#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/50/7015063.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_7015063
loop_
_publ_author_name
'Eller, Sylvia'
'Trettenbrein, Barbara'
'Fessler, Markus'
'Haringer, Stephan'
'Ruggenthaler, Martin'
'Gutmann, Rene'
'van der Veer, Wytze E.'
'Kopacka, Holger'
'Müller, Thomas'
'Obendorf, Dagmar'
'Brüggeller, Peter'
_publ_section_title
;
 Surprising photochemical reactivity and visible light-driven energy
 transfer in heterodimetallic complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3815
_journal_page_last               3829
_journal_paper_doi               10.1039/c0dt00253d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C75.5 H65 Cl9 F12 N4 O0.50 P6 Pt Ru'
_chemical_formula_sum            'C75.5 H65 Cl9 F12 N4 O0.5 P6 Pt Ru'
_chemical_formula_weight         2065.34
_chemical_name_common            (Ru(bpy)2(dppcb)PtCl2)(PF6)2
_chemical_name_systematic        '[Ru(bpy)2(dppcb)PtCl2](PF6)2'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 117.403(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.4693(8)
_cell_length_b                   13.6167(5)
_cell_length_c                   25.9759(9)
_cell_measurement_reflns_used    62207
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      0.998
_cell_volume                     7997.8(5)
_computing_cell_refinement       'Denzo and Scalepack'
_computing_data_collection       'Kappa CCD'
_computing_data_reduction        'Denzo and Scalepack'
_computing_molecular_graphics    'SHELXTL-NT V6.1'
_computing_publication_material  'SHELXTL-NT V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'Kappa 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  0.0390
_diffrn_reflns_av_sigmaI/netI    0.1326
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            24187
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.432
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Otwinowski et al, 1997'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4092.0
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1001
_refine_ls_number_reflns         13725
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0740P)²+ 3.6953P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1522
_refine_ls_wR_factor_ref         0.1797
_reflns_number_gt                5401
_reflns_number_total             14011
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            c0dt00253d.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'C75.5 H65 Cl9 F12 N4 O0.50 P6 Pt Ru'
_cod_database_code               7015063
#BEGIN Tags that were not found in dictionaries:
_diffrn_measured_fraction        0.990
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 0.171609(18) 0.64291(3) 0.21503(2) 0.04753(16) Uani 1 1 d . . .
Ru1 Ru 0.27685(3) 0.13698(6) 0.29483(4) 0.0430(2) Uani 1 1 d . . .
P1 P 0.18223(15) 0.5152(2) 0.16841(14) 0.0602(9) Uani 1 1 d . . .
P2 P 0.24108(12) 0.58022(18) 0.29685(13) 0.0424(7) Uani 1 1 d . . .
P3 P 0.26324(12) 0.26434(19) 0.34663(13) 0.0468(7) Uani 1 1 d . . .
P4 P 0.19677(12) 0.20767(19) 0.21756(13) 0.0477(7) Uani 1 1 d . . .
Cl1 Cl 0.10101(15) 0.7126(2) 0.12756(15) 0.0856(11) Uani 1 1 d . . .
Cl2 Cl 0.16469(14) 0.7814(2) 0.26401(15) 0.0696(9) Uani 1 1 d . . .
C1 C 0.2238(5) 0.4176(7) 0.2209(5) 0.053(3) Uani 1 1 d . . .
H1A H 0.2526 0.3864 0.2103 0.063 Uiso 1 1 calc R . .
C2 C 0.2547(4) 0.4489(6) 0.2859(4) 0.040(2) Uani 1 1 d . . .
H2A H 0.2975 0.4339 0.3044 0.048 Uiso 1 1 calc R . .
C3 C 0.2191(4) 0.3665(7) 0.2991(5) 0.047(3) Uani 1 1 d . . .
H3A H 0.1911 0.3944 0.3118 0.056 Uiso 1 1 calc R . .
C4 C 0.1880(5) 0.3391(7) 0.2334(4) 0.047(3) Uani 1 1 d . . .
H4A H 0.1456 0.3574 0.2154 0.056 Uiso 1 1 calc R . .
N1 N 0.3349(3) 0.1999(6) 0.2691(4) 0.047(2) Uani 1 1 d . . .
N2 N 0.2826(4) 0.0264(6) 0.2411(4) 0.052(2) Uani 1 1 d . . .
N3 N 0.2376(4) 0.0406(6) 0.3317(4) 0.050(2) Uani 1 1 d . . .
N4 N 0.3508(4) 0.0625(6) 0.3609(4) 0.050(2) Uani 1 1 d . . .
C11 C 0.1145(8) 0.4572(11) 0.1152(7) 0.109(7) Uani 1 1 d . . .
C12 C 0.1151(10) 0.4099(12) 0.0646(7) 0.167(11) Uani 1 1 d . . .
H12A H 0.1495 0.4063 0.0599 0.200 Uiso 1 1 calc R . .
C13 C 0.0642(14) 0.373(2) 0.0264(12) 0.187(2) Uani 1 1 d . . .
H13A H 0.0632 0.3463 -0.0074 0.224 Uiso 1 1 calc R . .
C14 C 0.0145(19) 0.370(2) 0.0304(17) 0.173(4) Uani 1 1 d . . .
H14A H -0.0194 0.3389 0.0020 0.208 Uiso 1 1 calc R . .
C15 C 0.0143(9) 0.4140(14) 0.0781(12) 0.173(12) Uani 1 1 d . . .
H15A H -0.0201 0.4115 0.0829 0.207 Uiso 1 1 calc R . .
C16 C 0.0649(8) 0.4628(12) 0.1199(7) 0.109(6) Uani 1 1 d . . .
H16A H 0.0634 0.4984 0.1502 0.131 Uiso 1 1 calc R . .
C21 C 0.2278(10) 0.5488(9) 0.1341(7) 0.100(6) Uani 1 1 d . . .
C22 C 0.2869(9) 0.5346(18) 0.1607(10) 0.144(8) Uani 1 1 d . . .
H22A H 0.3068 0.5054 0.1975 0.172 Uiso 1 1 calc R . .
C23 C 0.3176(13) 0.567(2) 0.1288(13) 0.200(13) Uani 1 1 d . . .
H23A H 0.3583 0.5550 0.1438 0.240 Uiso 1 1 calc R . .
C24 C 0.289(2) 0.615(2) 0.079(2) 0.24(2) Uani 1 1 d . . .
H24A H 0.3112 0.6340 0.0595 0.292 Uiso 1 1 calc R . .
C25 C 0.233(2) 0.636(2) 0.0543(13) 0.218(18) Uani 1 1 d . . .
H25A H 0.2160 0.6762 0.0211 0.262 Uiso 1 1 calc R . .
C26 C 0.1979(12) 0.5974(15) 0.0787(10) 0.171(10) Uani 1 1 d . . .
H26A H 0.1565 0.6032 0.0594 0.205 Uiso 1 1 calc R . .
C31 C 0.3150(5) 0.6312(7) 0.3190(5) 0.051(3) Uani 1 1 d . . .
C32 C 0.3630(5) 0.5908(9) 0.3619(5) 0.060(3) Uani 1 1 d . . .
H32A H 0.3587 0.5358 0.3815 0.072 Uiso 1 1 calc R . .
C33 C 0.4191(5) 0.6282(11) 0.3782(6) 0.081(4) Uani 1 1 d . . .
H33A H 0.4529 0.5988 0.4079 0.097 Uiso 1 1 calc R . .
C34 C 0.4235(6) 0.7081(13) 0.3499(7) 0.091(5) Uani 1 1 d . . .
H34A H 0.4614 0.7342 0.3610 0.109 Uiso 1 1 calc R . .
C35 C 0.3767(6) 0.7534(10) 0.3065(7) 0.086(5) Uani 1 1 d . . .
H35A H 0.3816 0.8077 0.2868 0.103 Uiso 1 1 calc R . .
C36 C 0.3208(5) 0.7154(8) 0.2925(6) 0.070(4) Uani 1 1 d . . .
H36A H 0.2869 0.7475 0.2648 0.084 Uiso 1 1 calc R . .
C41 C 0.2266(4) 0.5897(7) 0.3579(5) 0.051(3) Uani 1 1 d . . .
C42 C 0.1711(5) 0.5556(8) 0.3501(6) 0.061(3) Uani 1 1 d . . .
H42A H 0.1431 0.5311 0.3140 0.074 Uiso 1 1 calc R . .
