#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:50:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179157 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/18/4311876.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_4311876
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Perry J. Pellechia'
'Lei Zhu'
_publ_section_title
;
 Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis,
 Structures, and Dynamical Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7243
_journal_page_last               7249
_journal_paper_doi               10.1021/ic049004l
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C30 H35 O11 P Pt Ru5'
_chemical_formula_weight         1302.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.719(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9622(6)
_cell_length_b                   18.5553(11)
_cell_length_c                   21.1612(13)
_cell_measurement_reflns_used    3455
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.20
_cell_volume                     3866.5(4)
_computing_cell_refinement       'SAINT+  V6.2 (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT+  V6.2'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24752
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    5.600
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blade
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.217
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         7609
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0445
_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)+(0.0283P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0862
_reflns_number_gt                6028
_reflns_number_total             7609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049004lsi20040726_052505.cif
_cod_data_source_block           bch2ru5s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4311876
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.26508(3) 0.695880(16) 0.079532(12) 0.03409(9) Uani 1 1 d D . .
Ru1 Ru 0.29355(6) 0.70227(3) -0.06086(3) 0.03623(15) Uani 1 1 d . . .
Ru2 Ru 0.07765(6) 0.77793(3) -0.00617(3) 0.03861(15) Uani 1 1 d D . .
Ru3 Ru 0.28561(6) 0.85184(3) -0.05901(3) 0.04280(16) Uani 1 1 d . . .
Ru4 Ru 0.49378(6) 0.76122(3) 0.03808(3) 0.03774(15) Uani 1 1 d D . .
Ru5 Ru 0.29004(6) 0.85572(3) 0.07402(3) 0.04389(17) Uani 1 1 d . . .
P1 P 0.2390(2) 0.61077(11) 0.15730(8) 0.0423(5) Uani 1 1 d . . .
O11 O 0.3105(7) 0.5404(4) -0.0361(3) 0.083(2) Uani 1 1 d . . .
O12 O 0.0831(7) 0.6831(4) -0.1778(3) 0.097(2) Uani 1 1 d . . .
O13 O 0.5117(7) 0.6944(4) -0.1460(3) 0.092(2) Uani 1 1 d . . .
O21 O -0.1497(7) 0.6963(4) -0.0878(3) 0.096(2) Uani 1 1 d . . .
O22 O -0.1288(6) 0.8454(5) 0.0661(4) 0.116(3) Uani 1 1 d . . .
O23 O -0.0022(6) 0.8999(4) -0.0996(3) 0.0772(19) Uani 1 1 d . . .
O31 O 0.3025(8) 0.8445(5) -0.1996(3) 0.110(3) Uani 1 1 d . . .
O32 O 0.3107(8) 1.0137(4) -0.0645(4) 0.103(3) Uani 1 1 d . . .
O41 O 0.6690(7) 0.6347(4) 0.0096(4) 0.093(2) Uani 1 1 d . . .
O42 O 0.6761(7) 0.8047(5) 0.1605(3) 0.101(3) Uani 1 1 d . . .
O43 O 0.6396(6) 0.8576(3) -0.0455(3) 0.0705(18) Uani 1 1 d . . .
C1 C 0.2863(6) 0.7757(4) 0.0146(3) 0.0296(15) Uani 1 1 d . . .
C3 C 0.3575(15) 0.8833(6) 0.1751(5) 0.092(4) Uani 1 1 d . . .
H3 H 0.4027 0.8538 0.2069 0.111 Uiso 1 1 calc R . .
C4 C 0.2142(18) 0.8849(7) 0.1634(7) 0.114(6) Uani 1 1 d . . .
H4 H 0.1629 0.8566 0.1871 0.137 Uiso 1 1 calc R . .
C5 C 0.1517(12) 0.9308(7) 0.1147(7) 0.098(4) Uani 1 1 d . . .
H5 H 0.0576 0.9345 0.1067 0.118 Uiso 1 1 calc R . .
C6 C 0.2302(13) 0.9701(6) 0.0790(5) 0.084(3) Uani 1 1 d . . .
H6 H 0.1875 0.9985 0.0456 0.101 Uiso 1 1 calc R . .
