#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:50:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179157 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/18/4311873.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_4311873
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            'C31 H33 O12 P Pt Ru5'
_chemical_formula_weight         1328.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 101.8170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2809(6)
_cell_length_b                   16.3600(7)
_cell_length_c                   19.0208(9)
_cell_measurement_reflns_used    5277
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.20
_cell_volume                     3740.6(3)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28484
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    5.793
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Dark
_exptl_crystal_density_diffrn    2.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         9288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0206P)²+0.4098P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0479
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                8190
_reflns_number_total             9288
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049004lsi20040726_052056.cif
_cod_data_source_block           bcru5bzs
_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               4311873
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.105327(9) 0.276745(7) 0.144785(6) 0.03068(4) Uani 1 1 d . . .
Ru1 Ru 0.226327(19) 0.384507(14) 0.255050(12) 0.03099(5) Uani 1 1 d . . .
Ru2 Ru 0.326321(18) 0.316005(14) 0.140543(12) 0.03071(5) Uani 1 1 d . . .
Ru3 Ru 0.429121(19) 0.291504(15) 0.283586(13) 0.03545(6) Uani 1 1 d . . .
Ru4 Ru 0.24556(2) 0.229667(15) 0.327321(13) 0.03719(6) Uani 1 1 d . . .
Ru5 Ru 0.31361(2) 0.158757(14) 0.207301(14) 0.03608(6) Uani 1 1 d . . .
P1 P -0.07998(6) 0.26034(5) 0.08656(4) 0.03232(16) Uani 1 1 d . . .
O11 O 0.0088(2) 0.41863(16) 0.30195(16) 0.0663(7) Uani 1 1 d . . .
O12 O 0.1885(3) 0.52808(17) 0.15249(16) 0.0823(9) Uani 1 1 d . . .
O13 O 0.3402(2) 0.49631(16) 0.37439(16) 0.0721(8) Uani 1 1 d . . .
O21 O 0.4014(3) 0.47555(16) 0.08633(17) 0.0796(9) Uani 1 1 d . . .
O22 O 0.4551(2) 0.23184(17) 0.04303(15) 0.0680(8) Uani 1 1 d . . .
O23 O 0.15179(19) 0.33212(17) 0.00706(12) 0.0572(7) Uani 1 1 d . . .
O31 O 0.5252(2) 0.3806(2) 0.42294(16) 0.0816(9) Uani 1 1 d . . .
O32 O 0.5961(2) 0.36772(16) 0.20650(15) 0.0630(7) Uani 1 1 d . . .
O33 O 0.6011(3) 0.15988(19) 0.32767(19) 0.0941(11) Uani 1 1 d . . .
O41 O 0.2232(2) 0.34036(18) 0.45089(14) 0.0697(8) Uani 1 1 d . . .
O42 O 0.3963(3) 0.1124(2) 0.42508(17) 0.0951(11) Uani 1 1 d . . .
O43 O 0.0494(2) 0.11947(17) 0.33489(15) 0.0715(8) Uani 1 1 d . . .
C1 C 0.2561(2) 0.26503(16) 0.22354(15) 0.0285(6) Uani 1 1 d . . .
C2 C 0.3895(5) 0.0778(2) 0.1345(4) 0.0874(17) Uani 1 1 d . . .
H2 H 0.4312 0.0914 0.1006 0.105 Uiso 1 1 calc R . .
C3 C 0.2743(5) 0.0743(2) 0.1149(2) 0.0708(13) Uani 1 1 d . . .
H3 H 0.2387 0.0877 0.0683 0.085 Uiso 1 1 calc R . .
C4 C 0.2123(4) 0.0506(2) 0.1651(3) 0.0687(12) Uani 1 1 d . . .
H4 H 0.1354 0.0452 0.1521 0.082 Uiso 1 1 calc R . .
C5 C 0.2677(5) 0.0355(2) 0.2343(3) 0.0780(14) Uani 1 1 d . . .
H5 H 0.2278 0.0205 0.2689 0.094 Uiso 1 1 calc R . .
