#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:40:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179802 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/98/7009883.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_7009883
loop_
_publ_author_name
'Gao, Yuan'
'Kuncheria, Joshi K.'
'Jenkins, Hilary A.'
'Puddephatt, Richard J.'
'Yap, Glenn P. A.'
_publ_section_title
;
 The interconversion of formic acid and hydrogen/carbon dioxide using a
 binuclear ruthenium complex catalyst
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3212
_journal_paper_doi               10.1039/b004234j
_journal_year                    2000
_chemical_formula_sum            'C59 H59 O5 P4 Ru2'
_chemical_formula_weight         1174.08
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 97.817(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.583(1)
_cell_length_b                   28.557(3)
_cell_length_c                   16.783(2)
_cell_measurement_reflns_used    'reflections from 60 data frames'
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.47
_cell_volume                     5499.8(10)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SHELXTL XPREP'
_computing_molecular_graphics    'Siemens SHELXTL XP'
_computing_publication_material  'Siemens SHELXTL XCIF'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device       'Siemens SMART CCD'
_diffrn_measurement_method       'hemisphere 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  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20998
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        <1
_diffrn_standards_number         '50 standard frames at start and end'
_exptl_absorpt_coefficient_mu    0.713
_exptl_absorpt_correction_T_max  0.801474
_exptl_absorpt_correction_T_min  0.711622
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_description       block
_exptl_crystal_F_000             2404
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.110
_refine_diff_density_min         -0.400
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.114
_refine_ls_goodness_of_fit_obs   1.168
_refine_ls_hydrogen_treatment    idealized
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         7110
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_restrained_S_obs      1.168
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_obs          0.0414
_refine_ls_shift/esd_max         0.022
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0351P)²+8.4654P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0955
_refine_ls_wR_factor_obs         0.0890
_reflns_number_observed          5848
_reflns_number_total             7115
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b004234j.txt
_cod_data_source_block           rp025
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+8.4654P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+8.4654P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5499.7(9)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7009883
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru1 Ru 0.88085(3) 0.157469(13) 0.75451(2) 0.03317(12) Uani 1 d . .
Ru2 Ru 0.72978(3) 0.106572(14) 0.84623(2) 0.03513(13) Uani 1 d . .
P1 P 0.83963(11) 0.22781(4) 0.81512(8) 0.0376(3) Uani 1 d . .
P2 P 0.66120(11) 0.17621(5) 0.89884(7) 0.0379(3) Uani 1 d . .
P3 P 0.94706(10) 0.08842(4) 0.70302(7) 0.0324(3) Uani 1 d . .
P4 P 0.80603(11) 0.03367(4) 0.81114(7) 0.0352(3) Uani 1 d . .
C1 C 0.8894(5) 0.1880(2) 0.6577(4) 0.057(2) Uani 1 d . .
C2 C 0.6969(5) 0.1351(2) 0.7359(3) 0.0400(12) Uani 1 d . .
C3 C 0.5936(5) 0.0777(2) 0.8645(3) 0.0493(14) Uani 1 d . .
C4 C 0.9476(4) 0.0392(2) 0.7735(3) 0.0386(12) Uani 1 d . .
H4A H 1.0085(4) 0.0439(2) 0.8184(3) 0.046 Uiso 1 calc R .
H4B H 0.9645(4) 0.0104(2) 0.7466(3) 0.046 Uiso 1 calc R .
C5 C 0.6922(4) 0.2289(2) 0.8427(3) 0.0425(12) Uani 1 d . .
H5A H 0.6363(4) 0.2312(2) 0.7943(3) 0.051 Uiso 1 calc R .
H5B H 0.6834(4) 0.2563(2) 0.8753(3) 0.051 Uiso 1 calc R .
C11 C 0.7554(6) 0.3074(2) 0.7242(3) 0.060(2) Uani 1 d . .