C7 C 0.3658(12) 0.9689(5) 0.0906(5) 0.075(3) Uani 1 1 d . . .
H7 H 0.4163 0.9968 0.0662 0.090 Uiso 1 1 calc R . .
C8 C 0.4301(12) 0.9261(6) 0.1388(6) 0.087(3) Uani 1 1 d . . .
H8 H 0.5245 0.9259 0.1472 0.104 Uiso 1 1 calc R . .
C11 C 0.3015(9) 0.6014(5) -0.0396(4) 0.053(2) Uani 1 1 d . . .
C12 C 0.1578(9) 0.6913(5) -0.1321(4) 0.061(2) Uani 1 1 d . . .
C13 C 0.4310(8) 0.6976(5) -0.1134(4) 0.053(2) Uani 1 1 d . . .
C21 C -0.0637(8) 0.7249(5) -0.0586(4) 0.056(2) Uani 1 1 d . . .
C22 C -0.0498(8) 0.8213(5) 0.0387(4) 0.062(2) Uani 1 1 d . . .
C23 C 0.0768(8) 0.8607(4) -0.0718(4) 0.049(2) Uani 1 1 d . . .
C31 C 0.2970(9) 0.8455(5) -0.1472(4) 0.070(3) Uani 1 1 d . . .
C32 C 0.3013(9) 0.9519(5) -0.0604(4) 0.063(2) Uani 1 1 d . . .
C41 C 0.6045(8) 0.6822(5) 0.0192(4) 0.058(2) Uani 1 1 d . . .
C42 C 0.6082(8) 0.7907(5) 0.1151(4) 0.062(3) Uani 1 1 d . . .
C43 C 0.5734(8) 0.8254(5) -0.0169(4) 0.054(2) Uani 1 1 d . . .
C50 C 0.3941(11) 0.5502(6) 0.1768(5) 0.082(3) Uani 1 1 d . . .
C51 C 0.4255(16) 0.5126(9) 0.1202(6) 0.186(9) Uani 1 1 d . . .
H51A H 0.5059 0.4841 0.1315 0.280 Uiso 1 1 calc R . .
H51B H 0.4402 0.5473 0.0882 0.280 Uiso 1 1 calc R . .
H51C H 0.3509 0.4819 0.1036 0.280 Uiso 1 1 calc R . .
C52 C 0.3906(13) 0.4961(7) 0.2289(6) 0.155(7) Uani 1 1 d . . .
H52A H 0.3283 0.4582 0.2138 0.233 Uiso 1 1 calc R . .
H52B H 0.3615 0.5191 0.2651 0.233 Uiso 1 1 calc R . .
H52C H 0.4797 0.4762 0.2412 0.233 Uiso 1 1 calc R . .
C53 C 0.5196(13) 0.5969(8) 0.1994(9) 0.223(11) Uani 1 1 d . . .
H53A H 0.6003 0.5695 0.1970 0.334 Uiso 1 1 calc R . .
H53B H 0.5186 0.6117 0.2428 0.334 Uiso 1 1 calc R . .
H53C H 0.5182 0.6387 0.1726 0.334 Uiso 1 1 calc R . .
C54 C 0.0847(10) 0.5499(6) 0.1337(4) 0.076(3) Uani 1 1 d . . .
C55 C 0.0495(14) 0.4995(8) 0.1826(5) 0.183(8) Uani 1 1 d . . .
H55A H 0.0488 0.5249 0.2221 0.275 Uiso 1 1 calc R . .
H55B H 0.1157 0.4615 0.1890 0.275 Uiso 1 1 calc R . .
H55C H -0.0386 0.4793 0.1686 0.275 Uiso 1 1 calc R . .
C56 C 0.1061(16) 0.5069(9) 0.0756(6) 0.207(10) Uani 1 1 d . . .
H56A H 0.0641 0.4605 0.0770 0.311 Uiso 1 1 calc R . .
H56B H 0.2017 0.5008 0.0751 0.311 Uiso 1 1 calc R . .
H56C H 0.0663 0.5319 0.0376 0.311 Uiso 1 1 calc R . .
C57 C -0.0373(13) 0.5922(8) 0.1135(11) 0.260(13) Uani 1 1 d . . .