C6 C 0.3821(6) 0.0423(3) 0.2530(3) 0.099(2) Uani 1 1 d . . .
H6 H 0.4181 0.0335 0.3004 0.119 Uiso 1 1 calc R . .
C7 C 0.4417(4) 0.0613(3) 0.2037(5) 0.103(2) Uani 1 1 d . . .
H7 H 0.5190 0.0633 0.2165 0.124 Uiso 1 1 calc R . .
C11 C 0.0874(3) 0.40303(19) 0.28181(18) 0.0438(7) Uani 1 1 d . . .
C12 C 0.2059(3) 0.4725(2) 0.18887(19) 0.0515(9) Uani 1 1 d . . .
C13 C 0.3026(3) 0.45201(19) 0.33006(19) 0.0455(8) Uani 1 1 d . . .
C21 C 0.3694(3) 0.4170(2) 0.10636(18) 0.0465(8) Uani 1 1 d . . .
C22 C 0.4059(3) 0.2614(2) 0.08076(18) 0.0421(7) Uani 1 1 d . . .
C23 C 0.1830(2) 0.31609(19) 0.06742(16) 0.0368(6) Uani 1 1 d . . .
C31 C 0.4862(3) 0.3490(2) 0.3703(2) 0.0540(9) Uani 1 1 d . . .
C32 C 0.5221(3) 0.34086(19) 0.2270(2) 0.0469(8) Uani 1 1 d . . .
C33 C 0.5314(3) 0.2064(2) 0.3097(2) 0.0629(11) Uani 1 1 d . . .
C41 C 0.2297(3) 0.2996(2) 0.40407(18) 0.0476(8) Uani 1 1 d . . .
C42 C 0.3406(3) 0.1562(2) 0.3872(2) 0.0622(10) Uani 1 1 d . . .
C43 C 0.1179(3) 0.1639(2) 0.32933(18) 0.0494(8) Uani 1 1 d . . .
C50 C -0.1528(3) 0.36215(19) 0.05961(17) 0.0408(7) Uani 1 1 d . . .
C51 C -0.1680(3) 0.4083(2) 0.1268(2) 0.0531(9) Uani 1 1 d . . .
H51A H -0.0990 0.4088 0.1613 0.080 Uiso 1 1 calc R . .
H51B H -0.2241 0.3817 0.1471 0.080 Uiso 1 1 calc R . .
H51C H -0.1907 0.4635 0.1141 0.080 Uiso 1 1 calc R . .
C52 C -0.0765(3) 0.4162(2) 0.0248(2) 0.0538(9) Uani 1 1 d . . .
H52A H -0.1108 0.4686 0.0134 0.081 Uiso 1 1 calc R . .
H52B H -0.0644 0.3907 -0.0184 0.081 Uiso 1 1 calc R . .
H52C H -0.0065 0.4232 0.0576 0.081 Uiso 1 1 calc R . .
C53 C -0.2678(3) 0.3553(3) 0.0097(2) 0.0670(11) Uani 1 1 d . . .
H53A H -0.3124 0.3167 0.0292 0.100 Uiso 1 1 calc R . .
H53B H -0.2592 0.3372 -0.0369 0.100 Uiso 1 1 calc R . .
H53C H -0.3035 0.4078 0.0054 0.100 Uiso 1 1 calc R . .
C54 C -0.0992(3) 0.1930(2) 0.00216(18) 0.0462(8) Uani 1 1 d . . .
C55 C -0.0776(4) 0.2412(3) -0.0628(2) 0.0661(11) Uani 1 1 d . . .
H55A H -0.0781 0.2044 -0.1022 0.099 Uiso 1 1 calc R . .
H55B H -0.0065 0.2676 -0.0504 0.099 Uiso 1 1 calc R . .
H55C H -0.1347 0.2816 -0.0764 0.099 Uiso 1 1 calc R . .
C56 C -0.2140(3) 0.1517(3) -0.0201(2) 0.0693(12) Uani 1 1 d . . .
H56A H -0.2711 0.1928 -0.0284 0.104 Uiso 1 1 calc R . .