H11A H 0.6821(6) 0.3007(2) 0.7380(3) 0.072 Uiso 1 calc R .
C12 C 0.7699(7) 0.3462(2) 0.6733(4) 0.077(2) Uani 1 d . .
H12A H 0.7069(7) 0.3650(2) 0.6535(4) 0.092 Uiso 1 calc R .
C13 C 0.8788(9) 0.3551(2) 0.6543(4) 0.088(2) Uani 1 d . .
H13A H 0.8888(9) 0.3803(2) 0.6208(4) 0.106 Uiso 1 calc R .
C14 C 0.9736(7) 0.3286(2) 0.6826(4) 0.085(2) Uani 1 d . .
H14A H 1.0468(7) 0.3358(2) 0.6691(4) 0.103 Uiso 1 calc R .
C15 C 0.9590(6) 0.2911(2) 0.7311(4) 0.070(2) Uani 1 d . .
H15A H 1.0229(6) 0.2726(2) 0.7500(4) 0.084 Uiso 1 calc R .
C16 C 0.8490(5) 0.2800(2) 0.7528(3) 0.0478(14) Uani 1 d . .
C21 C 0.9920(5) 0.2132(2) 0.9587(3) 0.058(2) Uani 1 d . .
H21A H 0.9905(5) 0.1819(2) 0.9433(3) 0.069 Uiso 1 calc R .
C22 C 1.0559(5) 0.2269(3) 1.0313(4) 0.075(2) Uani 1 d . .
H22A H 1.0955(5) 0.2045(3) 1.0648(4) 0.090 Uiso 1 calc R .
C23 C 1.0609(6) 0.2735(3) 1.0540(4) 0.083(2) Uani 1 d . .
H23A H 1.1057(6) 0.2826(3) 1.1017(4) 0.099 Uiso 1 calc R .
C24 C 0.9988(7) 0.3062(3) 1.0054(4) 0.087(2) Uani 1 d . .
H24A H 1.0011(7) 0.3376(3) 1.0206(4) 0.104 Uiso 1 calc R .
C25 C 0.9329(6) 0.2927(2) 0.9339(4) 0.072(2) Uani 1 d . .
H25A H 0.8899(6) 0.3150(2) 0.9022(4) 0.086 Uiso 1 calc R .
C26 C 0.9304(4) 0.2465(2) 0.9092(3) 0.0442(13) Uani 1 d . .
C31 C 0.4481(5) 0.1906(3) 0.9622(4) 0.077(2) Uani 1 d . .
H31A H 0.4926(5) 0.1939(3) 1.0123(4) 0.093 Uiso 1 calc R .
C32 C 0.3284(6) 0.1947(3) 0.9547(5) 0.100(3) Uani 1 d . .
H32A H 0.2926(6) 0.2010(3) 0.9998(5) 0.121 Uiso 1 calc R .
C33 C 0.2615(6) 0.1894(3) 0.8809(4) 0.079(2) Uani 1 d . .
H33A H 0.1809(6) 0.1924(3) 0.8765(4) 0.095 Uiso 1 calc R .
C34 C 0.3131(5) 0.1797(2) 0.8141(4) 0.063(2) Uani 1 d . .
H34A H 0.2677(5) 0.1757(2) 0.7645(4) 0.075 Uiso 1 calc R .
C35 C 0.4321(5) 0.1759(2) 0.8209(3) 0.061(2) Uani 1 d . .
H35A H 0.4667(5) 0.1694(2) 0.7752(3) 0.073 Uiso 1 calc R .
C36 C 0.5023(4) 0.1816(2) 0.8944(3) 0.0460(13) Uani 1 d . .
C41 C 0.7768(5) 0.1557(2) 1.0510(3) 0.062(2) Uani 1 d . .
H41A H 0.7847(5) 0.1260(2) 1.0299(3) 0.074 Uiso 1 calc R .
C42 C 0.8240(6) 0.1655(3) 1.1305(4) 0.088(2) Uani 1 d . .