H57A H -0.1068 0.5617 0.0913 0.390 Uiso 1 1 calc R . .
H57B H -0.0172 0.6301 0.0854 0.390 Uiso 1 1 calc R . .
H57C H -0.0683 0.6128 0.1503 0.390 Uiso 1 1 calc R . .
C58 C 0.2144(11) 0.6597(5) 0.2327(4) 0.071(3) Uani 1 1 d . . .
C59 C 0.0882(17) 0.7084(7) 0.2167(6) 0.168(8) Uani 1 1 d . . .
H59A H 0.0718 0.7333 0.2546 0.252 Uiso 1 1 calc R . .
H59B H 0.0106 0.6794 0.2008 0.252 Uiso 1 1 calc R . .
H59C H 0.1035 0.7429 0.1847 0.252 Uiso 1 1 calc R . .
C60 C 0.3300(16) 0.7071(7) 0.2534(5) 0.162(8) Uani 1 1 d . . .
H60A H 0.3424 0.7392 0.2192 0.243 Uiso 1 1 calc R . .
H60B H 0.4104 0.6786 0.2648 0.243 Uiso 1 1 calc R . .
H60C H 0.3130 0.7346 0.2898 0.243 Uiso 1 1 calc R . .
C61 C 0.1938(11) 0.6143(6) 0.2911(4) 0.097(4) Uani 1 1 d . . .
H61A H 0.2588 0.5757 0.2964 0.145 Uiso 1 1 calc R . .
H61B H 0.1036 0.5946 0.2848 0.145 Uiso 1 1 calc R . .
H61C H 0.2061 0.6441 0.3286 0.145 Uiso 1 1 calc R . .
H1 H 0.442(2) 0.697(4) 0.091(3) 0.12(3) Uiso 1 1 d D . .
H2 H 0.093(2) 0.710(4) 0.053(3) 0.14(4) Uiso 1 1 d D . .
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
C1 Pt1 P1 176.64(18) . . ?
C1 Pt1 Ru4 46.79(16) . . ?
P1 Pt1 Ru4 133.74(5) . . ?
C1 Pt1 Ru2 46.39(16) . . ?
P1 Pt1 Ru2 133.09(5) . . ?
Ru4 Pt1 Ru2 93.129(19) . . ?
C1 Pt1 Ru5 40.37(17) . . ?
P1 Pt1 Ru5 136.31(5) . . ?
Ru4 Pt1 Ru5 59.103(18) . . ?
Ru2 Pt1 Ru5 59.480(18) . . ?
C1 Pt1 Ru1 44.02(17) . . ?
P1 Pt1 Ru1 139.32(5) . . ?
Ru4 Pt1 Ru1 58.711(17) . . ?
Ru2 Pt1 Ru1 60.199(17) . . ?
Ru5 Pt1 Ru1 84.368(17) . . ?
C1 Pt1 H1 82.9(7) . . ?
P1 Pt1 H1 97.6(7) . . ?
Ru4 Pt1 H1 36.2(7) . . ?
Ru2 Pt1 H1 129.3(7) . . ?
Ru5 Pt1 H1 85(2) . . ?
Ru1 Pt1 H1 84(2) . . ?
C1 Pt1 H2 82.3(7) . . ?
P1 Pt1 H2 97.2(8) . . ?
Ru4 Pt1 H2 129.1(7) . . ?
Ru2 Pt1 H2 36.0(7) . . ?
Ru5 Pt1 H2 85(2) . . ?
Ru1 Pt1 H2 85(2) . . ?
H1 Pt1 H2 165.2(11) . . ?
C12 Ru1 C13 91.2(4) . . ?
C12 Ru1 C11 94.6(4) . . ?
C13 Ru1 C11 94.8(3) . . ?
C12 Ru1 C1 125.1(3) . . ?
C13 Ru1 C1 125.8(3) . . ?
C11 Ru1 C1 117.2(3) . . ?
C12 Ru1 Ru3 95.8(3) . . ?
C13 Ru1 Ru3 94.5(3) . . ?
C11 Ru1 Ru3 165.8(2) . . ?
C1 Ru1 Ru3 48.62(18) . . ?