C43 C 0.1589(6) 0.5589(10) 0.3962(8) 0.087(5) Uani 1 1 d . . .
H43A H 0.1221 0.5362 0.3916 0.104 Uiso 1 1 calc R . .
C44 C 0.2004(6) 0.5958(11) 0.4502(7) 0.081(4) Uani 1 1 d . . .
H44A H 0.1926 0.5937 0.4821 0.098 Uiso 1 1 calc R . .
C45 C 0.2519(6) 0.6344(9) 0.4560(6) 0.069(3) Uani 1 1 d . . .
H45A H 0.2784 0.6641 0.4911 0.083 Uiso 1 1 calc R . .
C46 C 0.2656(5) 0.6301(7) 0.4094(5) 0.051(3) Uani 1 1 d . . .
H46A H 0.3019 0.6552 0.4139 0.062 Uiso 1 1 calc R . .
C51 C 0.3258(4) 0.3282(7) 0.4071(5) 0.043(3) Uani 1 1 d . . .
C52 C 0.3833(5) 0.3095(8) 0.4214(5) 0.057(3) Uani 1 1 d . . .
H52A H 0.3926 0.2617 0.4008 0.069 Uiso 1 1 calc R . .
C53 C 0.4277(6) 0.3599(10) 0.4655(7) 0.084(4) Uani 1 1 d . . .
H53A H 0.4672 0.3475 0.4740 0.100 Uiso 1 1 calc R . .
C54 C 0.4165(6) 0.4257(9) 0.4966(6) 0.076(4) Uani 1 1 d . . .
H54A H 0.4476 0.4596 0.5267 0.092 Uiso 1 1 calc R . .
C55 C 0.3588(6) 0.4444(9) 0.4845(5) 0.067(3) Uani 1 1 d . . .
H55A H 0.3509 0.4902 0.5072 0.080 Uiso 1 1 calc R . .
C56 C 0.3130(5) 0.3977(8) 0.4405(5) 0.056(3) Uani 1 1 d . . .
H56A H 0.2738 0.4111 0.4323 0.067 Uiso 1 1 calc R . .
C61 C 0.2206(5) 0.2307(8) 0.3855(6) 0.059(3) Uani 1 1 d . . .
C62 C 0.2476(6) 0.1753(9) 0.4341(6) 0.070(4) Uani 1 1 d . . .
H62A H 0.2877 0.1583 0.4490 0.084 Uiso 1 1 calc R . .
C63 C 0.2149(9) 0.1441(12) 0.4615(7) 0.101(5) Uani 1 1 d . . .
H63A H 0.2329 0.1018 0.4935 0.121 Uiso 1 1 calc R . .
C64 C 0.1578(11) 0.1723(17) 0.4439(10) 0.132(9) Uani 1 1 d . . .
H64A H 0.1376 0.1559 0.4654 0.159 Uiso 1 1 calc R . .
C65 C 0.1319(8) 0.2239(14) 0.3952(10) 0.113(6) Uani 1 1 d . . .
H65A H 0.0915 0.2383 0.3807 0.135 Uiso 1 1 calc R . .
C66 C 0.1603(6) 0.2580(8) 0.3642(6) 0.071(4) Uani 1 1 d . . .
H66A H 0.1407 0.2971 0.3309 0.085 Uiso 1 1 calc R . .
C71 C 0.1971(5) 0.2087(8) 0.1462(5) 0.065(4) Uani 1 1 d . . .
C72 C 0.2448(5) 0.2473(8) 0.1409(5) 0.056(3) Uani 1 1 d . . .
H72A H 0.2754 0.2768 0.1737 0.067 Uiso 1 1 calc R . .
C73 C 0.2500(7) 0.2450(9) 0.0904(6) 0.078(4) Uani 1 1 d . . .
H73A H 0.2828 0.2724 0.0882 0.094 Uiso 1 1 calc R . .
C74 C 0.2042(10) 0.1999(14) 0.0430(8) 0.130(7) Uani 1 1 d . . .
H74A H 0.2065 0.1950 0.0080 0.156 Uiso 1 1 calc R . .
C75 C 0.1556(10) 0.1623(14) 0.0461(7) 0.138(8) Uani 1 1 d . . .
H75A H 0.1251 0.1317 0.0138 0.166 Uiso 1 1 calc R . .
C76 C 0.1527(7) 0.1704(10) 0.0973(6) 0.091(5) Uani 1 1 d . . .
H76A H 0.1183 0.1483 0.0986 0.110 Uiso 1 1 calc R . .
C81 C 0.1261(4) 0.1515(8) 0.2007(5) 0.056(3) Uani 1 1 d . . .
C82 C 0.1193(5) 0.0504(8) 0.1834(5) 0.063(3) Uani 1 1 d . . .
H82A H 0.1486 0.0199 0.1765 0.076 Uiso 1 1 calc R . .
C83 C 0.0710(5) -0.0022(9) 0.1767(6) 0.071(4) Uani 1 1 d . . .
H83A H 0.0695 -0.0702 0.1701 0.085 Uiso 1 1 calc R . .
C84 C 0.0250(7) 0.0430(12) 0.1796(9) 0.131(8) Uani 1 1 d . . .
H84A H -0.0103 0.0084 0.1696 0.158 Uiso 1 1 calc R . .
C85 C 0.0299(6) 0.1393(11) 0.1973(8) 0.105(6) Uani 1 1 d . . .
H85A H -0.0003 0.1677 0.2036 0.126 Uiso 1 1 calc R . .
C86 C 0.0789(6) 0.1951(10) 0.2060(7) 0.088(5) Uani 1 1 d . . .
H86A H 0.0805 0.2620 0.2155 0.105 Uiso 1 1 calc R . .
C1A C 0.3638(5) 0.2886(8) 0.2849(5) 0.054(3) Uani 1 1 d . . .
H1AA H 0.3555 0.3293 0.3094 0.065 Uiso 1 1 calc R . .
C1B C 0.4036(6) 0.3217(10) 0.2677(6) 0.071(4) Uani 1 1 d . . .
H1BA H 0.4222 0.3828 0.2808 0.086 Uiso 1 1 calc R . .
C1C C 0.4166(5) 0.2647(10) 0.2306(7) 0.079(4) Uani 1 1 d . . .
H1CA H 0.4423 0.2882 0.2166 0.095 Uiso 1 1 calc R . .
C1D C 0.3908(5) 0.1723(10) 0.2146(6) 0.068(3) Uani 1 1 d . . .
H1DA H 0.4008 0.1304 0.1918 0.081 Uiso 1 1 calc R . .
C1E C 0.3496(5) 0.1431(8) 0.2331(5) 0.055(3) Uani 1 1 d . . .
C2A C 0.2510(5) -0.0564(8) 0.2242(6) 0.061(3) Uani 1 1 d . . .
H2AA H 0.2282 -0.0743 0.2427 0.074 Uiso 1 1 calc R . .
C2B C 0.2500(6) -0.1176(8) 0.1808(6) 0.068(4) Uani 1 1 d . . .
H2BA H 0.2249 -0.1727 0.1686 0.082 Uiso 1 1 calc R . .
C2C C 0.2847(6) -0.0974(9) 0.1570(6) 0.076(4) Uani 1 1 d . . .
H2CA H 0.2864 -0.1409 0.1298 0.092 Uiso 1 1 calc R . .
C2D C 0.3193(6) -0.0108(9) 0.1721(6) 0.079(4) Uani 1 1 d . . .
H2DA H 0.3426 0.0063 0.1540 0.095 Uiso 1 1 calc R . .
C2E C 0.3172(5) 0.0484(8) 0.2154(5) 0.060(3) Uani 1 1 d . . .
C3A C 0.1799(5) 0.0392(8) 0.3207(5) 0.058(3) Uani 1 1 d . . .
H3AA H 0.1537 0.0853 0.2945 0.070 Uiso 1 1 calc R . .
C3B C 0.1581(6) -0.0287(10) 0.3471(5) 0.068(3) Uani 1 1 d . . .
H3BA H 0.1181 -0.0287 0.3387 0.082 Uiso 1 1 calc R . .
C3C C 0.1960(7) -0.0929(10) 0.3843(6) 0.082(4) Uani 1 1 d . . .
H3CA H 0.1819 -0.1411 0.4007 0.098 Uiso 1 1 calc R . .
C3D C 0.2557(7) -0.0906(8) 0.3995(6) 0.075(4) Uani 1 1 d . . .