H42A H 0.8627(6) 0.1423(3) 1.1626(4) 0.105 Uiso 1 calc R .
C43 C 0.8125(8) 0.2097(3) 1.1604(4) 0.109(3) Uani 1 d . .
H43A H 0.8449(8) 0.2164(3) 1.2129(4) 0.131 Uiso 1 calc R .
C44 C 0.7546(8) 0.2441(3) 1.1147(4) 0.105(3) Uani 1 d . .
H44A H 0.7468(8) 0.2738(3) 1.1362(4) 0.126 Uiso 1 calc R .
C45 C 0.7076(6) 0.2345(2) 1.0363(3) 0.073(2) Uani 1 d . .
H45A H 0.6685(6) 0.2579(2) 1.0050(3) 0.087 Uiso 1 calc R .
C46 C 0.7181(5) 0.1904(2) 1.0039(3) 0.0468(13) Uani 1 d . .
C51 C 0.6267(4) 0.0176(2) 0.6840(3) 0.0520(14) Uani 1 d . .
H51A H 0.6030(4) 0.0480(2) 0.6936(3) 0.062 Uiso 1 calc R .
C52 C 0.5673(5) -0.0083(2) 0.6210(4) 0.064(2) Uani 1 d . .
H52A H 0.5055(5) 0.0053(2) 0.5877(4) 0.077 Uiso 1 calc R .
C53 C 0.5991(6) -0.0533(3) 0.6075(4) 0.071(2) Uani 1 d . .
H53A H 0.5579(6) -0.0704(3) 0.5659(4) 0.086 Uiso 1 calc R .
C54 C 0.6915(6) -0.0733(2) 0.6552(4) 0.069(2) Uani 1 d . .
H54A H 0.7137(6) -0.1039(2) 0.6456(4) 0.083 Uiso 1 calc R .
C55 C 0.7518(5) -0.0476(2) 0.7180(3) 0.057(2) Uani 1 d . .
H55A H 0.8138(5) -0.0614(2) 0.7507(3) 0.069 Uiso 1 calc R .
C56 C 0.7209(4) -0.0018(2) 0.7326(3) 0.0373(12) Uani 1 d . .
C61 C 0.9416(5) -0.0331(2) 0.9109(3) 0.057(2) Uani 1 d . .
H61A H 1.0026(5) -0.0266(2) 0.8819(3) 0.069 Uiso 1 calc R .
C62 C 0.9570(6) -0.0663(2) 0.9725(4) 0.073(2) Uani 1 d . .
H62A H 1.0285(6) -0.0814(2) 0.9843(4) 0.087 Uiso 1 calc R .
C63 C 0.8683(6) -0.0770(2) 1.0157(4) 0.069(2) Uani 1 d . .
H63A H 0.8794(6) -0.0990(2) 1.0569(4) 0.083 Uiso 1 calc R .
C64 C 0.7641(6) -0.0552(2) 0.9977(4) 0.070(2) Uani 1 d . .
H64A H 0.7029(6) -0.0626(2) 1.0260(4) 0.084 Uiso 1 calc R .
C65 C 0.7483(5) -0.0215(2) 0.9370(3) 0.060(2) Uani 1 d . .
H65A H 0.6767(5) -0.0065(2) 0.9260(3) 0.072 Uiso 1 calc R .
C66 C 0.8371(4) -0.0100(2) 0.8927(3) 0.0412(12) Uani 1 d . .
C71 C 0.7819(4) 0.0898(2) 0.5631(3) 0.0489(14) Uani 1 d . .
H71A H 0.7608(4) 0.1190(2) 0.5809(3) 0.059 Uiso 1 calc R .
C72 C 0.7244(5) 0.0717(2) 0.4915(3) 0.063(2) Uani 1 d . .
H72A H 0.6660(5) 0.0891(2) 0.4615(3) 0.075 Uiso 1 calc R .
