#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:40:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179150 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/11/4311171.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_4311171
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Wei Fu'
'Michael B. Hall'
'Mark D. Smith'
'Charles Edwin Webster'
_publ_section_title
;
 Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum
 with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3921
_journal_page_last               3929
_journal_paper_doi               10.1021/ic049675j
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C32 H56 O8 P2 Pt2 Ru2'
_chemical_formula_weight         1223.03
_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                96.124(2)
_cell_angle_beta                 95.480(2)
_cell_angle_gamma                108.631(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8083(7)
_cell_length_b                   13.6810(9)
_cell_length_c                   14.7861(10)
_cell_measurement_reflns_used    3829
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.70
_cell_measurement_theta_min      2.26
_cell_volume                     2040.4(2)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16966
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    7.681
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.242
_refine_diff_density_min         -1.346
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         7208
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0399
_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)+(0.0433P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                5898
_reflns_number_total             7208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049675jsi20040315_094203.cif
_cod_data_source_block           fu357s
_cod_database_code               4311171
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
H1 H 0.875(11) 0.316(8) 0.165(7) 0.11(4) Uiso 1 1 d . . .
H2 H 0.701(8) 0.086(6) 0.304(6) 0.07(3) Uiso 1 1 d . . .
Pt1 Pt 0.90721(3) 0.30213(2) 0.27909(2) 0.03412(10) Uani 1 1 d . . .
Pt2 Pt 0.75404(3) 0.06666(2) 0.20034(2) 0.03350(10) Uani 1 1 d . . .
Ru1 Ru 0.69663(7) 0.22534(5) 0.12976(5) 0.04469(19) Uani 1 1 d . . .
Ru2 Ru 0.65481(7) 0.20364(6) 0.30704(5) 0.04691(19) Uani 1 1 d . . .
P1 P 1.1119(2) 0.42512(16) 0.26048(14) 0.0351(5) Uani 1 1 d . . .
P2 P 0.7753(2) -0.08493(16) 0.25508(15) 0.0387(5) Uani 1 1 d . . .
O10 O 0.9553(7) 0.2678(6) 0.4728(5) 0.076(2) Uani 1 1 d . . .
O11 O 0.7765(9) 0.2198(7) -0.0622(5) 0.101(3) Uani 1 1 d . . .
O12 O 0.5970(9) 0.4046(7) 0.0995(7) 0.112(3) Uani 1 1 d . . .
O13 O 0.4326(8) 0.0519(6) 0.0762(6) 0.096(3) Uani 1 1 d . . .
O20 O 0.8789(8) 0.0578(6) 0.0289(5) 0.080(2) Uani 1 1 d . . .
O21 O 0.6676(9) 0.1945(7) 0.5126(5) 0.109(3) Uani 1 1 d . . .
O22 O 0.6261(8) 0.4174(7) 0.3205(7) 0.100(3) Uani 1 1 d . . .
O23 O 0.3613(8) 0.0888(8) 0.2817(9) 0.144(5) Uani 1 1 d . . .
C10 C 0.9322(9) 0.2817(7) 0.4012(6) 0.049(2) Uani 1 1 d . . .
C11 C 0.7496(10) 0.2210(8) 0.0112(8) 0.065(3) Uani 1 1 d . . .
C12 C 0.6366(10) 0.3374(8) 0.1127(8) 0.070(3) Uani 1 1 d . . .
C13 C 0.5335(10) 0.1187(8) 0.0970(7) 0.066(3) Uani 1 1 d . . .
C20 C 0.8272(9) 0.0627(6) 0.0914(6) 0.048(2) Uani 1 1 d . . .
C21 C 0.6659(10) 0.1968(8) 0.4364(8) 0.068(3) Uani 1 1 d . . .
C22 C 0.6398(9) 0.3380(9) 0.3127(8) 0.068(3) Uani 1 1 d . . .
C23 C 0.4704(11) 0.1314(9) 0.2877(9) 0.082(4) Uani 1 1 d . . .
C31 C 1.1927(9) 0.3834(7) 0.1613(6) 0.051(2) Uani 1 1 d . . .
C32 C 1.2562(11) 0.3026(8) 0.1891(8) 0.078(3) Uani 1 1 d . . .
H32A H 1.1959 0.2523 0.2187 0.117 Uiso 1 1 calc R . .