H3DA H 0.2823 -0.1343 0.4273 0.090 Uiso 1 1 calc R . .
C3E C 0.2755(6) -0.0220(8) 0.3725(5) 0.059(3) Uani 1 1 d . . .
C4A C 0.4072(6) 0.0740(9) 0.3738(5) 0.068(4) Uani 1 1 d . . .
H4AA H 0.4174 0.1280 0.3577 0.081 Uiso 1 1 calc R . .
C4B C 0.4513(5) 0.0122(9) 0.4092(5) 0.069(4) Uani 1 1 d . . .
H4BA H 0.4905 0.0225 0.4159 0.083 Uiso 1 1 calc R . .
C4C C 0.4379(6) -0.0642(10) 0.4344(6) 0.082(4) Uani 1 1 d . . .
H4CA H 0.4677 -0.1067 0.4596 0.099 Uiso 1 1 calc R . .
C4D C 0.3798(7) -0.0787(9) 0.4226(6) 0.075(4) Uani 1 1 d . . .
H4DA H 0.3695 -0.1312 0.4396 0.090 Uiso 1 1 calc R . .
C4E C 0.3364(6) -0.0137(8) 0.3848(4) 0.056(3) Uani 1 1 d . . .
P5 P 0.57027(17) 0.2697(3) 0.42939(18) 0.0766(11) Uani 1 1 d . . .
F1 F 0.5535(7) 0.2130(12) 0.3760(5) 0.201(7) Uani 1 1 d . . .
F2 F 0.6271(5) 0.2118(10) 0.4674(6) 0.189(6) Uani 1 1 d . . .
F3 F 0.5853(6) 0.3355(8) 0.4838(6) 0.172(5) Uani 1 1 d . . .
F4 F 0.6082(5) 0.3397(8) 0.4119(5) 0.155(4) Uani 1 1 d . . .
F5 F 0.5183(5) 0.3380(11) 0.3987(6) 0.193(6) Uani 1 1 d . . .
F6 F 0.5335(5) 0.2042(7) 0.4484(5) 0.139(4) Uani 1 1 d . . .
P6 P 0.5000 -0.0942(5) 0.2500 0.109(2) Uani 1 2 d S . .
F7 F 0.4691(11) -0.098(2) 0.2817(11) 0.357(17) Uani 1 1 d . . .
F8 F 0.4609(13) -0.1722(10) 0.2119(10) 0.350(17) Uani 1 1 d . . .
F9 F 0.4618(5) -0.0192(9) 0.2076(5) 0.173(5) Uani 1 1 d . . .
P7 P 0.0000 0.4338(4) 0.2500 0.120(3) Uani 1 2 d S . .
F10 F -0.0201(6) 0.3506(12) 0.2093(11) 0.36(2) Uani 1 1 d . . .
F11 F 0.0224(5) 0.5104(13) 0.2949(7) 0.252(9) Uani 1 1 d . . .
F12 F 0.0629(4) 0.4305(6) 0.2493(5) 0.131(4) Uani 1 1 d . . .
C5 C 0.5000 0.5982(17) 0.2500 0.30(3) Uani 1 2 d S . .
H5A H 0.4668 0.6406 0.2447 0.359 Uiso 0.50 1 calc PR . .
H5B H 0.5332 0.6406 0.2553 0.359 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.5203(3) 0.5264(5) 0.3120(4) 0.200(3) Uani 1 1 d . . .
C6 C 0.4088(14) -0.116(3) 0.0928(14) 0.228(13) Uani 1 1 d . . .
Cl4 Cl 0.3573(7) -0.0164(6) 0.0522(3) 0.335(8) Uani 1 1 d . . .
Cl5 Cl 0.4098(4) -0.1380(10) 0.0273(5) 0.121(3) Uani 0.52 1 d P . .
Cl5A Cl 0.3692(12) -0.227(2) 0.0851(10) 0.145(10) Uani 0.21 1 d P . .
Cl5B Cl 0.4160(8) -0.2078(15) 0.0531(9) 0.105(6) Uani 0.27 1 d P . .
C7 C -0.0196(10) -0.2624(15) 0.1574(13) 0.196(13) Uani 1 1 d . . .
H7A H 0.0232 -0.2618 0.1709 0.235 Uiso 1 1 calc R . .
H7B H -0.0345 -0.3294 0.1463 0.235 Uiso 1 1 calc R . .
Cl6 Cl -0.0397(12) -0.2098(15) 0.2164(14) 0.90(4) Uani 1 1 d . . .
Cl7 Cl -0.0526(3) -0.1874(6) 0.1053(3) 0.178(3) Uani 1 1 d . . .
C8 C 0.0487(16) 0.877(3) 0.0194(17) 0.326(16) Uiso 1 1 d . . .
H8A H 0.0511 0.8050 0.0218 0.391 Uiso 1 1 calc R . .
H8B H 0.0272 0.8989 0.0404 0.391 Uiso 1 1 calc R . .
Cl8 Cl 0.1202(8) 0.9257(9) 0.0529(5) 0.337(7) Uani 1 1 d . . .
Cl9 Cl 0.0170(4) 0.9047(11) -0.0389(5) 0.349(8) Uani 1 1 d . . .
O1 O -0.0495(8) -0.3632(12) 0.0765(10) 0.092(6) Uani 0.50 1 d P . .
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'
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'
Ru Ru -1.2594 0.8363 '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'
F F 0.0171 0.0103 '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
P1 Pt1 P2 88.70(11) . . ?
P1 Pt1 Cl2 176.98(13) . . ?
P2 Pt1 Cl2 90.90(11) . . ?
P1 Pt1 Cl1 91.14(12) . . ?
P2 Pt1 Cl1 177.60(12) . . ?
Cl2 Pt1 Cl1 89.13(12) . . ?
N1 Ru1 N2 78.7(3) . . ?
N1 Ru1 N3 162.9(3) . . ?
N2 Ru1 N3 92.7(3) . . ?
N1 Ru1 N4 87.6(3) . . ?
N2 Ru1 N4 83.6(3) . . ?
N3 Ru1 N4 76.6(4) . . ?
N1 Ru1 P4 91.3(2) . . ?
N2 Ru1 P4 91.5(2) . . ?
N3 Ru1 P4 103.8(3) . . ?
N4 Ru1 P4 175.0(2) . . ?
N1 Ru1 P3 101.4(2) . . ?
N2 Ru1 P3 174.8(2) . . ?
N3 Ru1 P3 88.5(2) . . ?
N4 Ru1 P3 101.6(2) . . ?
P4 Ru1 P3 83.37(10) . . ?
C21 P1 C11 109.5(10) . . ?
C21 P1 C1 105.4(7) . . ?
C11 P1 C1 105.6(6) . . ?
C21 P1 Pt1 109.7(4) . . ?
C11 P1 Pt1 116.5(6) . . ?
C1 P1 Pt1 109.5(4) . . ?
C41 P2 C31 107.2(5) . . ?
C41 P2 C2 109.4(5) . . ?
C31 P2 C2 100.0(5) . . ?
C41 P2 Pt1 115.0(3) . . ?
C31 P2 Pt1 114.0(4) . . ?
C2 P2 Pt1 110.2(3) . . ?
C61 P3 C3 102.8(5) . . ?
C61 P3 C51 98.3(5) . . ?
C3 P3 C51 103.5(4) . . ?
C61 P3 Ru1 114.5(4) . . ?
C3 P3 Ru1 112.4(4) . . ?
C51 P3 Ru1 122.8(3) . . ?
C81 P4 C71 102.8(6) . . ?
C81 P4 C4 104.5(5) . . ?
C71 P4 C4 105.5(5) . . ?
C81 P4 Ru1 114.5(4) . . ?
C71 P4 Ru1 117.5(4) . . ?
C4 P4 Ru1 110.7(3) . . ?
C4 C1 C2 90.9(8) . . ?
C4 C1 P1 117.6(7) . . ?
C2 C1 P1 115.8(7) . . ?
C4 C1 H1A 110.4 . . ?
C2 C1 H1A 110.4 . . ?
P1 C1 H1A 110.4 . . ?
C1 C2 C3 89.2(7) . . ?
C1 C2 P2 112.9(7) . . ?
C3 C2 P2 118.9(7) . . ?
C1 C2 H2A 111.3 . . ?
C3 C2 H2A 111.3 . . ?
P2 C2 H2A 111.3 . . ?
C4 C3 C2 89.2(7) . . ?
C4 C3 P3 113.4(6) . . ?