C12 Ru1 Ru4 163.8(3) . . ?
C13 Ru1 Ru4 87.8(3) . . ?
C11 Ru1 Ru4 101.6(2) . . ?
C1 Ru1 Ru4 45.86(16) . . ?
Ru3 Ru1 Ru4 68.17(2) . . ?
C12 Ru1 Ru2 83.5(3) . . ?
C13 Ru1 Ru2 152.7(3) . . ?
C11 Ru1 Ru2 112.2(2) . . ?
C1 Ru1 Ru2 44.28(16) . . ?
Ru3 Ru1 Ru2 59.63(2) . . ?
Ru4 Ru1 Ru2 89.99(2) . . ?
C12 Ru1 Pt1 128.3(3) . . ?
C13 Ru1 Pt1 139.3(2) . . ?
C11 Ru1 Pt1 74.9(2) . . ?
C1 Ru1 Pt1 42.59(18) . . ?
Ru3 Ru1 Pt1 91.04(2) . . ?
Ru4 Ru1 Pt1 57.269(16) . . ?
Ru2 Ru1 Pt1 56.720(16) . . ?
C22 Ru2 C21 91.1(4) . . ?
C22 Ru2 C1 129.7(3) . . ?
C21 Ru2 C1 137.6(3) . . ?
C22 Ru2 C23 95.0(4) . . ?
C21 Ru2 C23 93.7(3) . . ?
C1 Ru2 C23 93.4(3) . . ?
C22 Ru2 Pt1 109.6(3) . . ?
C21 Ru2 Pt1 116.5(3) . . ?
C1 Ru2 Pt1 46.24(18) . . ?
C23 Ru2 Pt1 139.6(2) . . ?
C22 Ru2 Ru3 125.4(3) . . ?
C21 Ru2 Ru3 122.1(2) . . ?
C1 Ru2 Ru3 47.38(18) . . ?
C23 Ru2 Ru3 46.3(2) . . ?
Pt1 Ru2 Ru3 93.54(2) . . ?
C22 Ru2 Ru5 88.9(3) . . ?
C21 Ru2 Ru5 179.1(3) . . ?
C1 Ru2 Ru5 42.19(17) . . ?
C23 Ru2 Ru5 87.2(2) . . ?
Pt1 Ru2 Ru5 62.669(19) . . ?
Ru3 Ru2 Ru5 58.60(2) . . ?
C22 Ru2 Ru1 172.7(3) . . ?
C21 Ru2 Ru1 92.5(3) . . ?
C1 Ru2 Ru1 45.66(17) . . ?
C23 Ru2 Ru1 91.1(2) . . ?
Pt1 Ru2 Ru1 63.081(17) . . ?
Ru3 Ru2 Ru1 57.19(2) . . ?
Ru5 Ru2 Ru1 87.45(2) . . ?
C22 Ru2 H2 87(2) . . ?
C21 Ru2 H2 91(2) . . ?
C1 Ru2 H2 81.8(7) . . ?
C23 Ru2 H2 174.8(14) . . ?
Pt1 Ru2 H2 35.5(7) . . ?
Ru3 Ru2 H2 129.0(8) . . ?
Ru5 Ru2 H2 88(2) . . ?
Ru1 Ru2 H2 87(2) . . ?
C32 Ru3 C31 91.6(4) . . ?
C32 Ru3 C23 90.2(3) . . ?
C31 Ru3 C23 94.9(3) . . ?
C32 Ru3 C1 133.7(3) . . ?
C31 Ru3 C1 134.1(3) . . ?
C23 Ru3 C1 92.3(3) . . ?
C32 Ru3 Ru1 173.1(3) . . ?
C31 Ru3 Ru1 85.3(3) . . ?
C23 Ru3 Ru1 96.2(2) . . ?
C1 Ru3 Ru1 48.84(17) . . ?
C32 Ru3 Ru5 90.1(3) . . ?
C31 Ru3 Ru5 175.2(3) . . ?
C23 Ru3 Ru5 89.5(2) . . ?
C1 Ru3 Ru5 43.70(17) . . ?
Ru1 Ru3 Ru5 92.50(2) . . ?
C32 Ru3 Ru2 123.6(3) . . ?
