1 1 calc R . .
H86B H 0.1115 0.2651 0.3336 0.089 Uiso 1 1 calc R . .
H86C H 0.1108 0.2520 0.2658 0.089 Uiso 1 1 calc R . .
C87 C 0.07466(19) -0.2092(5) 0.2638(4) 0.0272(18) Uani 1 1 d . . .
C88 C 0.0601(2) -0.2016(6) 0.2067(4) 0.043(2) Uani 1 1 d . . .
H88A H 0.0505 -0.1966 0.1693 0.064 Uiso 1 1 calc R . .
H88B H 0.0480 -0.2479 0.1973 0.064 Uiso 1 1 d R . .
H88C H 0.0767 -0.1949 0.1792 0.064 Uiso 1 1 d R . .
N2 N 0.1052(4) 0.0973(10) 0.6063(7) 0.116(5) Uani 1 1 d . . .
C89 C 0.1291(4) 0.0758(8) 0.5858(7) 0.084(4) Uani 1 1 d . . .
C90 C 0.1586(5) 0.0510(9) 0.5621(8) 0.123(7) Uani 1 1 d . . .
H90 H 0.1779 0.0348 0.5466 0.147 Uiso 1 1 calc R . .
C91 C 0.2392(3) 0.1414(13) 0.4865(8) 0.084(6) Uani 0.50 1 d PD . .
H91A H 0.2233 0.1771 0.5006 0.101 Uiso 0.50 1 calc PR . .
H91B H 0.2280 0.1045 0.4607 0.101 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.25580(17) 0.0920(4) 0.5447(3) 0.0793(14) Uani 0.50 1 d PD . .
Cl2 Cl 0.26573(16) 0.1930(4) 0.4462(3) 0.0793(14) Uani 0.50 1 d PD . .
C92 C 0.2647(6) 0.1900(6) 0.6934(8) 0.084(6) Uani 0.50 1 d PD . .
H92A H 0.2415 0.1972 0.6883 0.101 Uiso 0.50 1 calc PR . .
H92B H 0.2737 0.1854 0.6552 0.101 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.2820(2) 0.2652(4) 0.7318(4) 0.109(2) Uani 0.50 1 d PD . .
Cl4 Cl 0.2734(2) 0.1100(4) 0.7349(4) 0.109(2) Uani 0.50 1 d PD . .
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'
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'
Pd Pd -0.9988 1.0072 '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'
Cl Cl 0.1484 0.1585 '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
C1 Pt1 C7 85.3(3) . . ?
C1 Pt1 P3 175.5(2) . . ?
C7 Pt1 P3 96.7(2) . . ?
C1 Pt1 P1 91.7(2) . . ?
C7 Pt1 P1 176.9(2) . . ?
P3 Pt1 P1 86.34(7) . . ?
C13 Pt2 C19 175.9(4) . . ?
C13 Pt2 P5 87.9(2) . . ?
C19 Pt2 P5 90.0(2) . . ?
C13 Pt2 P2 93.5(2) . . ?
C19 Pt2 P2 88.6(2) . . ?
P5 Pt2 P2 178.34(7) . . ?
N1 Pd P4 177.02(18) . . ?
N1 Pd P1 86.38(17) . . ?
P4 Pd P1 90.77(7) . . ?
N1 Pd P2 82.82(17) . . ?
P4 Pd P2 99.71(7) . . ?
P1 Pd P2 161.90(7) . . ?
C25 P1 C31 103.1(3) . . ?
C25 P1 Pt1 109.4(3) . . ?
C31 P1 Pt1 110.8(2) . . ?
C25 P1 Pd 110.5(3) . . ?
C31 P1 Pd 103.0(3) . . ?
Pt1 P1 Pd 118.74(8) . . ?
C43 P2 C37 103.7(3) . . ?
C43 P2 Pt2 113.1(3) . . ?
C37 P2 Pt2 104.8(2) . . ?
C43 P2 Pd 91.1(3) . . ?
C37 P2 Pd 120.4(2) . . ?
Pt2 P2 Pd 121.60(8) . . ?
C61 P3 C67 105.7(3) . . ?
C61 P3 P4 105.2(3) . . ?
C67 P3 P4 104.9(3) . . ?
C61 P3 Pt1 120.5(3) . . ?
C67 P3 Pt1 111.2(2) . . ?
P4 P3 Pt1 108.10(9) . . ?
C55 P4 C49 107.6(3) . . ?
C55 P4 P3 102.4(3) . . ?
C49 P4 P3 101.9(3) . . ?
C55 P4 Pd 110.3(2) . . ?
C49 P4 Pd 121.9(3) . . ?