C2 C3 P3 116.5(7) . . ?
C4 C3 H3A 112.0 . . ?
C2 C3 H3A 112.0 . . ?
P3 C3 H3A 112.0 . . ?
C1 C4 C3 90.7(7) . . ?
C1 C4 P4 118.5(8) . . ?
C3 C4 P4 114.6(6) . . ?
C1 C4 H4A 110.5 . . ?
C3 C4 H4A 110.5 . . ?
P4 C4 H4A 110.5 . . ?
C1A N1 C1E 114.5(9) . . ?
C1A N1 Ru1 129.3(8) . . ?
C1E N1 Ru1 116.1(7) . . ?
C2A N2 C2E 116.9(10) . . ?
C2A N2 Ru1 127.3(8) . . ?
C2E N2 Ru1 115.2(7) . . ?
C3E N3 C3A 117.9(10) . . ?
C3E N3 Ru1 115.3(7) . . ?
C3A N3 Ru1 126.7(8) . . ?
C4A N4 C4E 117.9(10) . . ?
C4A N4 Ru1 127.0(8) . . ?
C4E N4 Ru1 114.3(7) . . ?
C16 C11 C12 120.7(17) . . ?
C16 C11 P1 121.1(15) . . ?
C12 C11 P1 118.1(17) . . ?
C13 C12 C11 115(3) . . ?
C13 C12 H12A 122.3 . . ?
C11 C12 H12A 122.3 . . ?
C12 C13 C14 127(4) . . ?
C12 C13 H13A 116.6 . . ?
C14 C13 H13A 116.6 . . ?
C13 C14 C15 117(2) . . ?
C13 C14 H14A 121.3 . . ?
C15 C14 H14A 121.3 . . ?
C14 C15 C16 121(3) . . ?
C14 C15 H15A 119.5 . . ?
C16 C15 H15A 119.5 . . ?
C11 C16 C15 118(2) . . ?
C11 C16 H16A 120.8 . . ?
C15 C16 H16A 120.8 . . ?
C22 C21 C26 122(2) . . ?
C22 C21 P1 121.8(14) . . ?
C26 C21 P1 116.3(17) . . ?
C21 C22 C23 116(2) . . ?
C21 C22 H22A 122.2 . . ?
C23 C22 H22A 122.2 . . ?
C24 C23 C22 121(3) . . ?
C24 C23 H23A 119.4 . . ?
C22 C23 H23A 119.4 . . ?
C25 C24 C23 124(3) . . ?
C25 C24 H24A 117.9 . . ?
C23 C24 H24A 117.9 . . ?
C24 C25 C26 119(3) . . ?
C24 C25 H25A 120.7 . . ?
C26 C25 H25A 120.7 . . ?
C25 C26 C21 118(2) . . ?
C25 C26 H26A 121.1 . . ?
C21 C26 H26A 121.1 . . ?
C32 C31 C36 119.4(11) . . ?
C32 C31 P2 121.3(8) . . ?
C36 C31 P2 119.3(9) . . ?
C31 C32 C33 121.5(12) . . ?
C31 C32 H32A 119.3 . . ?
C33 C32 H32A 119.3 . . ?
C34 C33 C32 117.6(13) . . ?
C34 C33 H33A 121.2 . . ?
C32 C33 H33A 121.2 . . ?
C33 C34 C35 124.1(13) . . ?
C33 C34 H34A 118.0 . . ?
C35 C34 H34A 118.0 . . ?
C34 C35 C36 116.7(13) . . ?
C34 C35 H35A 121.7 . . ?
C36 C35 H35A 121.7 . . ?
C31 C36 C35 120.6(12) . . ?
C31 C36 H36A 119.7 . . ?
C35 C36 H36A 119.7 . . ?
C46 C41 C42 120.2(11) . . ?
C46 C41 P2 123.0(8) . . ?
C42 C41 P2 116.8(9) . . ?
C43 C42 C41 118.7(12) . . ?
C43 C42 H42A 120.7 . . ?
C41 C42 H42A 120.7 . . ?
C42 C43 C44 120.9(12) . . ?
C42 C43 H43A 119.5 . . ?
C44 C43 H43A 119.5 . . ?
C45 C44 C43 119.8(13) . . ?
C45 C44 H44A 120.1 . . ?
C43 C44 H44A 120.1 . . ?
C44 C45 C46 119.9(12) . . ?
C44 C45 H45A 120.1 . . ?
C46 C45 H45A 120.1 . . ?
C41 C46 C45 120.3(10) . . ?
C41 C46 H46A 119.9 . . ?
C45 C46 H46A 119.9 . . ?
C52 C51 C56 118.6(10) . . ?
C52 C51 P3 122.7(8) . . ?
C56 C51 P3 118.7(8) . . ?
C51 C52 C53 120.4(11) . . ?
C51 C52 H52A 119.8 . . ?
C53 C52 H52A 119.8 . . ?
C54 C53 C52 121.6(12) . . ?
C54 C53 H53A 119.2 . . ?
C52 C53 H53A 119.2 . . ?
C53 C54 C55 119.6(12) . . ?
C53 C54 H54A 120.2 . . ?
C55 C54 H54A 120.2 . . ?
C56 C55 C54 121.1(12) . . ?
C56 C55 H55A 119.5 . . ?
C54 C55 H55A 119.5 . . ?
C55 C56 C51 118.6(11) . . ?
C55 C56 H56A 120.7 . . ?
C51 C56 H56A 120.7 . . ?
C62 C61 C66 120.1(12) . . ?
C62 C61 P3 118.3(10) . . ?
C66 C61 P3 121.6(10) . . ?
C61 C62 C63 118.8(15) . . ?
C61 C62 H62A 120.6 . . ?
C63 C62 H62A 120.6 . . ?
C64 C63 C62 122.9(17) . . ?
C64 C63 H63A 118.6 . . ?
C62 C63 H63A 118.6 . . ?
C65 C64 C63 116.8(17) . . ?
C65 C64 H64A 121.6 . . ?
C63 C64 H64A 121.6 . . ?
C64 C65 C66 124.7(19) . . ?
C64 C65 H65A 117.6 . . ?
C66 C65 H65A 117.6 . . ?
C65 C66 C61 116.4(15) . . ?
C65 C66 H66A 121.8 . . ?
C61 C66 H66A 121.8 . . ?
C76 C71 C72 116.2(13) . . ?
C76 C71 P4 123.1(11) . . ?
C72 C71 P4 120.6(9) . . ?
C73 C72 C71 124.0(12) . . ?
C73 C72 H72A 118.0 . . ?
C71 C72 H72A 118.0 . . ?
C72 C73 C74 116.4(14) . . ?
C72 C73 H73A 121.8 . . ?
C74 C73 H73A 121.8 . . ?
C75 C74 C73 121.6(16) . . ?
C75 C74 H74A 119.2 . . ?
C73 C74 H74A 119.2 . . ?
C76 C75 C74 118.7(16) . . ?
C76 C75 H75A 120.7 . . ?
C74 C75 H75A 120.7 . . ?
C71 C76 C75 123.0(16) . . ?
C71 C76 H76A 118.5 . . ?
C75 C76 H76A 118.5 . . ?
C86 C81 C82 116.9(10) . . ?
C86 C81 P4 126.7(9) . . ?
C82 C81 P4 116.3(9) . . ?
C83 C82 C81 121.0(12) . . ?
C83 C82 H82A 119.5 . . ?
C81 C82 H82A 119.5 . . ?
C84 C83 C82 120.4(13) . . ?
C84 C83 H83A 119.8 . . ?
C82 C83 H83A 119.8 . . ?
C83 C84 C85 120.2(13) . . ?
C83 C84 H84A 119.9 . . ?
C85 C84 H84A 119.9 . . ?
C84 C85 C86 120.9(14) . . ?
C84 C85 H85A 119.5 . . ?
C86 C85 H85A 119.5 . . ?
C85 C86 C81 119.9(13) . . ?
C85 C86 H86A 120.1 . . ?
C81 C86 H86A 120.1 . . ?
C1B C1A N1 124.9(12) . . ?
C1B C1A H1AA 117.5 . . ?
N1 C1A H1AA 117.5 . . ?
C1A C1B C1C 119.6(12) . . ?
C1A C1B H1BA 120.2 . . ?
C1C C1B H1BA 120.2 . . ?
C1B C1C C1D 118.8(13) . . ?
C1B C1C H1CA 120.6 . . ?
C1D C1C H1CA 120.6 . . ?