H56B H -0.2259 0.1159 0.0176 0.104 Uiso 1 1 calc R . .
H56C H -0.2166 0.1207 -0.0632 0.104 Uiso 1 1 calc R . .
C57 C -0.0102(3) 0.1253(2) 0.0154(2) 0.0609(10) Uani 1 1 d . . .
H57A H -0.0118 0.0956 -0.0284 0.091 Uiso 1 1 calc R . .
H57B H -0.0251 0.0885 0.0516 0.091 Uiso 1 1 calc R . .
H57C H 0.0620 0.1494 0.0311 0.091 Uiso 1 1 calc R . .
C58 C -0.1527(2) 0.20748(18) 0.15391(18) 0.0384(7) Uani 1 1 d . . .
C59 C -0.2801(3) 0.2041(2) 0.1348(2) 0.0536(9) Uani 1 1 d . . .
H59A H -0.3071 0.1752 0.1716 0.080 Uiso 1 1 calc R . .
H59B H -0.3035 0.1764 0.0897 0.080 Uiso 1 1 calc R . .
H59C H -0.3094 0.2587 0.1310 0.080 Uiso 1 1 calc R . .
C60 C -0.1075(3) 0.11976(19) 0.16516(19) 0.0494(8) Uani 1 1 d . . .
H60A H -0.0277 0.1210 0.1751 0.074 Uiso 1 1 calc R . .
H60B H -0.1341 0.0882 0.1225 0.074 Uiso 1 1 calc R . .
H60C H -0.1326 0.0953 0.2049 0.074 Uiso 1 1 calc R . .
C61 C -0.1203(3) 0.2493(2) 0.22741(18) 0.0462(8) Uani 1 1 d . . .
H61A H -0.1566 0.3014 0.2257 0.069 Uiso 1 1 calc R . .
H61B H -0.0411 0.2570 0.2392 0.069 Uiso 1 1 calc R . .
H61C H -0.1428 0.2157 0.2633 0.069 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
C23 Pt1 C1 93.91(11) . . ?
C23 Pt1 P1 104.58(8) . . ?
C1 Pt1 P1 160.49(8) . . ?
C23 Pt1 Ru2 45.64(8) . . ?
C1 Pt1 Ru2 48.45(7) . . ?
P1 Pt1 Ru2 150.19(2) . . ?
C23 Pt1 Ru1 94.85(8) . . ?
C1 Pt1 Ru1 46.15(7) . . ?
P1 Pt1 Ru1 135.84(2) . . ?
Ru2 Pt1 Ru1 61.777(7) . . ?
C23 Pt1 Ru5 90.11(8) . . ?
C1 Pt1 Ru5 35.10(7) . . ?
P1 Pt1 Ru5 136.69(2) . . ?
Ru2 Pt1 Ru5 56.620(7) . . ?
Ru1 Pt1 Ru5 81.227(7) . . ?
C23 Pt1 Ru4 124.28(8) . . ?
C1 Pt1 Ru4 30.41(7) . . ?
P1 Pt1 Ru4 130.95(2) . . ?
Ru2 Pt1 Ru4 78.684(7) . . ?
Ru1 Pt1 Ru4 50.622(7) . . ?
Ru5 Pt1 Ru4 48.401(6) . . ?
C13 Ru1 C12 92.02(15) . . ?
C13 Ru1 C11 92.17(14) . . ?
C12 Ru1 C11 93.04(15) . . ?
C13 Ru1 C1 132.08(12) . . ?
C12 Ru1 C1 121.66(13) . . ?
C11 Ru1 C1 116.32(12) . . ?
C13 Ru1 Ru4 100.05(10) . . ?
C12 Ru1 Ru4 167.39(11) . . ?
C11 Ru1 Ru4 90.16(10) . . ?
C1 Ru1 Ru4 46.55(7) . . ?
C13 Ru1 Ru3 83.72(9) . . ?
C12 Ru1 Ru3 121.28(11) . . ?
C11 Ru1 Ru3 145.49(10) . . ?