H32B H 1.3359 0.3375 0.2307 0.117 Uiso 1 1 calc R . .
H32C H 1.2761 0.2680 0.1353 0.117 Uiso 1 1 calc R . .
C33 C 1.0878(10) 0.3265(8) 0.0801(6) 0.069(3) Uani 1 1 d . . .
H33A H 1.1291 0.3075 0.0295 0.103 Uiso 1 1 calc R . .
H33B H 1.0401 0.3713 0.0623 0.103 Uiso 1 1 calc R . .
H33C H 1.0281 0.2648 0.0972 0.103 Uiso 1 1 calc R . .
C34 C 1.2992(11) 0.4735(9) 0.1295(8) 0.080(3) Uani 1 1 d . . .
H34A H 1.3701 0.5054 0.1788 0.120 Uiso 1 1 calc R . .
H34B H 1.2613 0.5245 0.1119 0.120 Uiso 1 1 calc R . .
H34C H 1.3324 0.4467 0.0779 0.120 Uiso 1 1 calc R . .
C35 C 1.0728(9) 0.5478(6) 0.2369(6) 0.049(2) Uani 1 1 d . . .
C36 C 1.0090(11) 0.5363(8) 0.1385(7) 0.068(3) Uani 1 1 d . . .
H36A H 0.9729 0.5913 0.1323 0.101 Uiso 1 1 calc R . .
H36B H 0.9398 0.4701 0.1233 0.101 Uiso 1 1 calc R . .
H36C H 1.0740 0.5403 0.0978 0.101 Uiso 1 1 calc R . .
C37 C 1.1896(10) 0.6498(7) 0.2555(7) 0.066(3) Uani 1 1 d . . .
H37A H 1.2560 0.6442 0.2186 0.099 Uiso 1 1 calc R . .
H37B H 1.2257 0.6632 0.3193 0.099 Uiso 1 1 calc R . .
H37C H 1.1603 0.7061 0.2404 0.099 Uiso 1 1 calc R . .
C38 C 0.9679(10) 0.5589(7) 0.2970(7) 0.064(3) Uani 1 1 d . . .
H38A H 0.9605 0.6270 0.2972 0.096 Uiso 1 1 calc R . .
H38B H 0.9933 0.5495 0.3587 0.096 Uiso 1 1 calc R . .
H38C H 0.8845 0.5069 0.2727 0.096 Uiso 1 1 calc R . .
C39 C 1.2367(8) 0.4591(7) 0.3705(6) 0.049(2) Uani 1 1 d . . .
C40 C 1.3752(10) 0.5318(8) 0.3635(8) 0.076(3) Uani 1 1 d . . .
H40A H 1.4290 0.5461 0.4221 0.113 Uiso 1 1 calc R . .
H40B H 1.3701 0.5959 0.3455 0.113 Uiso 1 1 calc R . .
H40C H 1.4135 0.4990 0.3186 0.113 Uiso 1 1 calc R . .
C41 C 1.1829(11) 0.5122(8) 0.4474(6) 0.070(3) Uani 1 1 d . . .
H41A H 1.2294 0.5115 0.5059 0.105 Uiso 1 1 calc R . .
H41B H 1.0907 0.4752 0.4459 0.105 Uiso 1 1 calc R . .
H41C H 1.1952 0.5830 0.4383 0.105 Uiso 1 1 calc R . .
C42 C 1.2515(10) 0.3581(8) 0.4009(7) 0.069(3) Uani 1 1 d . . .
H42A H 1.3027 0.3321 0.3612 0.104 Uiso 1 1 calc R . .
H42B H 1.1659 0.3066 0.3974 0.104 Uiso 1 1 calc R . .
H42C H 1.2951 0.3730 0.4629 0.104 Uiso 1 1 calc R . .
C43 C 0.9609(8) -0.0636(6) 0.2773(6) 0.049(2) Uani 1 1 d . . .
C44 C 1.0313(9) 0.0487(7) 0.3219(7) 0.059(3) Uani 1 1 d . . .
H44A H 1.1246 0.0619 0.3311 0.088 Uiso 1 1 calc R . .
H44B H 1.0017 0.0600 0.3801 0.088 Uiso 1 1 calc R . .