C1C C1D C1E 118.7(12) . . ?
C1C C1D H1DA 120.6 . . ?
C1E C1D H1DA 120.6 . . ?
N1 C1E C1D 123.3(11) . . ?
N1 C1E C2E 114.1(9) . . ?
C1D C1E C2E 122.6(11) . . ?
N2 C2A C2B 123.6(11) . . ?
N2 C2A H2AA 118.2 . . ?
C2B C2A H2AA 118.2 . . ?
C2C C2B C2A 119.1(12) . . ?
C2C C2B H2BA 120.4 . . ?
C2A C2B H2BA 120.4 . . ?
C2B C2C C2D 120.8(12) . . ?
C2B C2C H2CA 119.6 . . ?
C2D C2C H2CA 119.6 . . ?
C2E C2D C2C 116.7(12) . . ?
C2E C2D H2DA 121.6 . . ?
C2C C2D H2DA 121.6 . . ?
N2 C2E C2D 122.6(11) . . ?
N2 C2E C1E 115.6(10) . . ?
C2D C2E C1E 121.7(12) . . ?
N3 C3A C3B 122.3(12) . . ?
N3 C3A H3AA 118.8 . . ?
C3B C3A H3AA 118.8 . . ?
C3C C3B C3A 117.9(13) . . ?
C3C C3B H3BA 121.0 . . ?
C3A C3B H3BA 121.0 . . ?
C3B C3C C3D 121.8(13) . . ?
C3B C3C H3CA 119.1 . . ?
C3D C3C H3CA 119.1 . . ?
C3C C3D C3E 118.4(13) . . ?
C3C C3D H3DA 120.8 . . ?
C3E C3D H3DA 120.8 . . ?
N3 C3E C3D 121.5(12) . . ?
N3 C3E C4E 115.5(10) . . ?
C3D C3E C4E 123.0(13) . . ?
N4 C4A C4B 124.0(13) . . ?
N4 C4A H4AA 118.0 . . ?
C4B C4A H4AA 118.0 . . ?
C4C C4B C4A 119.0(13) . . ?
C4C C4B H4BA 120.5 . . ?
C4A C4B H4BA 120.5 . . ?
C4B C4C C4D 119.1(11) . . ?
C4B C4C H4CA 120.4 . . ?
C4D C4C H4CA 120.4 . . ?
C4C C4D C4E 118.9(12) . . ?
C4C C4D H4DA 120.5 . . ?
C4E C4D H4DA 120.5 . . ?
N4 C4E C4D 121.1(12) . . ?
N4 C4E C3E 117.0(9) . . ?
C4D C4E C3E 121.8(12) . . ?
F1 P5 F5 91.2(9) . . ?
F1 P5 F6 92.5(7) . . ?
F5 P5 F6 90.6(7) . . ?
F1 P5 F2 96.7(9) . . ?
F5 P5 F2 171.6(9) . . ?
F6 P5 F2 91.7(7) . . ?
F1 P5 F3 176.2(10) . . ?
F5 P5 F3 85.1(8) . . ?
F6 P5 F3 88.5(6) . . ?
F2 P5 F3 86.9(8) . . ?
F1 P5 F4 89.8(7) . . ?
F5 P5 F4 88.9(7) . . ?
F6 P5 F4 177.7(7) . . ?
F2 P5 F4 88.5(6) . . ?
F3 P5 F4 89.1(7) . . ?
F7 P6 F7 176(3) 2_655 . ?
F7 P6 F8 88.1(16) 2_655 . ?
F7 P6 F8 88.9(17) . . ?
F7 P6 F8 88.9(17) 2_655 2_655 ?
F7 P6 F8 88.1(16) . 2_655 ?
F8 P6 F8 88.3(15) . 2_655 ?
F7 P6 F9 96.3(15) 2_655 2_655 ?
F7 P6 F9 86.6(11) . 2_655 ?
F8 P6 F9 174.9(14) . 2_655 ?
F8 P6 F9 89.3(9) 2_655 2_655 ?
F7 P6 F9 86.6(11) 2_655 . ?
F7 P6 F9 96.3(15) . . ?
F8 P6 F9 89.3(9) . . ?
F8 P6 F9 175.0(14) 2_655 . ?
F9 P6 F9 93.3(10) 2_655 . ?
F11 P7 F11 89.6(16) 2 . ?
F11 P7 F10 95.5(13) 2 . ?
F11 P7 F10 174.9(14) . . ?
F11 P7 F10 174.9(14) 2 2 ?
F11 P7 F10 95.5(13) . 2 ?
F10 P7 F10 79(2) . 2 ?
F11 P7 F12 92.1(6) 2 . ?
F11 P7 F12 90.2(6) . . ?
F10 P7 F12 89.4(8) . . ?
F10 P7 F12 88.1(8) 2 . ?
F11 P7 F12 90.2(6) 2 2 ?
F11 P7 F12 92.1(6) . 2 ?
F10 P7 F12 88.1(8) . 2 ?
F10 P7 F12 89.4(8) 2 2 ?
F12 P7 F12 176.8(7) . 2 ?
Cl3 C5 Cl3 111.9(13) 2_655 . ?
Cl3 C5 H5A 109.2 2_655 . ?
Cl3 C5 H5A 109.2 . . ?
Cl3 C5 H5B 109.2 2_655 . ?
Cl3 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
Cl5B C6 Cl5A 61.2(19) . . ?
Cl5 C6 Cl5A 91(2) . . ?
Cl5B C6 Cl4 116.4(19) . . ?
Cl5 C6 Cl4 83.9(15) . . ?
Cl5A C6 Cl4 110.1(19) . . ?
C6 Cl4 Cl5 46.2(11) . . ?
Cl5B Cl5 C6 68.0(16) . . ?
Cl5B Cl5 Cl4 111.3(14) . . ?
C6 Cl5 Cl4 49.9(11) . . ?
Cl5B Cl5A C6 56.9(15) . . ?
Cl5 Cl5B C6 73.4(16) . . ?
Cl5 Cl5B Cl5A 117.6(18) . . ?
C6 Cl5B Cl5A 61.9(17) . . ?
Cl7 C7 Cl6 101.8(11) . . ?
Cl7 C7 H7A 111.4 . . ?
Cl6 C7 H7A 111.4 . . ?
Cl7 C7 H7B 111.4 . . ?
Cl6 C7 H7B 111.4 . . ?
H7A C7 H7B 109.3 . . ?
C7 Cl6 Cl6 99.3(12) . 2 ?
Cl9 C8 Cl8 112(2) . . ?
Cl9 C8 H8A 109.1 . . ?
Cl8 C8 H8A 109.1 . . ?
Cl9 C8 H8B 109.1 . . ?
Cl8 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
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 P1 2.206(3) . ?
Pt1 P2 2.217(3) . ?
Pt1 Cl2 2.326(3) . ?
Pt1 Cl1 2.353(3) . ?
Ru1 N1 2.068(8) . ?
Ru1 N2 2.104(9) . ?
Ru1 N3 2.127(8) . ?
Ru1 N4 2.132(9) . ?
Ru1 P4 2.312(3) . ?
Ru1 P3 2.317(3) . ?
P1 C21 1.816(18) . ?
P1 C11 1.821(16) . ?
P1 C1 1.849(10) . ?
P2 C41 1.790(12) . ?
P2 C31 1.833(11) . ?
P2 C2 1.868(9) . ?
P3 C61 1.848(12) . ?
P3 C3 1.856(10) . ?
P3 C51 1.859(11) . ?
P4 C81 1.815(10) . ?
P4 C71 1.857(14) . ?
P4 C4 1.873(10) . ?
C1 C4 1.533(14) . ?
C1 C2 1.558(14) . ?
C1 H1A 0.9900 . ?
C2 C3 1.576(13) . ?
C2 H2A 0.9900 . ?
C3 C4 1.560(14) . ?
C3 H3A 0.9900 . ?
C4 H4A 0.9900 . ?
N1 C1A 1.374(13) . ?
N1 C1E 1.392(13) . ?
N2 C2A 1.337(13) . ?
N2 C2E 1.362(14) . ?
N3 C3E 1.356(14) . ?
N3 C3A 1.362(13) . ?
N4 C4A 1.324(14) . ?
N4 C4E 1.343(14) . ?
C11 C16 1.33(2) . ?
C11 C12 1.47(2) . ?
C12 C13 1.32(3) . ?
C12 H12A 0.9400 . ?
C13 C14 1.32(8) . ?