P3 P4 Pd 110.86(9) . . ?
C79 P5 C85 103.3(5) . . ?
C79 P5 C73 107.6(5) . . ?
C85 P5 C73 106.0(5) . . ?
C79 P5 Pt2 111.6(3) . . ?
C85 P5 Pt2 114.5(3) . . ?
C73 P5 Pt2 113.0(3) . . ?
C87 N1 Pd 168.4(7) . . ?
C2 C1 C6 114.7(7) . . ?
C2 C1 Pt1 122.2(6) . . ?
C6 C1 Pt1 123.0(5) . . ?
F1 C2 C1 120.3(7) . . ?
F1 C2 C3 116.7(7) . . ?
C1 C2 C3 123.0(7) . . ?
C4 C3 F2 119.4(7) . . ?
C4 C3 C2 120.5(7) . . ?
F2 C3 C2 120.1(7) . . ?
F3 C4 C3 121.1(7) . . ?
F3 C4 C5 120.4(7) . . ?
C3 C4 C5 118.4(7) . . ?
F4 C5 C6 121.3(7) . . ?
F4 C5 C4 118.4(7) . . ?
C6 C5 C4 120.3(7) . . ?
F5 C6 C5 116.7(7) . . ?
F5 C6 C1 120.3(7) . . ?
C5 C6 C1 123.0(7) . . ?
C12 C7 C8 113.9(7) . . ?
C12 C7 Pt1 123.8(6) . . ?
C8 C7 Pt1 122.3(6) . . ?
C9 C8 F6 115.6(8) . . ?
C9 C8 C7 124.3(8) . . ?
F6 C8 C7 120.1(7) . . ?
C8 C9 F7 121.8(8) . . ?
C8 C9 C10 119.6(8) . . ?
F7 C9 C10 118.6(8) . . ?
F8 C10 C11 120.4(9) . . ?
F8 C10 C9 121.3(8) . . ?
C11 C10 C9 118.3(8) . . ?
F9 C11 C12 120.9(8) . . ?
F9 C11 C10 118.8(8) . . ?
C12 C11 C10 120.3(8) . . ?
F10 C12 C11 116.3(7) . . ?
F10 C12 C7 120.0(7) . . ?
C11 C12 C7 123.6(8) . . ?
C14 C13 C18 113.7(8) . . ?
C14 C13 Pt2 128.9(7) . . ?
C18 C13 Pt2 117.3(6) . . ?
F11 C14 C13 119.4(8) . . ?
F11 C14 C15 116.7(8) . . ?
C13 C14 C15 123.9(9) . . ?
F12 C15 C16 124.3(9) . . ?
F12 C15 C14 119.0(9) . . ?
C16 C15 C14 116.7(8) . . ?
C17 C16 F13 122.3(11) . . ?
C17 C16 C15 121.5(10) . . ?
F13 C16 C15 116.2(9) . . ?
C16 C17 C18 122.0(11) . . ?
C16 C17 F14 118.9(10) . . ?
C18 C17 F14 119.1(10) . . ?
F15 C18 C17 118.8(10) . . ?
F15 C18 C13 118.8(7) . . ?
C17 C18 C13 122.2(10) . . ?
C24 C19 C20 114.3(9) . . ?
C24 C19 Pt2 120.1(8) . . ?
C20 C19 Pt2 125.6(7) . . ?
F16 C20 C21 117.4(9) . . ?
F16 C20 C19 122.3(8) . . ?
C21 C20 C19 120.3(10) . . ?
C22 C21 F17 121.7(12) . . ?
C22 C21 C20 120.5(12) . . ?
F17 C21 C20 117.7(11) . . ?
C21 C22 C23 124.2(11) . . ?
C21 C22 F18 120.7(14) . . ?
C23 C22 F18 114.9(11) . . ?
F19 C23 C22 125.4(10) . . ?
F19 C23 C24 120.6(12) . . ?
C22 C23 C24 113.9(10) . . ?
C19 C24 F20 119.9(10) . . ?
C19 C24 C23 126.4(11) . . ?
F20 C24 C23 113.6(10) . . ?
C26 C25 C30 118.9(7) . . ?
C26 C25 P1 119.9(6) . . ?
C30 C25 P1 121.2(6) . . ?
C25 C26 C27 120.0(7) . . ?
C28 C27 C26 120.1(8) . . ?
C27 C28 C29 120.6(7) . . ?
C28 C29 C30 119.3(8) . . ?
C29 C30 C25 121.1(7) . . ?
C36 C31 C32 119.3(7) . . ?
C36 C31 P1 119.5(6) . . ?
C32 C31 P1 121.2(6) . . ?
C31 C32 C33 119.9(8) . . ?