C1 Ru1 Ru3 50.63(7) . . ?
Ru4 Ru1 Ru3 57.239(8) . . ?
C13 Ru1 Pt1 177.40(11) . . ?
C12 Ru1 Pt1 90.17(11) . . ?
C11 Ru1 Pt1 86.31(9) . . ?
C1 Ru1 Pt1 47.30(7) . . ?
Ru4 Ru1 Pt1 77.866(8) . . ?
Ru3 Ru1 Pt1 96.341(9) . . ?
C13 Ru1 Ru2 124.38(11) . . ?
C12 Ru1 Ru2 79.36(11) . . ?
C11 Ru1 Ru2 142.61(10) . . ?
C1 Ru1 Ru2 46.21(7) . . ?
Ru4 Ru1 Ru2 90.718(9) . . ?
Ru3 Ru1 Ru2 57.284(8) . . ?
Pt1 Ru1 Ru2 57.456(7) . . ?
C22 Ru2 C21 89.46(15) . . ?
C22 Ru2 C23 94.13(13) . . ?
C21 Ru2 C23 91.63(14) . . ?
C22 Ru2 C1 127.41(12) . . ?
C21 Ru2 C1 141.79(13) . . ?
C23 Ru2 C1 94.82(11) . . ?
C22 Ru2 Ru3 109.66(10) . . ?
C21 Ru2 Ru3 111.05(10) . . ?
C23 Ru2 Ru3 146.63(8) . . ?
C1 Ru2 Ru3 52.22(7) . . ?
C22 Ru2 Pt1 122.45(10) . . ?
C21 Ru2 Pt1 123.40(11) . . ?
C23 Ru2 Pt1 45.91(8) . . ?
C1 Ru2 Pt1 49.08(7) . . ?
Ru3 Ru2 Pt1 100.757(9) . . ?
C22 Ru2 Ru5 85.62(10) . . ?
C21 Ru2 Ru5 166.95(10) . . ?
C23 Ru2 Ru5 100.76(9) . . ?
C1 Ru2 Ru5 41.81(7) . . ?
Ru3 Ru2 Ru5 59.764(9) . . ?
Pt1 Ru2 Ru5 69.127(7) . . ?
C22 Ru2 Ru1 169.69(10) . . ?
C21 Ru2 Ru1 96.37(11) . . ?
C23 Ru2 Ru1 94.21(9) . . ?
C1 Ru2 Ru1 45.65(7) . . ?
Ru3 Ru2 Ru1 60.286(9) . . ?
Pt1 Ru2 Ru1 60.768(7) . . ?
Ru5 Ru2 Ru1 86.865(9) . . ?
C33 Ru3 C32 91.00(17) . . ?
C33 Ru3 C31 91.71(16) . . ?
C32 Ru3 C31 97.09(16) . . ?
C33 Ru3 C1 120.41(14) . . ?
C32 Ru3 C1 114.23(13) . . ?
C31 Ru3 C1 132.87(13) . . ?
C33 Ru3 Ru4 101.15(14) . . ?
C32 Ru3 Ru4 162.08(11) . . ?
C31 Ru3 Ru4 95.67(12) . . ?
C1 Ru3 Ru4 48.11(7) . . ?
C33 Ru3 Ru2 120.74(14) . . ?
C32 Ru3 Ru2 65.82(11) . . ?
C31 Ru3 Ru2 142.05(12) . . ?
C1 Ru3 Ru2 48.41(7) . . ?
Ru4 Ru3 Ru2 96.477(10) . . ?
C33 Ru3 Ru5 78.68(12) . . ?
C32 Ru3 Ru5 109.38(10) . . ?
C31 Ru3 Ru5 151.82(12) . . ?
C1 Ru3 Ru5 42.73(7) . . ?
Ru4 Ru3 Ru5 61.083(9) . . ?
Ru2 Ru3 Ru5 61.933(9) . . ?
C33 Ru3 Ru1 162.17(13) . . ?
C32 Ru3 Ru1 105.42(10) . . ?
C31 Ru3 Ru1 93.05(10) . . ?