C31 Ru3 Ru2 120.9(3) . . ?
C23 Ru3 Ru2 46.5(2) . . ?
C1 Ru3 Ru2 46.12(16) . . ?
Ru1 Ru3 Ru2 63.17(2) . . ?
Ru5 Ru3 Ru2 61.40(2) . . ?
C41 Ru4 C43 92.6(3) . . ?
C41 Ru4 C42 96.2(4) . . ?
C43 Ru4 C42 95.2(4) . . ?
C41 Ru4 C1 129.5(3) . . ?
C43 Ru4 C1 105.3(3) . . ?
C42 Ru4 C1 127.6(3) . . ?
C41 Ru4 Pt1 104.6(3) . . ?
C43 Ru4 Pt1 151.5(3) . . ?
C42 Ru4 Pt1 105.1(2) . . ?
C1 Ru4 Pt1 46.33(18) . . ?
C41 Ru4 Ru5 167.6(3) . . ?
C43 Ru4 Ru5 98.9(2) . . ?
C42 Ru4 Ru5 87.4(3) . . ?
C1 Ru4 Ru5 42.57(17) . . ?
Pt1 Ru4 Ru5 62.973(19) . . ?
C41 Ru4 Ru1 85.1(3) . . ?
C43 Ru4 Ru1 95.7(3) . . ?
C42 Ru4 Ru1 169.0(2) . . ?
C1 Ru4 Ru1 47.00(17) . . ?
Pt1 Ru4 Ru1 64.019(17) . . ?
Ru5 Ru4 Ru1 89.14(2) . . ?
C41 Ru4 H1 81(2) . . ?
C43 Ru4 H1 172.4(11) . . ?
C42 Ru4 H1 81(2) . . ?
C1 Ru4 H1 82.0(7) . . ?
Pt1 Ru4 H1 35.7(7) . . ?
Ru5 Ru4 H1 88(2) . . ?
Ru1 Ru4 H1 88(2) . . ?
C1 Ru5 C3 141.2(4) . . ?
C1 Ru5 C4 140.0(4) . . ?
C3 Ru5 C4 37.3(4) . . ?
C1 Ru5 C6 141.7(3) . . ?
C3 Ru5 C6 77.0(4) . . ?
C4 Ru5 C6 66.1(4) . . ?
C1 Ru5 C5 141.0(4) . . ?
C3 Ru5 C5 66.0(5) . . ?
C4 Ru5 C5 37.0(4) . . ?
C6 Ru5 C5 36.2(4) . . ?
C1 Ru5 C8 142.8(3) . . ?
C3 Ru5 C8 36.4(4) . . ?
C4 Ru5 C8 66.0(5) . . ?
C6 Ru5 C8 63.6(4) . . ?
C5 Ru5 C8 76.2(4) . . ?
C1 Ru5 C7 142.2(3) . . ?
C3 Ru5 C7 65.4(4) . . ?
C4 Ru5 C7 77.7(4) . . ?
C6 Ru5 C7 34.9(3) . . ?
C5 Ru5 C7 64.3(4) . . ?
C8 Ru5 C7 35.8(4) . . ?
C1 Ru5 Ru3 48.37(19) . . ?
C3 Ru5 Ru3 159.2(4) . . ?
C4 Ru5 Ru3 155.4(5) . . ?
C6 Ru5 Ru3 96.2(3) . . ?
C5 Ru5 Ru3 119.2(4) . . ?
C8 Ru5 Ru3 123.0(3) . . ?
C7 Ru5 Ru3 97.7(3) . . ?
C1 Ru5 Ru4 46.10(17) . . ?
C3 Ru5 Ru4 106.0(4) . . ?
C4 Ru5 Ru4 136.4(5) . . ?
C6 Ru5 Ru4 143.6(4) . . ?
C5 Ru5 Ru4 172.0(4) . . ?
C8 Ru5 Ru4 96.8(3) . . ?
C7 Ru5 Ru4 112.3(3) . . ?
Ru3 Ru5 Ru4 67.87(2) . . ?
C1 Ru5 Ru2 45.37(17) . . ?
C3 Ru5 Ru2 140.8(4) . . ?