C13 H13A 0.9400 . ?
C14 C15 1.38(6) . ?
C14 H14A 0.9400 . ?
C15 C16 1.41(2) . ?
C15 H15A 0.9400 . ?
C16 H16A 0.9400 . ?
C21 C22 1.35(2) . ?
C21 C26 1.44(2) . ?
C22 C23 1.45(3) . ?
C22 H22A 0.9400 . ?
C23 C24 1.33(4) . ?
C23 H23A 0.9400 . ?
C24 C25 1.31(5) . ?
C24 H24A 0.9400 . ?
C25 C26 1.41(4) . ?
C25 H25A 0.9400 . ?
C26 H26A 0.9400 . ?
C31 C32 1.337(15) . ?
C31 C36 1.379(15) . ?
C32 C33 1.387(16) . ?
C32 H32A 0.9400 . ?
C33 C34 1.346(19) . ?
C33 H33A 0.9400 . ?
C34 C35 1.355(19) . ?
C34 H34A 0.9400 . ?
C35 C36 1.395(16) . ?
C35 H35A 0.9400 . ?
C36 H36A 0.9400 . ?
C41 C46 1.364(14) . ?
C41 C42 1.411(15) . ?
C42 C43 1.370(18) . ?
C42 H42A 0.9400 . ?
C43 C44 1.405(19) . ?
C43 H43A 0.9400 . ?
C44 C45 1.354(17) . ?
C44 H44A 0.9400 . ?
C45 C46 1.406(16) . ?
C45 H45A 0.9400 . ?
C46 H46A 0.9400 . ?
C51 C52 1.359(14) . ?
C51 C56 1.419(15) . ?
C52 C53 1.369(16) . ?
C52 H52A 0.9400 . ?
C53 C54 1.322(17) . ?
C53 H53A 0.9400 . ?
C54 C55 1.378(17) . ?
C54 H54A 0.9400 . ?
C55 C56 1.358(16) . ?
C55 H55A 0.9400 . ?
C56 H56A 0.9400 . ?
C61 C62 1.355(17) . ?
C61 C66 1.423(16) . ?
C62 C63 1.39(2) . ?
C62 H62A 0.9400 . ?
C63 C64 1.36(3) . ?
C63 H63A 0.9400 . ?
C64 C65 1.33(3) . ?
C64 H64A 0.9400 . ?
C65 C66 1.39(2) . ?
C65 H65A 0.9400 . ?
C66 H66A 0.9400 . ?
C71 C76 1.359(17) . ?
C71 C72 1.388(16) . ?
C72 C73 1.377(16) . ?
C72 H72A 0.9400 . ?
C73 C74 1.39(2) . ?
C73 H73A 0.9400 . ?
C74 C75 1.38(2) . ?
C74 H74A 0.9400 . ?
C75 C76 1.37(2) . ?
C75 H75A 0.9400 . ?
C76 H76A 0.9400 . ?
C81 C86 1.403(16) . ?
C81 C82 1.434(15) . ?
C82 C83 1.364(15) . ?
C82 H82A 0.9400 . ?
C83 C84 1.355(19) . ?
C83 H83A 0.9400 . ?
C84 C85 1.38(2) . ?
C84 H84A 0.9400 . ?
C85 C86 1.387(18) . ?
C85 H85A 0.9400 . ?
C86 H86A 0.9400 . ?
C1A C1B 1.359(15) . ?
C1A H1AA 0.9400 . ?
C1B C1C 1.390(18) . ?
C1B H1BA 0.9400 . ?
C1C C1D 1.391(17) . ?
C1C H1CA 0.9400 . ?
C1D C1E 1.397(15) . ?
C1D H1DA 0.9400 . ?
C1E C2E 1.485(15) . ?
C2A C2B 1.393(16) . ?
C2A H2AA 0.9400 . ?
C2B C2C 1.320(17) . ?
C2B H2BA 0.9400 . ?
C2C C2D 1.415(17) . ?
C2C H2CA 0.9400 . ?
C2D C2E 1.405(16) . ?
C2D H2DA 0.9400 . ?
C3A C3B 1.409(15) . ?
C3A H3AA 0.9400 . ?
C3B C3C 1.331(18) . ?
C3B H3BA 0.9400 . ?
C3C C3D 1.384(18) . ?
C3C H3CA 0.9400 . ?
C3D C3E 1.393(16) . ?
C3D H3DA 0.9400 . ?
C3E C4E 1.438(16) . ?
C4A C4B 1.367(15) . ?
C4A H4AA 0.9400 . ?
C4B C4C 1.354(17) . ?
C4B H4BA 0.9400 . ?
C4C C4D 1.378(18) . ?
C4C H4CA 0.9400 . ?
C4D C4E 1.403(17) . ?
C4D H4DA 0.9400 . ?
P5 F1 1.469(11) . ?
P5 F5 1.510(12) . ?
P5 F6 1.530(9) . ?
P5 F2 1.542(11) . ?
P5 F3 1.564(11) . ?
P5 F4 1.567(9) . ?
P6 F7 1.377(17) 2_655 ?
P6 F7 1.377(17) . ?
P6 F8 1.480(14) . ?
P6 F8 1.481(14) 2_655 ?
P6 F9 1.488(11) 2_655 ?
P6 F9 1.488(11) . ?
P7 F11 1.470(12) 2 ?
P7 F11 1.470(12) . ?
P7 F10 1.471(14) . ?
P7 F10 1.471(14) 2 ?
P7 F12 1.611(9) . ?
P7 F12 1.611(9) 2 ?
C5 Cl3 1.746(14) 2_655 ?
C5 Cl3 1.746(14) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C6 Cl5B 1.68(4) . ?
C6 Cl5 1.74(3) . ?
C6 Cl5A 1.77(4) . ?
C6 Cl4 1.84(3) . ?
Cl4 Cl5 2.397(18) . ?
Cl5 Cl5B 1.131(19) . ?
Cl5A Cl5B 1.76(4) . ?
C7 Cl7 1.59(2) . ?
C7 Cl6 1.96(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
Cl6 Cl6 1.97(6) 2 ?
C8 Cl9 1.40(3) . ?
C8 Cl8 1.75(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Pt1 P1 C21 -100.2(7) . . . . ?
Cl1 Pt1 P1 C21 77.4(7) . . . . ?
P2 Pt1 P1 C11 134.7(7) . . . . ?
Cl1 Pt1 P1 C11 -47.7(7) . . . . ?
P2 Pt1 P1 C1 15.0(4) . . . . ?
Cl1 Pt1 P1 C1 -167.4(4) . . . . ?
P1 Pt1 P2 C41 -138.6(4) . . . . ?
Cl2 Pt1 P2 C41 44.4(4) . . . . ?
P1 Pt1 P2 C31 97.1(4) . . . . ?
Cl2 Pt1 P2 C31 -79.9(4) . . . . ?
P1 Pt1 P2 C2 -14.4(4) . . . . ?
Cl2 Pt1 P2 C2 168.6(4) . . . . ?
N1 Ru1 P3 C61 -172.3(5) . . . . ?
N3 Ru1 P3 C61 -6.5(5) . . . . ?
N4 Ru1 P3 C61 -82.4(5) . . . . ?
P4 Ru1 P3 C61 97.6(5) . . . . ?
N1 Ru1 P3 C3 70.9(4) . . . . ?
N3 Ru1 P3 C3 -123.3(4) . . . . ?
N4 Ru1 P3 C3 160.8(4) . . . . ?
P4 Ru1 P3 C3 -19.2(4) . . . . ?
N1 Ru1 P3 C51 -53.5(4) . . . . ?
N3 Ru1 P3 C51 112.4(5) . . . . ?
N4 Ru1 P3 C51 36.4(5) . . . . ?
P4 Ru1 P3 C51 -143.5(4) . . . . ?
N1 Ru1 P4 C81 161.9(5) . . . . ?
N2 Ru1 P4 C81 83.2(5) . . . . ?
N3 Ru1 P4 C81 -10.0(5) . . . . ?
P3 Ru1 P4 C81 -96.8(4) . . . . ?
N1 Ru1 P4 C71 41.1(5) . . . . ?
N2 Ru1 P4 C71 -37.7(5) . . . . ?
N3 Ru1 P4 C71 -130.8(5) . . . . ?
P3 Ru1 P4 C71 142.4(4) . . . . ?
N1 Ru1 P4 C4 -80.3(4) . . . . ?
N2 Ru1 P4 C4 -159.0(4) . . . . ?