C1 Ru3 Ru1 46.44(7) . . ?
Ru4 Ru3 Ru1 61.288(9) . . ?
Ru2 Ru3 Ru1 62.430(8) . . ?
Ru5 Ru3 Ru1 89.165(10) . . ?
C42 Ru4 C41 93.89(16) . . ?
C42 Ru4 C43 92.19(17) . . ?
C41 Ru4 C43 96.34(15) . . ?
C42 Ru4 C1 126.65(14) . . ?
C41 Ru4 C1 126.68(12) . . ?
C43 Ru4 C1 112.70(13) . . ?
C42 Ru4 Ru3 88.44(13) . . ?
C41 Ru4 Ru3 103.33(11) . . ?
C43 Ru4 Ru3 160.23(11) . . ?
C1 Ru4 Ru3 53.00(7) . . ?
C42 Ru4 Ru5 88.70(12) . . ?
C41 Ru4 Ru5 163.87(11) . . ?
C43 Ru4 Ru5 99.47(11) . . ?
C1 Ru4 Ru5 42.76(7) . . ?
Ru3 Ru4 Ru5 60.787(9) . . ?
C42 Ru4 Ru1 146.28(13) . . ?
C41 Ru4 Ru1 79.91(10) . . ?
C43 Ru4 Ru1 121.33(10) . . ?
C1 Ru4 Ru1 46.90(7) . . ?
Ru3 Ru4 Ru1 61.473(8) . . ?
Ru5 Ru4 Ru1 89.105(10) . . ?
C42 Ru4 Pt1 145.75(12) . . ?
C41 Ru4 Pt1 120.36(10) . . ?
C43 Ru4 Pt1 84.72(10) . . ?
C1 Ru4 Pt1 31.26(7) . . ?
Ru3 Ru4 Pt1 83.703(8) . . ?
Ru5 Ru4 Pt1 58.449(7) . . ?
Ru1 Ru4 Pt1 51.512(6) . . ?
C1 Ru5 C5 132.51(16) . . ?
C1 Ru5 C6 147.78(18) . . ?
C5 Ru5 C6 36.8(2) . . ?
C1 Ru5 C3 131.66(14) . . ?
C5 Ru5 C3 65.49(17) . . ?
C6 Ru5 C3 77.01(17) . . ?
C1 Ru5 C4 125.59(13) . . ?
C5 Ru5 C4 36.43(17) . . ?
C6 Ru5 C4 65.83(19) . . ?
C3 Ru5 C4 36.67(17) . . ?
C1 Ru5 C2 147.31(16) . . ?
C5 Ru5 C2 76.15(16) . . ?
C6 Ru5 C2 63.8(2) . . ?
C3 Ru5 C2 36.24(18) . . ?
C4 Ru5 C2 65.15(17) . . ?
C1 Ru5 C7 157.85(16) . . ?
C5 Ru5 C7 64.4(2) . . ?
C6 Ru5 C7 35.1(2) . . ?
C3 Ru5 C7 64.72(19) . . ?
C4 Ru5 C7 76.56(17) . . ?
C2 Ru5 C7 35.4(2) . . ?
C1 Ru5 Ru3 52.10(8) . . ?
C5 Ru5 Ru3 135.66(14) . . ?
C6 Ru5 Ru3 110.69(15) . . ?
C3 Ru5 Ru3 153.30(14) . . ?
C4 Ru5 Ru3 169.92(14) . . ?
C2 Ru5 Ru3 122.71(15) . . ?
C7 Ru5 Ru3 106.23(13) . . ?
C1 Ru5 Ru4 47.39(8) . . ?
C5 Ru5 Ru4 93.18(12) . . ?
C6 Ru5 Ru4 100.90(18) . . ?
C3 Ru5 Ru4 147.56(15) . . ?
C4 Ru5 Ru4 112.48(13) . . ?
C2 Ru5 Ru4 164.45(17) . . ?
C7 Ru5 Ru4 129.6(2) . . ?
Ru3 Ru5 Ru4 58.130(9) . . ?