C4 Ru5 Ru2 108.1(4) . . ?
C6 Ru5 Ru2 109.2(3) . . ?
C5 Ru5 Ru2 95.7(3) . . ?
C8 Ru5 Ru2 171.8(3) . . ?
C7 Ru5 Ru2 139.4(3) . . ?
Ru3 Ru5 Ru2 60.00(2) . . ?
Ru4 Ru5 Ru2 91.35(2) . . ?
C1 Ru5 Pt1 43.22(19) . . ?
C3 Ru5 Pt1 102.0(3) . . ?
C4 Ru5 Pt1 99.7(3) . . ?
C6 Ru5 Pt1 158.2(4) . . ?
C5 Ru5 Pt1 123.2(4) . . ?
C8 Ru5 Pt1 127.5(3) . . ?
C7 Ru5 Pt1 162.7(3) . . ?
Ru3 Ru5 Pt1 91.43(2) . . ?
Ru4 Ru5 Pt1 57.924(17) . . ?
Ru2 Ru5 Pt1 57.851(18) . . ?
C58 P1 C50 107.8(5) . . ?
C58 P1 C54 107.7(4) . . ?
C50 P1 C54 107.6(5) . . ?
C58 P1 Pt1 108.4(3) . . ?
C50 P1 Pt1 112.4(3) . . ?
C54 P1 Pt1 112.9(3) . . ?
Ru5 C1 Pt1 96.4(3) . . ?
Ru5 C1 Ru2 92.4(2) . . ?
Pt1 C1 Ru2 87.4(2) . . ?
Ru5 C1 Ru4 91.3(3) . . ?
Pt1 C1 Ru4 86.9(2) . . ?
Ru2 C1 Ru4 173.4(4) . . ?
Ru5 C1 Ru3 87.9(3) . . ?
Pt1 C1 Ru3 172.6(3) . . ?
Ru2 C1 Ru3 86.5(2) . . ?
Ru4 C1 Ru3 99.0(3) . . ?
Ru5 C1 Ru1 170.0(4) . . ?
Pt1 C1 Ru1 93.4(3) . . ?
Ru2 C1 Ru1 90.1(2) . . ?
Ru4 C1 Ru1 87.1(2) . . ?
Ru3 C1 Ru1 82.5(2) . . ?
C8 C3 C4 119.4(12) . . ?
C8 C3 Ru5 72.7(6) . . ?
C4 C3 Ru5 71.6(6) . . ?
C8 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
Ru5 C3 H3 127.5 . . ?
C5 C4 C3 117.6(11) . . ?
C5 C4 Ru5 72.0(6) . . ?
C3 C4 Ru5 71.1(6) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
Ru5 C4 H4 127.6 . . ?
C6 C5 C4 119.9(12) . . ?
C6 C5 Ru5 71.5(6) . . ?
C4 C5 Ru5 71.0(6) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
Ru5 C5 H5 130.0 . . ?
C7 C6 C5 122.1(11) . . ?
C7 C6 Ru5 73.7(6) . . ?
C5 C6 Ru5 72.3(6) . . ?
C7 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
Ru5 C6 H6 127.1 . . ?
C6 C7 C8 119.5(11) . . ?
C6 C7 Ru5 71.4(6) . . ?
C8 C7 Ru5 71.5(6) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
Ru5 C7 H7 129.2 . . ?
C7 C8 C3 121.4(11) . . ?
C7 C8 Ru5 72.7(6) . . ?
C3 C8 Ru5 70.9(6) . . ?
C7 C8 H8 119.3 . . ?
C3 C8 H8 119.3 . . ?
Ru5 C8 H8 129.6 . . ?
O11 C11 Ru1 169.7(7) . . ?
O12 C12 Ru1 174.8(9) . . ?
O13 C13 Ru1 178.6(8) . . ?
O21 C21 Ru2 176.6(9) . . ?
O22 C22 Ru2 177.8(9) . . ?
O23 C23 Ru3 135.0(7) . . ?
O23 C23 Ru2 137.5(6) . . ?
Ru3 C23 Ru2 87.2(3) . . ?
O31 C31 Ru3 177.3(9) . . ?
O32 C32 Ru3 176.6(9) . . ?