N3 Ru1 P4 C4 107.8(4) . . . . ?
P3 Ru1 P4 C4 21.0(4) . . . . ?
C21 P1 C1 C4 -149.0(9) . . . . ?
C11 P1 C1 C4 -33.2(12) . . . . ?
Pt1 P1 C1 C4 93.0(8) . . . . ?
C21 P1 C1 C2 105.2(9) . . . . ?
C11 P1 C1 C2 -138.9(10) . . . . ?
Pt1 P1 C1 C2 -12.8(9) . . . . ?
C4 C1 C2 C3 1.3(7) . . . . ?
P1 C1 C2 C3 122.8(7) . . . . ?
C4 C1 C2 P2 -119.9(7) . . . . ?
P1 C1 C2 P2 1.6(10) . . . . ?
C41 P2 C2 C1 137.7(7) . . . . ?
C31 P2 C2 C1 -110.0(8) . . . . ?
Pt1 P2 C2 C1 10.3(8) . . . . ?
C41 P2 C2 C3 35.2(9) . . . . ?
C31 P2 C2 C3 147.6(8) . . . . ?
Pt1 P2 C2 C3 -92.1(7) . . . . ?
C1 C2 C3 C4 -1.3(7) . . . . ?
P2 C2 C3 C4 114.6(8) . . . . ?
C1 C2 C3 P3 114.6(8) . . . . ?
P2 C2 C3 P3 -129.5(7) . . . . ?
C61 P3 C3 C4 -110.9(8) . . . . ?
C51 P3 C3 C4 147.1(7) . . . . ?
Ru1 P3 C3 C4 12.7(8) . . . . ?
C61 P3 C3 C2 147.6(8) . . . . ?
C51 P3 C3 C2 45.6(8) . . . . ?
Ru1 P3 C3 C2 -88.8(7) . . . . ?
C2 C1 C4 C3 -1.4(7) . . . . ?
P1 C1 C4 C3 -121.3(8) . . . . ?
C2 C1 C4 P4 -120.0(8) . . . . ?
P1 C1 C4 P4 120.0(7) . . . . ?
C2 C3 C4 C1 1.3(7) . . . . ?
P3 C3 C4 C1 -117.3(7) . . . . ?
C2 C3 C4 P4 123.3(7) . . . . ?
P3 C3 C4 P4 4.7(10) . . . . ?
C81 P4 C4 C1 -151.0(8) . . . . ?
C71 P4 C4 C1 -42.9(9) . . . . ?
Ru1 P4 C4 C1 85.2(8) . . . . ?
C81 P4 C4 C3 103.8(8) . . . . ?
C71 P4 C4 C3 -148.2(8) . . . . ?
Ru1 P4 C4 C3 -20.0(8) . . . . ?
N2 Ru1 N1 C1A -177.6(9) . . . . ?
N3 Ru1 N1 C1A -116.4(12) . . . . ?
N4 Ru1 N1 C1A -93.7(9) . . . . ?
P4 Ru1 N1 C1A 91.2(8) . . . . ?
P3 Ru1 N1 C1A 7.7(9) . . . . ?
N2 Ru1 N1 C1E -1.4(7) . . . . ?
N3 Ru1 N1 C1E 59.8(15) . . . . ?
N4 Ru1 N1 C1E 82.5(7) . . . . ?
P4 Ru1 N1 C1E -92.6(7) . . . . ?
P3 Ru1 N1 C1E -176.1(7) . . . . ?
N1 Ru1 N2 C2A -173.4(10) . . . . ?
N3 Ru1 N2 C2A 21.6(10) . . . . ?
N4 Ru1 N2 C2A 97.8(9) . . . . ?
P4 Ru1 N2 C2A -82.3(9) . . . . ?
N1 Ru1 N2 C2E -2.2(7) . . . . ?
N3 Ru1 N2 C2E -167.2(8) . . . . ?
N4 Ru1 N2 C2E -91.1(8) . . . . ?
P4 Ru1 N2 C2E 88.9(7) . . . . ?
N1 Ru1 N3 C3E 18.3(16) . . . . ?
N2 Ru1 N3 C3E 77.6(8) . . . . ?
N4 Ru1 N3 C3E -5.1(7) . . . . ?
P4 Ru1 N3 C3E 169.8(7) . . . . ?
P3 Ru1 N3 C3E -107.4(7) . . . . ?
N1 Ru1 N3 C3A -165.3(11) . . . . ?
N2 Ru1 N3 C3A -105.9(9) . . . . ?
N4 Ru1 N3 C3A 171.4(9) . . . . ?
P4 Ru1 N3 C3A -13.8(9) . . . . ?
P3 Ru1 N3 C3A 69.0(8) . . . . ?
N1 Ru1 N4 C4A 5.5(10) . . . . ?
N2 Ru1 N4 C4A 84.4(10) . . . . ?
N3 Ru1 N4 C4A 178.8(10) . . . . ?
P3 Ru1 N4 C4A -95.7(9) . . . . ?
N1 Ru1 N4 C4E -163.6(8) . . . . ?
N2 Ru1 N4 C4E -84.7(8) . . . . ?
N3 Ru1 N4 C4E 9.7(7) . . . . ?
P3 Ru1 N4 C4E 95.3(7) . . . . ?
C21 P1 C11 C16 -151.3(14) . . . . ?
C1 P1 C11 C16 95.7(14) . . . . ?
Pt1 P1 C11 C16 -26.1(16) . . . . ?
C21 P1 C11 C12 24.3(13) . . . . ?
C1 P1 C11 C12 -88.7(12) . . . . ?
Pt1 P1 C11 C12 149.5(10) . . . . ?
C16 C11 C12 C13 -1(3) . . . . ?
P1 C11 C12 C13 -177.1(19) . . . . ?
C11 C12 C13 C14 -4(5) . . . . ?
C12 C13 C14 C15 4(7) . . . . ?
C13 C14 C15 C16 2(5) . . . . ?
C12 C11 C16 C15 6(2) . . . . ?
P1 C11 C16 C15 -178.3(12) . . . . ?
C14 C15 C16 C11 -6(3) . . . . ?
C11 P1 C21 C22 -137.9(16) . . . . ?
C1 P1 C21 C22 -24.7(17) . . . . ?
Pt1 P1 C21 C22 93.1(15) . . . . ?
C11 P1 C21 C26 46.1(15) . . . . ?
C1 P1 C21 C26 159.3(13) . . . . ?
Pt1 P1 C21 C26 -82.8(14) . . . . ?
C26 C21 C22 C23 -3(3) . . . . ?
P1 C21 C22 C23 -178.4(17) . . . . ?
C21 C22 C23 C24 5(4) . . . . ?
C22 C23 C24 C25 0(6) . . . . ?
C23 C24 C25 C26 -7(6) . . . . ?
C24 C25 C26 C21 9(5) . . . . ?
C22 C21 C26 C25 -4(3) . . . . ?
P1 C21 C26 C25 171.9(19) . . . . ?
C41 P2 C31 C32 62.3(11) . . . . ?
C2 P2 C31 C32 -51.8(10) . . . . ?
Pt1 P2 C31 C32 -169.3(9) . . . . ?
C41 P2 C31 C36 -114.9(10) . . . . ?
C2 P2 C31 C36 131.1(10) . . . . ?
Pt1 P2 C31 C36 13.5(11) . . . . ?
C36 C31 C32 C33 -3.9(19) . . . . ?
P2 C31 C32 C33 179.0(10) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C32 C33 C34 C35 -1(2) . . . . ?
C33 C34 C35 C36 2(2) . . . . ?
C32 C31 C36 C35 5.8(19) . . . . ?
P2 C31 C36 C35 -177.0(11) . . . . ?
C34 C35 C36 C31 -5(2) . . . . ?
C31 P2 C41 C46 1.0(10) . . . . ?
C2 P2 C41 C46 108.6(9) . . . . ?
Pt1 P2 C41 C46 -126.8(8) . . . . ?
C31 P2 C41 C42 179.2(8) . . . . ?
C2 P2 C41 C42 -73.2(9) . . . . ?
Pt1 P2 C41 C42 51.3(9) . . . . ?
C46 C41 C42 C43 -3.6(17) . . . . ?
P2 C41 C42 C43 178.2(9) . . . . ?
C41 C42 C43 C44 0.2(19) . . . . ?
C42 C43 C44 C45 4(2) . . . . ?
C43 C44 C45 C46 -5(2) . . . . ?