C1 Ru5 Ru2 47.19(8) . . ?
C5 Ru5 Ru2 165.09(16) . . ?
C6 Ru5 Ru2 154.0(2) . . ?
C3 Ru5 Ru2 103.29(11) . . ?
C4 Ru5 Ru2 128.95(13) . . ?
C2 Ru5 Ru2 100.80(12) . . ?
C7 Ru5 Ru2 121.1(2) . . ?
Ru3 Ru5 Ru2 58.303(9) . . ?
Ru4 Ru5 Ru2 92.346(10) . . ?
C1 Ru5 Pt1 39.71(8) . . ?
C5 Ru5 Pt1 114.55(17) . . ?
C6 Ru5 Pt1 151.3(2) . . ?
C3 Ru5 Pt1 93.05(12) . . ?
C4 Ru5 Pt1 90.01(11) . . ?
C2 Ru5 Pt1 121.43(19) . . ?
C7 Ru5 Pt1 156.6(2) . . ?
Ru3 Ru5 Pt1 90.354(9) . . ?
Ru4 Ru5 Pt1 73.150(8) . . ?
Ru2 Ru5 Pt1 54.253(7) . . ?
C50 P1 C58 108.48(14) . . ?
C50 P1 C54 107.77(15) . . ?
C58 P1 C54 107.83(14) . . ?
C50 P1 Pt1 112.61(10) . . ?
C58 P1 Pt1 106.15(10) . . ?
C54 P1 Pt1 113.79(10) . . ?
Ru5 C1 Ru4 89.84(11) . . ?
Ru5 C1 Ru1 168.02(15) . . ?
Ru4 C1 Ru1 86.54(10) . . ?
Ru5 C1 Ru2 91.01(11) . . ?
Ru4 C1 Ru2 158.10(14) . . ?
Ru1 C1 Ru2 88.14(10) . . ?
Ru5 C1 Pt1 105.19(12) . . ?
Ru4 C1 Pt1 118.34(12) . . ?
Ru1 C1 Pt1 86.55(9) . . ?
Ru2 C1 Pt1 82.47(10) . . ?
Ru5 C1 Ru3 85.17(10) . . ?
Ru4 C1 Ru3 78.90(9) . . ?
Ru1 C1 Ru3 82.93(9) . . ?
Ru2 C1 Ru3 79.38(9) . . ?
Pt1 C1 Ru3 159.26(14) . . ?
C7 C2 C3 120.2(5) . . ?
C7 C2 Ru5 72.3(3) . . ?
C3 C2 Ru5 70.3(2) . . ?
C2 C3 C4 119.8(4) . . ?
C2 C3 Ru5 73.5(3) . . ?
C4 C3 Ru5 71.9(2) . . ?
C5 C4 C3 118.3(4) . . ?
C5 C4 Ru5 70.5(2) . . ?
C3 C4 Ru5 71.4(2) . . ?
C4 C5 C6 120.6(5) . . ?
C4 C5 Ru5 73.1(2) . . ?
C6 C5 Ru5 71.8(3) . . ?
C7 C6 C5 120.8(5) . . ?
C7 C6 Ru5 75.0(3) . . ?
C5 C6 Ru5 71.4(2) . . ?
C6 C7 C2 120.2(5) . . ?
C6 C7 Ru5 69.9(3) . . ?
C2 C7 Ru5 72.3(3) . . ?
O11 C11 Ru1 174.3(3) . . ?
O12 C12 Ru1 174.5(3) . . ?
O13 C13 Ru1 174.1(3) . . ?
O21 C21 Ru2 175.9(3) . . ?
O22 C22 Ru2 176.6(3) . . ?
O23 C23 Ru2 138.5(2) . . ?
O23 C23 Pt1 133.0(2) . . ?
Ru2 C23 Pt1 88.45(12) . . ?
O31 C31 Ru3 176.3(3) . . ?
O32 C32 Ru3 164.6(3) . . ?
O33 C33 Ru3 173.7(4) . . ?
O41 C41 Ru4 178.0(3) . . ?