O41 C41 Ru4 178.1(8) . . ?
O42 C42 Ru4 176.9(9) . . ?
O43 C43 Ru4 168.8(8) . . ?
C51 C50 C52 108.4(11) . . ?
C51 C50 C53 105.0(11) . . ?
C52 C50 C53 105.0(11) . . ?
C51 C50 P1 111.8(8) . . ?
C52 C50 P1 116.6(7) . . ?
C53 C50 P1 109.3(8) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C57 C54 C55 105.8(11) . . ?
C57 C54 C56 105.1(12) . . ?
C55 C54 C56 108.3(11) . . ?
C57 C54 P1 111.1(8) . . ?
C55 C54 P1 117.3(7) . . ?
C56 C54 P1 108.6(7) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C60 C58 C61 106.6(8) . . ?
C60 C58 C59 107.0(11) . . ?
C61 C58 C59 107.2(8) . . ?
C60 C58 P1 110.2(7) . . ?
C61 C58 P1 117.8(7) . . ?
C59 C58 P1 107.6(7) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 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 C1 2.054(7) . ?
Pt1 P1 2.3237(19) . ?
Pt1 Ru4 2.8348(6) . ?
Pt1 Ru2 2.8402(7) . ?
Pt1 Ru5 2.9801(7) . ?
Pt1 Ru1 3.0293(6) . ?
Pt1 H1 1.74(2) . ?
Pt1 H2 1.74(2) . ?
Ru1 C12 1.878(9) . ?
Ru1 C13 1.892(8) . ?
Ru1 C11 1.924(9) . ?
Ru1 C1 2.109(6) . ?
Ru1 Ru3 2.7768(9) . ?
Ru1 Ru4 2.8797(8) . ?
Ru1 Ru2 2.9481(8) . ?
Ru2 C22 1.877(8) . ?
Ru2 C21 1.926(9) . ?
Ru2 C1 2.058(6) . ?
Ru2 C23 2.069(8) . ?
Ru2 Ru3 2.8505(8) . ?
Ru2 Ru5 2.8898(9) . ?
Ru2 H2 1.76(2) . ?
Ru3 C32 1.864(10) . ?
Ru3 C31 1.890(9) . ?
Ru3 C23 2.064(7) . ?
Ru3 C1 2.101(7) . ?
Ru3 Ru5 2.8095(9) . ?
Ru4 C41 1.913(9) . ?
Ru4 C43 1.918(8) . ?
Ru4 C42 1.921(9) . ?
Ru4 C1 2.069(6) . ?
Ru4 Ru5 2.8707(8) . ?
Ru4 H1 1.76(2) . ?
Ru5 C1 1.942(6) . ?
Ru5 C3 2.203(9) . ?
Ru5 C4 2.209(10) . ?
Ru5 C6 2.212(10) . ?
Ru5 C5 2.223(9) . ?
Ru5 C8 2.225(9) . ?
Ru5 C7 2.241(9) . ?
P1 C58 1.885(8) . ?
P1 C50 1.905(10) . ?
P1 C54 1.911(9) . ?
O11 C11 1.138(9) . ?
O12 C12 1.137(9) . ?
O13 C13 1.138(8) . ?
O21 C21 1.111(9) . ?
O22 C22 1.139(9) . ?
O23 C23 1.163(8) . ?
O31 C31 1.119(9) . ?
O32 C32 1.155(10) . ?
O41 C41 1.127(9) . ?
O42 C42 1.119(9) . ?
O43 C43 1.132(8) . ?
C3 C8 1.383(14) . ?
C3 C4 1.412(16) . ?
C3 H3 0.9300 . ?
C4 C5 1.407(17) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(15) . ?
C5 H5 0.9300 . ?
C6 C7 1.336(13) . ?
C6 H6 0.9300 . ?
C7 C8 1.372(14) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C50 C51 1.462(14) . ?
C50 C52 1.495(12) . ?
C50 C53 1.536(16) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
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 C57 1.456(16) . ?
C54 C55 1.476(12) . ?
C54 C56 1.509(15) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 C60 1.462(13) . ?
C58 C61 1.535(11) . ?
C58 C59 1.544(15) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