H44C H 1.0119 0.0950 0.2827 0.088 Uiso 1 1 calc R . .
C45 C 0.9976(11) -0.1368(8) 0.3414(8) 0.083(4) Uani 1 1 d . . .
H45A H 1.0906 -0.1249 0.3462 0.125 Uiso 1 1 calc R . .
H45B H 0.9502 -0.2082 0.3161 0.125 Uiso 1 1 calc R . .
H45C H 0.9745 -0.1223 0.4013 0.125 Uiso 1 1 calc R . .
C46 C 1.0147(10) -0.0791(9) 0.1879(8) 0.081(3) Uani 1 1 d . . .
H46A H 1.0003 -0.0307 0.1492 0.122 Uiso 1 1 calc R . .
H46B H 0.9704 -0.1491 0.1575 0.122 Uiso 1 1 calc R . .
H46C H 1.1075 -0.0675 0.2005 0.122 Uiso 1 1 calc R . .
C47 C 0.6896(9) -0.2065(6) 0.1669(6) 0.050(2) Uani 1 1 d . . .
C48 C 0.5393(10) -0.2396(9) 0.1661(8) 0.080(3) Uani 1 1 d . . .
H48A H 0.5110 -0.1803 0.1610 0.120 Uiso 1 1 calc R . .
H48B H 0.5168 -0.2661 0.2221 0.120 Uiso 1 1 calc R . .
H48C H 0.4962 -0.2928 0.1148 0.120 Uiso 1 1 calc R . .
C49 C 0.7345(12) -0.3011(8) 0.1822(8) 0.089(4) Uani 1 1 d . . .
H49A H 0.6830 -0.3602 0.1380 0.133 Uiso 1 1 calc R . .
H49B H 0.7222 -0.3172 0.2430 0.133 Uiso 1 1 calc R . .
H49C H 0.8259 -0.2843 0.1751 0.133 Uiso 1 1 calc R . .
C50 C 0.7137(10) -0.1826(7) 0.0710(6) 0.065(3) Uani 1 1 d . . .
H50A H 0.6703 -0.2442 0.0273 0.098 Uiso 1 1 calc R . .
H50B H 0.8066 -0.1599 0.0678 0.098 Uiso 1 1 calc R . .
H50C H 0.6792 -0.1284 0.0573 0.098 Uiso 1 1 calc R . .
C51 C 0.6999(10) -0.1086(7) 0.3668(6) 0.060(3) Uani 1 1 d . . .
C52 C 0.5595(11) -0.1019(9) 0.3565(8) 0.082(4) Uani 1 1 d . . .
H52A H 0.5366 -0.0860 0.4162 0.123 Uiso 1 1 calc R . .
H52B H 0.4980 -0.1675 0.3265 0.123 Uiso 1 1 calc R . .
H52C H 0.5566 -0.0481 0.3205 0.123 Uiso 1 1 calc R . .
C53 C 0.6908(13) -0.2158(9) 0.3972(8) 0.093(4) Uani 1 1 d . . .
H53A H 0.7768 -0.2141 0.4223 0.140 Uiso 1 1 calc R . .
H53B H 0.6571 -0.2696 0.3452 0.140 Uiso 1 1 calc R . .
H53C H 0.6327 -0.2298 0.4430 0.140 Uiso 1 1 calc R . .
C54 C 0.7850(12) -0.0233(9) 0.4440(6) 0.080(3) Uani 1 1 d . . .
H54A H 0.7426 -0.0288 0.4983 0.120 Uiso 1 1 calc R . .
H54B H 0.7960 0.0439 0.4256 0.120 Uiso 1 1 calc R . .
H54C H 0.8697 -0.0314 0.4566 0.120 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
C10 Pt1 P1 103.4(3) . . ?
C10 Pt1 Ru2 78.7(3) . . ?
P1 Pt1 Ru2 165.89(5) . . ?
C10 Pt1 Ru1 136.0(3) . . ?
P1 Pt1 Ru1 120.61(5) . . ?
Ru2 Pt1 Ru1 58.57(2) . . ?
C10 Pt1 Pt2 96.0(3) . . ?
P1 Pt1 Pt2 134.96(5) . . ?
Ru2 Pt1 Pt2 57.585(17) . . ?
Ru1 Pt1 Pt2 53.639(16) . . ?