C34 C33 C32 120.7(8) . . ?
C35 C34 C33 118.8(8) . . ?
C36 C35 C34 120.7(8) . . ?
C35 C36 C31 120.6(7) . . ?
C38 C37 C42 117.9(7) . . ?
C38 C37 P2 118.5(6) . . ?
C42 C37 P2 123.4(6) . . ?
C37 C38 C39 121.6(8) . . ?
C38 C39 C40 119.5(8) . . ?
C41 C40 C39 119.2(8) . . ?
C40 C41 C42 121.4(8) . . ?
C41 C42 C37 120.3(8) . . ?
C48 C43 C44 117.3(8) . . ?
C48 C43 P2 122.3(7) . . ?
C44 C43 P2 120.2(6) . . ?
C45 C44 C43 120.8(9) . . ?
C44 C45 C46 120.8(10) . . ?
C47 C46 C45 119.3(9) . . ?
C46 C47 C48 120.4(9) . . ?
C43 C48 C47 121.4(9) . . ?
C50 C49 C54 119.8(7) . . ?
C50 C49 P4 119.0(6) . . ?
C54 C49 P4 121.0(6) . . ?
C51 C50 C49 120.8(9) . . ?
C52 C51 C50 119.8(10) . . ?
C51 C52 C53 119.9(9) . . ?
C52 C53 C54 120.9(9) . . ?
C49 C54 C53 118.7(8) . . ?
C56 C55 C60 119.8(7) . . ?
C56 C55 P4 119.8(6) . . ?
C60 C55 P4 119.9(6) . . ?
C57 C56 C55 120.0(8) . . ?
C58 C57 C56 119.8(8) . . ?
C57 C58 C59 121.3(8) . . ?
C58 C59 C60 119.7(8) . . ?
C59 C60 C55 119.3(8) . . ?
C66 C61 C62 119.3(7) . . ?
C66 C61 P3 121.8(6) . . ?
C62 C61 P3 118.9(6) . . ?
C63 C62 C61 121.1(8) . . ?
C62 C63 C64 119.3(8) . . ?
C65 C64 C63 120.2(8) . . ?
C64 C65 C66 120.7(9) . . ?
C61 C66 C65 119.4(8) . . ?
C68 C67 C72 118.8(7) . . ?
C68 C67 P3 122.6(6) . . ?
C72 C67 P3 118.3(6) . . ?
C69 C68 C67 121.1(7) . . ?
C68 C69 C70 119.8(8) . . ?
C71 C70 C69 120.2(7) . . ?
C70 C71 C72 119.9(8) . . ?
C71 C72 C67 120.2(7) . . ?
C74 C73 C78 116.2(10) . . ?
C74 C73 P5 125.1(9) . . ?
C78 C73 P5 118.6(7) . . ?
C73 C74 C75 120.9(12) . . ?
C76 C75 C74 121.9(12) . . ?
C75 C76 C77 120.7(12) . . ?
C76 C77 C78 118.3(11) . . ?
C77 C78 C73 122.0(11) . . ?
C84 C79 C80 118.5(10) . . ?
C84 C79 P5 118.9(8) . . ?
C80 C79 P5 122.2(8) . . ?
C79 C80 C81 117.5(12) . . ?
C82 C81 C80 120.8(13) . . ?
C83 C82 C81 119.6(12) . . ?
C82 C83 C84 119.3(13) . . ?
C79 C84 C83 124.2(12) . . ?
C86 C85 P5 116.5(7) . . ?
N1 C87 C88 176.1(9) . . ?
N2 C89 C90 178.5(18) . . ?
Cl1 C91 Cl2 115.8(7) . . ?
Cl4 C92 Cl3 104.5(7) . . ?
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
Pt1 C1 2.059(7) . ?
Pt1 C7 2.069(7) . ?
Pt1 P3 2.267(2) . ?
Pt1 P1 2.337(2) . ?
Pt2 C13 2.056(8) . ?
Pt2 C19 2.066(8) . ?
Pt2 P5 2.288(2) . ?
Pt2 P2 2.361(2) . ?
Pd N1 2.074(6) . ?
Pd P4 2.2528(19) . ?
Pd P1 2.419(2) . ?
Pd P2 2.430(2) . ?
P1 C25 1.843(7) . ?
P1 C31 1.848(7) . ?
P2 C43 1.834(8) . ?
P2 C37 1.837(7) . ?
P3 C61 1.814(8) . ?
P3 C67 1.828(8) . ?
P3 P4 2.243(3) . ?
P4 C55 1.820(7) . ?
P4 C49 1.832(8) . ?
P5 C79 1.798(10) . ?