C42 C41 C46 C45 2.6(16) . . . . ?
P2 C41 C46 C45 -179.3(8) . . . . ?
C44 C45 C46 C41 1.8(18) . . . . ?
C61 P3 C51 C52 131.9(9) . . . . ?
C3 P3 C51 C52 -122.7(9) . . . . ?
Ru1 P3 C51 C52 5.6(10) . . . . ?
C61 P3 C51 C56 -46.6(9) . . . . ?
C3 P3 C51 C56 58.8(9) . . . . ?
Ru1 P3 C51 C56 -173.0(6) . . . . ?
C56 C51 C52 C53 -2.8(17) . . . . ?
P3 C51 C52 C53 178.7(10) . . . . ?
C51 C52 C53 C54 2(2) . . . . ?
C52 C53 C54 C55 0(2) . . . . ?
C53 C54 C55 C56 -1(2) . . . . ?
C54 C55 C56 C51 0.5(17) . . . . ?
C52 C51 C56 C55 1.5(15) . . . . ?
P3 C51 C56 C55 -179.9(8) . . . . ?
C3 P3 C61 C62 -163.7(9) . . . . ?
C51 P3 C61 C62 -57.8(10) . . . . ?
Ru1 P3 C61 C62 74.1(10) . . . . ?
C3 P3 C61 C66 19.0(10) . . . . ?
C51 P3 C61 C66 124.9(9) . . . . ?
Ru1 P3 C61 C66 -103.1(9) . . . . ?
C66 C61 C62 C63 1.6(18) . . . . ?
P3 C61 C62 C63 -175.8(10) . . . . ?
C61 C62 C63 C64 -5(2) . . . . ?
C62 C63 C64 C65 7(3) . . . . ?
C63 C64 C65 C66 -6(3) . . . . ?
C64 C65 C66 C61 3(2) . . . . ?
C62 C61 C66 C65 -0.8(17) . . . . ?
P3 C61 C66 C65 176.4(10) . . . . ?
C81 P4 C71 C76 -2.2(12) . . . . ?
C4 P4 C71 C76 -111.4(11) . . . . ?
Ru1 P4 C71 C76 124.6(10) . . . . ?
C81 P4 C71 C72 179.7(9) . . . . ?
C4 P4 C71 C72 70.5(10) . . . . ?
Ru1 P4 C71 C72 -53.5(10) . . . . ?
C76 C71 C72 C73 -2.6(17) . . . . ?
P4 C71 C72 C73 175.6(9) . . . . ?
C71 C72 C73 C74 -1(2) . . . . ?
C72 C73 C74 C75 2(3) . . . . ?
C73 C74 C75 C76 0(3) . . . . ?
C72 C71 C76 C75 5(2) . . . . ?
P4 C71 C76 C75 -173.2(13) . . . . ?
C74 C75 C76 C71 -4(3) . . . . ?
C71 P4 C81 C86 -117.4(12) . . . . ?
C4 P4 C81 C86 -7.4(13) . . . . ?
Ru1 P4 C81 C86 113.9(11) . . . . ?
C71 P4 C81 C82 66.5(10) . . . . ?
C4 P4 C81 C82 176.5(9) . . . . ?
Ru1 P4 C81 C82 -62.2(10) . . . . ?
C86 C81 C82 C83 -4.7(18) . . . . ?
P4 C81 C82 C83 171.8(10) . . . . ?
C81 C82 C83 C84 8(2) . . . . ?
C82 C83 C84 C85 -9(3) . . . . ?
C83 C84 C85 C86 7(3) . . . . ?
C84 C85 C86 C81 -4(3) . . . . ?
C82 C81 C86 C85 3(2) . . . . ?
P4 C81 C86 C85 -173.1(12) . . . . ?
C1E N1 C1A C1B 0.4(16) . . . . ?
Ru1 N1 C1A C1B 176.7(9) . . . . ?
N1 C1A C1B C1C 1.1(19) . . . . ?
C1A C1B C1C C1D -4(2) . . . . ?
C1B C1C C1D C1E 4.5(19) . . . . ?
C1A N1 C1E C1D 0.6(15) . . . . ?
Ru1 N1 C1E C1D -176.2(9) . . . . ?
C1A N1 C1E C2E -178.8(9) . . . . ?
Ru1 N1 C1E C2E 4.4(12) . . . . ?
C1C C1D C1E N1 -3.1(18) . . . . ?
C1C C1D C1E C2E 176.3(11) . . . . ?
C2E N2 C2A C2B -2.7(16) . . . . ?
Ru1 N2 C2A C2B 168.4(9) . . . . ?
N2 C2A C2B C2C 4.5(19) . . . . ?
C2A C2B C2C C2D -5(2) . . . . ?
C2B C2C C2D C2E 3(2) . . . . ?
C2A N2 C2E C2D 1.3(16) . . . . ?
Ru1 N2 C2E C2D -170.8(9) . . . . ?
C2A N2 C2E C1E 177.3(9) . . . . ?
Ru1 N2 C2E C1E 5.2(12) . . . . ?
C2C C2D C2E N2 -1.7(18) . . . . ?
C2C C2D C2E C1E -177.4(11) . . . . ?
N1 C1E C2E N2 -6.3(14) . . . . ?
C1D C1E C2E N2 174.3(10) . . . . ?
N1 C1E C2E C2D 169.7(11) . . . . ?
C1D C1E C2E C2D -9.7(18) . . . . ?
C3E N3 C3A C3B -4.3(16) . . . . ?
Ru1 N3 C3A C3B 179.3(8) . . . . ?
N3 C3A C3B C3C 0.4(18) . . . . ?
C3A C3B C3C C3D 4(2) . . . . ?
C3B C3C C3D C3E -3(2) . . . . ?
C3A N3 C3E C3D 4.6(16) . . . . ?
Ru1 N3 C3E C3D -178.6(9) . . . . ?
C3A N3 C3E C4E -176.7(9) . . . . ?
Ru1 N3 C3E C4E 0.1(12) . . . . ?
C3C C3D C3E N3 -0.9(18) . . . . ?
C3C C3D C3E C4E -179.6(12) . . . . ?
C4E N4 C4A C4B 1.1(18) . . . . ?
Ru1 N4 C4A C4B -167.6(9) . . . . ?
N4 C4A C4B C4C -2(2) . . . . ?
C4A C4B C4C C4D 2(2) . . . . ?
C4B C4C C4D C4E 0(2) . . . . ?
C4A N4 C4E C4D 0.5(16) . . . . ?
Ru1 N4 C4E C4D 170.6(9) . . . . ?
C4A N4 C4E C3E 176.9(10) . . . . ?
Ru1 N4 C4E C3E -13.0(12) . . . . ?
C4C C4D C4E N4 -1.0(18) . . . . ?
C4C C4D C4E C3E -177.2(12) . . . . ?
N3 C3E C4E N4 8.7(15) . . . . ?
C3D C3E C4E N4 -172.6(10) . . . . ?
N3 C3E C4E C4D -175.0(10) . . . . ?
C3D C3E C4E C4D 3.7(18) . . . . ?
Cl5B C6 Cl4 Cl5 -21.3(14) . . . . ?
Cl5A C6 Cl4 Cl5 -88(2) . . . . ?
Cl5A C6 Cl5 Cl5B -38.4(17) . . . . ?
Cl4 C6 Cl5 Cl5B -148.5(19) . . . . ?
Cl5B C6 Cl5 Cl4 148.5(19) . . . . ?
Cl5A C6 Cl5 Cl4 110.1(19) . . . . ?
C6 Cl4 Cl5 Cl5B 31(2) . . . . ?
Cl5 C6 Cl5A Cl5B 26.2(10) . . . . ?
Cl4 C6 Cl5A Cl5B 110(2) . . . . ?
Cl4 Cl5 Cl5B C6 -25.4(15) . . . . ?
C6 Cl5 Cl5B Cl5A 44.8(17) . . . . ?
Cl4 Cl5 Cl5B Cl5A 19.4(19) . . . . ?
Cl5A C6 Cl5B Cl5 134.9(17) . . . . ?
Cl4 C6 Cl5B Cl5 35(2) . . . . ?
Cl5 C6 Cl5B Cl5A -134.9(17) . . . . ?
Cl4 C6 Cl5B Cl5A -99(2) . . . . ?
C6 Cl5A Cl5B Cl5 -50.0(19) . . . . ?
Cl7 C7 Cl6 Cl6 -132.0(11) . . . 2 ?