C10 Pt1 H1 177(4) . . ?
P1 Pt1 H1 80(4) . . ?
Ru2 Pt1 H1 98(4) . . ?
Ru1 Pt1 H1 41(4) . . ?
Pt2 Pt1 H1 81(4) . . ?
C20 Pt2 P2 101.2(3) . . ?
C20 Pt2 Ru1 80.2(3) . . ?
P2 Pt2 Ru1 172.59(5) . . ?
C20 Pt2 Ru2 137.8(3) . . ?
P2 Pt2 Ru2 120.83(6) . . ?
Ru1 Pt2 Ru2 58.68(2) . . ?
C20 Pt2 Pt1 97.8(3) . . ?
P2 Pt2 Pt1 128.72(5) . . ?
Ru1 Pt2 Pt1 57.787(17) . . ?
Ru2 Pt2 Pt1 53.730(16) . . ?
C20 Pt2 H2 173(3) . . ?
P2 Pt2 H2 83(3) . . ?
Ru1 Pt2 H2 96(3) . . ?
Ru2 Pt2 H2 38(3) . . ?
Pt1 Pt2 H2 75(3) . . ?
C13 Ru1 C12 97.2(4) . . ?
C13 Ru1 C11 96.2(5) . . ?
C12 Ru1 C11 92.0(5) . . ?
C13 Ru1 Pt2 80.0(3) . . ?
C12 Ru1 Pt2 163.5(4) . . ?
C11 Ru1 Pt2 104.4(3) . . ?
C13 Ru1 Ru2 85.6(3) . . ?
C12 Ru1 Ru2 100.7(4) . . ?
C11 Ru1 Ru2 166.9(3) . . ?
Pt2 Ru1 Ru2 63.02(2) . . ?
C13 Ru1 Pt1 139.7(3) . . ?
C12 Ru1 Pt1 105.8(3) . . ?
C11 Ru1 Pt1 115.2(3) . . ?
Pt2 Ru1 Pt1 68.574(18) . . ?
Ru2 Ru1 Pt1 58.22(2) . . ?
C13 Ru1 H1 171(3) . . ?
C12 Ru1 H1 92(3) . . ?
C11 Ru1 H1 83(3) . . ?
Pt2 Ru1 H1 91(3) . . ?
Ru2 Ru1 H1 93(3) . . ?
Pt1 Ru1 H1 36(3) . . ?
C22 Ru2 C23 95.1(5) . . ?
C22 Ru2 C21 97.1(5) . . ?
C23 Ru2 C21 92.3(5) . . ?
C22 Ru2 Pt1 84.3(3) . . ?
C23 Ru2 Pt1 162.8(4) . . ?
C21 Ru2 Pt1 104.8(3) . . ?
C22 Ru2 Ru1 84.8(3) . . ?
C23 Ru2 Ru1 99.6(4) . . ?
C21 Ru2 Ru1 167.7(3) . . ?
Pt1 Ru2 Ru1 63.22(2) . . ?
C22 Ru2 Pt2 141.0(3) . . ?
C23 Ru2 Pt2 102.6(3) . . ?
C21 Ru2 Pt2 116.3(3) . . ?
Pt1 Ru2 Pt2 68.684(18) . . ?
Ru1 Ru2 Pt2 58.29(2) . . ?
C22 Ru2 H2 170(3) . . ?
C23 Ru2 H2 95(3) . . ?
C21 Ru2 H2 83(3) . . ?
Pt1 Ru2 H2 86(3) . . ?
Ru1 Ru2 H2 93(3) . . ?
Pt2 Ru2 H2 35(3) . . ?
C31 P1 C35 108.4(4) . . ?
C31 P1 C39 108.0(4) . . ?
C35 P1 C39 108.7(4) . . ?
C31 P1 Pt1 114.7(3) . . ?
C35 P1 Pt1 105.3(3) . . ?
C39 P1 Pt1 111.6(3) . . ?
C47 P2 C51 107.4(4) . . ?
C47 P2 C43 109.8(4) . . ?
C51 P2 C43 109.5(4) . . ?
C47 P2 Pt2 111.3(3) . . ?
C51 P2 Pt2 112.2(3) . . ?
C43 P2 Pt2 106.7(3) . . ?
O10 C10 Pt1 174.8(9) . . ?