C73 C 0.7534(6) 0.0283(2) 0.4647(4) 0.069(2) Uani 1 d . .
H73A H 0.7141(6) 0.0161(2) 0.4172(4) 0.082 Uiso 1 calc R .
C74 C 0.8406(6) 0.0031(2) 0.5085(4) 0.066(2) Uani 1 d . .
H74A H 0.8606(6) -0.0262(2) 0.4906(4) 0.079 Uiso 1 calc R .
C75 C 0.8992(5) 0.0212(2) 0.5794(3) 0.0522(14) Uani 1 d . .
H75A H 0.9590(5) 0.0040(2) 0.6083(3) 0.063 Uiso 1 calc R .
C76 C 0.8698(4) 0.0648(2) 0.6079(3) 0.0366(12) Uani 1 d . .
C81 C 1.1180(5) 0.1155(2) 0.6109(3) 0.0530(14) Uani 1 d . .
H81A H 1.0563(5) 0.1304(2) 0.5798(3) 0.064 Uiso 1 calc R .
C82 C 1.2287(5) 0.1196(2) 0.5903(4) 0.064(2) Uani 1 d . .
H82A H 1.2409(5) 0.1370(2) 0.5454(4) 0.077 Uiso 1 calc R .
C83 C 1.3204(5) 0.0981(2) 0.6355(4) 0.068(2) Uani 1 d . .
H83A H 1.3952(5) 0.1012(2) 0.6219(4) 0.082 Uiso 1 calc R .
C84 C 1.3020(5) 0.0719(2) 0.7008(4) 0.071(2) Uani 1 d . .
H84A H 1.3646(5) 0.0569(2) 0.7309(4) 0.085 Uiso 1 calc R .
C85 C 1.1909(5) 0.0674(2) 0.7227(3) 0.0562(15) Uani 1 d . .
H85A H 1.1794(5) 0.0497(2) 0.7674(3) 0.067 Uiso 1 calc R .
C86 C 1.0970(4) 0.0895(2) 0.6775(3) 0.0389(12) Uani 1 d . .
C91 C 0.9764(8) 0.1018(3) 0.3727(7) 0.145(4) Uani 1 d . .
H91A H 1.0518(8) 0.0889(3) 0.3687(7) 0.217 Uiso 1 calc R .
H91B H 0.9252(8) 0.0958(3) 0.3238(7) 0.217 Uiso 1 calc R .
H91C H 0.9452(8) 0.0877(3) 0.4171(7) 0.217 Uiso 1 calc R .
C92 C 0.9867(11) 0.1517(3) 0.3854(6) 0.115(3) Uani 1 d . .
C93 C 0.8819(11) 0.1783(3) 0.3930(6) 0.158(5) Uani 1 d . .
H93A H 0.9016(11) 0.2108(3) 0.4011(6) 0.238 Uiso 1 calc R .
H93B H 0.8475(11) 0.1669(3) 0.4382(6) 0.238 Uiso 1 calc R .
H93C H 0.8275(11) 0.1749(3) 0.3449(6) 0.238 Uiso 1 calc R .
C94 C 1.3803(10) -0.0498(3) 0.9076(7) 0.151(4) Uani 1 d . .
H94A H 1.3329(10) -0.0434(3) 0.9490(7) 0.226 Uiso 1 calc R .
H94B H 1.4387(10) -0.0259(3) 0.9077(7) 0.226 Uiso 1 calc R .
H94C H 1.4175(10) -0.0797(3) 0.9174(7) 0.226 Uiso 1 calc R .
C95 C 1.3047(10) -0.0505(3) 0.8267(7) 0.109(3) Uani 1 d . .
C96 C 1.3639(10) -0.0600(4) 0.7582(6) 0.165(5) Uani 1 d . .
H96A H 1.3085(10) -0.0598(4) 0.7102(6) 0.247 Uiso 1 calc R .