P5 C85 1.816(9) . ?
P5 C73 1.817(10) . ?
N1 C87 1.124(10) . ?
F1 C2 1.356(9) . ?
F2 C3 1.357(9) . ?
F3 C4 1.345(9) . ?
F4 C5 1.345(8) . ?
F5 C6 1.355(8) . ?
F6 C8 1.365(9) . ?
F7 C9 1.363(9) . ?
F8 C10 1.349(10) . ?
F9 C11 1.362(10) . ?
F10 C12 1.352(9) . ?
F11 C14 1.341(11) . ?
F12 C15 1.322(10) . ?
F13 C16 1.374(11) . ?
F14 C17 1.381(12) . ?
F15 C18 1.327(11) . ?
F16 C20 1.302(11) . ?
F17 C21 1.348(14) . ?
F18 C22 1.398(13) . ?
F19 C23 1.302(13) . ?
F20 C24 1.372(13) . ?
C1 C2 1.375(10) . ?
C1 C6 1.389(10) . ?
C2 C3 1.382(11) . ?
C3 C4 1.351(11) . ?
C4 C5 1.380(11) . ?
C5 C6 1.365(11) . ?
C7 C12 1.372(11) . ?
C7 C8 1.386(11) . ?
C8 C9 1.358(12) . ?
C9 C10 1.377(13) . ?
C10 C11 1.370(13) . ?
C11 C12 1.369(12) . ?
C13 C14 1.358(11) . ?
C13 C18 1.455(13) . ?
C14 C15 1.438(13) . ?
C15 C16 1.379(15) . ?
C16 C17 1.317(14) . ?
C17 C18 1.343(14) . ?
C19 C24 1.341(14) . ?
C19 C20 1.427(14) . ?
C20 C21 1.407(14) . ?
C21 C22 1.313(17) . ?
C22 C23 1.356(18) . ?
C23 C24 1.449(15) . ?
C25 C26 1.387(10) . ?
C25 C30 1.395(11) . ?
C26 C27 1.403(11) . ?
C27 C28 1.373(12) . ?
C28 C29 1.384(11) . ?
C29 C30 1.387(10) . ?
C31 C36 1.378(10) . ?
C31 C32 1.388(11) . ?
C32 C33 1.389(12) . ?
C33 C34 1.383(12) . ?
C34 C35 1.383(12) . ?
C35 C36 1.378(11) . ?
C37 C38 1.379(11) . ?
C37 C42 1.390(11) . ?
C38 C39 1.383(11) . ?
C39 C40 1.393(12) . ?
C40 C41 1.351(12) . ?
C41 C42 1.386(11) . ?
C43 C48 1.382(11) . ?
C43 C44 1.396(11) . ?
C44 C45 1.370(12) . ?
C45 C46 1.379(14) . ?
C46 C47 1.356(14) . ?
C47 C48 1.384(12) . ?
C49 C50 1.388(11) . ?
C49 C54 1.393(11) . ?
C50 C51 1.379(12) . ?
C51 C52 1.378(15) . ?
C52 C53 1.382(15) . ?
C53 C54 1.396(12) . ?
C55 C56 1.389(11) . ?
C55 C60 1.395(11) . ?
C56 C57 1.382(11) . ?
C57 C58 1.360(12) . ?
C58 C59 1.381(12) . ?
C59 C60 1.385(11) . ?
C61 C66 1.390(11) . ?
C61 C62 1.399(11) . ?
C62 C63 1.381(11) . ?
C63 C64 1.390(13) . ?
C64 C65 1.378(13) . ?
C65 C66 1.399(11) . ?
C67 C68 1.392(11) . ?
C67 C72 1.398(10) . ?
C68 C69 1.383(10) . ?
C69 C70 1.387(11) . ?
C70 C71 1.386(12) . ?
C71 C72 1.396(11) . ?
C73 C74 1.357(14) . ?
C73 C78 1.425(15) . ?
C74 C75 1.407(15) . ?
C75 C76 1.322(17) . ?
C76 C77 1.373(16) . ?
C77 C78 1.394(14) . ?
C79 C84 1.323(14) . ?
C79 C80 1.389(14) . ?
C80 C81 1.414(16) . ?
C81 C82 1.38(2) . ?
C82 C83 1.316(18) . ?
C83 C84 1.378(16) . ?
C85 C86 1.541(12) . ?
C87 C88 1.449(11) . ?
N2 C89 1.201(19) . ?
C89 C90 1.46(2) . ?
C91 Cl1 1.732(7) . ?
C91 Cl2 1.750(7) . ?
C92 Cl4 1.737(7) . ?
C92 Cl3 1.739(7) . ?