O42 C42 Ru4 177.8(4) . . ?
O43 C43 Ru4 172.9(3) . . ?
C51 C50 C52 105.4(3) . . ?
C51 C50 C53 107.4(3) . . ?
C52 C50 C53 109.9(3) . . ?
C51 C50 P1 109.7(2) . . ?
C52 C50 P1 109.0(2) . . ?
C53 C50 P1 115.0(2) . . ?
C55 C54 C57 105.5(3) . . ?
C55 C54 C56 107.7(3) . . ?
C57 C54 C56 107.9(3) . . ?
C55 C54 P1 111.5(2) . . ?
C57 C54 P1 108.3(2) . . ?
C56 C54 P1 115.4(2) . . ?
C59 C58 C61 107.1(3) . . ?
C59 C58 C60 108.8(3) . . ?
C61 C58 C60 105.7(3) . . ?
C59 C58 P1 116.8(2) . . ?
C61 C58 P1 109.8(2) . . ?
C60 C58 P1 108.1(2) . . ?
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 C23 2.016(3) . ?
Pt1 C1 2.139(3) . ?
Pt1 P1 2.3335(7) . ?
Pt1 Ru2 2.8062(3) . ?
Pt1 Ru1 2.9049(3) . ?
Pt1 Ru5 3.2307(3) . ?
Pt1 Ru4 3.6283(3) . ?
Ru1 C13 1.894(3) . ?
Ru1 C12 1.895(3) . ?
Ru1 C11 1.902(3) . ?
Ru1 C1 2.099(3) . ?
Ru1 Ru4 2.8687(3) . ?
Ru1 Ru3 2.8738(3) . ?
Ru1 Ru2 2.9331(3) . ?
Ru2 C22 1.871(3) . ?
Ru2 C21 1.890(3) . ?
Ru2 C23 2.007(3) . ?
Ru2 C1 2.118(3) . ?
Ru2 Ru3 2.7839(3) . ?
Ru2 Ru5 2.8872(3) . ?
Ru3 C33 1.873(4) . ?
Ru3 C32 1.903(4) . ?
Ru3 C31 1.903(4) . ?
Ru3 C1 2.239(3) . ?
Ru3 Ru4 2.7506(4) . ?
Ru3 Ru5 2.8269(4) . ?
Ru4 C42 1.887(4) . ?
Ru4 C41 1.896(4) . ?
Ru4 C43 1.908(4) . ?
Ru4 C1 2.087(3) . ?
Ru4 Ru5 2.8350(4) . ?
Ru5 C1 1.925(3) . ?
Ru5 C5 2.184(4) . ?
Ru5 C6 2.190(4) . ?
Ru5 C3 2.210(4) . ?
Ru5 C4 2.216(4) . ?
Ru5 C2 2.251(4) . ?
Ru5 C7 2.251(4) . ?
P1 C50 1.910(3) . ?
P1 C58 1.912(3) . ?
P1 C54 1.921(3) . ?
O11 C11 1.137(4) . ?
O12 C12 1.136(4) . ?
O13 C13 1.136(4) . ?
O21 C21 1.131(4) . ?
O22 C22 1.137(4) . ?
O23 C23 1.164(3) . ?
O31 C31 1.142(4) . ?
O32 C32 1.146(4) . ?
O33 C33 1.143(4) . ?
O41 C41 1.128(4) . ?
O42 C42 1.140(4) . ?
O43 C43 1.133(4) . ?
C2 C7 1.367(8) . ?
C2 C3 1.388(7) . ?
C3 C4 1.392(6) . ?
C4 C5 1.376(6) . ?
C5 C6 1.381(7) . ?
C6 C7 1.340(9) . ?
C50 C51 1.529(5) . ?
C50 C52 1.534(4) . ?
C50 C53 1.536(4) . ?
C54 C55 1.533(5) . ?
C54 C57 1.541(5) . ?
C54 C56 1.543(5) . ?
C58 C59 1.532(4) . ?
C58 C61 1.534(4) . ?
C58 C60 1.538(4) . ?