O11 C11 Ru1 176.6(10) . . ?
O12 C12 Ru1 177.7(10) . . ?
O13 C13 Ru1 179.4(11) . . ?
O20 C20 Pt2 174.6(9) . . ?
O21 C21 Ru2 176.8(11) . . ?
O22 C22 Ru2 175.7(11) . . ?
O23 C23 Ru2 175.9(13) . . ?
C33 C31 C34 109.1(8) . . ?
C33 C31 C32 105.4(8) . . ?
C34 C31 C32 108.4(8) . . ?
C33 C31 P1 109.6(6) . . ?
C34 C31 P1 114.6(7) . . ?
C32 C31 P1 109.3(6) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C37 107.7(8) . . ?
C36 C35 C38 105.3(8) . . ?
C37 C35 C38 108.4(8) . . ?
C36 C35 P1 111.3(6) . . ?
C37 C35 P1 115.9(6) . . ?
C38 C35 P1 107.7(6) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C41 107.5(8) . . ?
C40 C39 C42 107.1(8) . . ?
C41 C39 C42 108.0(8) . . ?
C40 C39 P1 115.7(7) . . ?
C41 C39 P1 108.5(6) . . ?
C42 C39 P1 109.9(6) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C46 C43 C44 107.7(8) . . ?
C46 C43 C45 107.7(8) . . ?
C44 C43 C45 108.2(7) . . ?
C46 C43 P2 110.8(6) . . ?
C44 C43 P2 108.1(6) . . ?
C45 C43 P2 114.2(7) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C50 C47 C48 105.8(8) . . ?
C50 C47 C49 107.5(8) . . ?
C48 C47 C49 108.6(8) . . ?
C50 C47 P2 110.2(6) . . ?
C48 C47 P2 110.0(7) . . ?
C49 C47 P2 114.4(6) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C54 C51 C52 108.1(9) . . ?
C54 C51 C53 107.8(9) . . ?
C52 C51 C53 107.6(8) . . ?
C54 C51 P2 108.6(6) . . ?
C52 C51 P2 110.3(7) . . ?
C53 C51 P2 114.3(8) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
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 C10 1.863(9) . ?
Pt1 P1 2.375(2) . ?
Pt1 Ru2 2.7228(8) . ?
Pt1 Ru1 2.8595(7) . ?
Pt1 Pt2 3.1462(5) . ?
Pt1 H1 1.73(11) . ?
Pt2 C20 1.865(9) . ?
Pt2 P2 2.374(2) . ?
Pt2 Ru1 2.7217(7) . ?
Pt2 Ru2 2.8510(8) . ?
Pt2 H2 1.70(8) . ?
Ru1 C13 1.875(10) . ?
Ru1 C12 1.878(10) . ?
Ru1 C11 1.897(12) . ?
Ru1 Ru2 2.7331(11) . ?
Ru1 H1 1.91(11) . ?
Ru2 C22 1.890(11) . ?
Ru2 C23 1.898(11) . ?
Ru2 C21 1.920(12) . ?
Ru2 H2 1.83(8) . ?
P1 C31 1.904(9) . ?
P1 C35 1.915(8) . ?
P1 C39 1.923(8) . ?
P2 C47 1.910(8) . ?
P2 C51 1.923(9) . ?
P2 C43 1.923(8) . ?
O10 C10 1.115(10) . ?
O11 C11 1.150(12) . ?
O12 C12 1.157(11) . ?
O13 C13 1.166(11) . ?
O20 C20 1.130(10) . ?
O21 C21 1.129(12) . ?
O22 C22 1.138(11) . ?
O23 C23 1.126(12) . ?
C31 C33 1.520(13) . ?
C31 C34 1.544(13) . ?
C31 C32 1.546(13) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.519(12) . ?
C35 C37 1.530(12) . ?
C35 C38 1.541(13) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 C40 1.531(12) . ?
C39 C41 1.543(13) . ?
C39 C42 1.548(12) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C46 1.515(14) . ?
C43 C44 1.521(12) . ?
C43 C45 1.564(12) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C50 1.516(13) . ?
C47 C48 1.540(13) . ?
C47 C49 1.549(13) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C54 1.531(13) . ?
C51 C52 1.544(15) . ?
C51 C53 1.556(13) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