H96B H 1.4006(10) -0.0902(4) 0.7645(6) 0.247 Uiso 1 calc R .
H96C H 1.4219(10) -0.0364(4) 0.7545(6) 0.247 Uiso 1 calc R .
O1 O 0.8948(5) 0.2072(2) 0.5973(3) 0.099(2) Uani 1 d . .
O2 O 0.6171(3) 0.13858(13) 0.6864(2) 0.0524(9) Uani 1 d . .
O3 O 0.5072(4) 0.05941(15) 0.8750(3) 0.0778(13) Uani 1 d . .
O91 O 1.0840(9) 0.1687(3) 0.3946(7) 0.219(5) Uani 1 d . .
O92 O 1.2021(7) -0.0451(3) 0.8201(6) 0.196(4) Uani 1 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'
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 Ru1 C2 100.2(2) . . ?
C1 Ru1 P3 90.8(2) . . ?
C2 Ru1 P3 93.63(12) . . ?
C1 Ru1 P1 90.9(2) . . ?
C2 Ru1 P1 93.42(12) . . ?
P3 Ru1 P1 172.35(5) . . ?
C1 Ru1 Ru2 144.4(2) . . ?
C2 Ru1 Ru2 44.22(13) . . ?
P3 Ru1 Ru2 91.48(3) . . ?
P1 Ru1 Ru2 91.51(3) . . ?
C3 Ru2 C2 106.0(2) . . ?
C3 Ru2 P2 88.6(2) . . ?
C2 Ru2 P2 88.36(13) . . ?
C3 Ru2 P4 90.2(2) . . ?
C2 Ru2 P4 99.10(13) . . ?
P2 Ru2 P4 172.48(5) . . ?
C3 Ru2 Ru1 155.8(2) . . ?
C2 Ru2 Ru1 49.9(2) . . ?
P2 Ru2 Ru1 91.99(3) . . ?
P4 Ru2 Ru1 92.10(3) . . ?
C16 P1 C5 105.1(2) . . ?
C16 P1 C26 100.5(2) . . ?
C5 P1 C26 102.8(2) . . ?
C16 P1 Ru1 114.9(2) . . ?
C5 P1 Ru1 112.2(2) . . ?
C26 P1 Ru1 119.6(2) . . ?
C5 P2 C46 104.0(2) . . ?
C5 P2 C36 100.1(2) . . ?
C46 P2 C36 104.2(2) . . ?
C5 P2 Ru2 113.5(2) . . ?
C46 P2 Ru2 116.7(2) . . ?
C36 P2 Ru2 116.2(2) . . ?
C4 P3 C86 104.0(2) . . ?
C4 P3 C76 103.6(2) . . ?
C86 P3 C76 99.6(2) . . ?
C4 P3 Ru1 112.5(2) . . ?
C86 P3 Ru1 116.12(15) . . ?
C76 P3 Ru1 119.0(2) . . ?
C4 P4 C56 102.5(2) . . ?
C4 P4 C66 102.7(2) . . ?
C56 P4 C66 101.0(2) . . ?
C4 P4 Ru2 112.9(2) . . ?
C56 P4 Ru2 118.8(2) . . ?
C66 P4 Ru2 116.8(2) . . ?
O1 C1 Ru1 179.8(4) . . ?
O2 C2 Ru2 136.6(4) . . ?
O2 C2 Ru1 137.5(4) . . ?
Ru2 C2 Ru1 85.9(2) . . ?
O3 C3 Ru2 179.2(5) . . ?
P3 C4 P4 111.2(2) . . ?
P1 C5 P2 111.8(3) . . ?
C16 C11 C12 120.2(6) . . ?
C13 C12 C11 118.3(7) . . ?
C12 C13 C14 122.7(7) . . ?
C13 C14 C15 118.8(7) . . ?
C14 C15 C16 121.3(7) . . ?
C11 C16 C15 118.7(5) . . ?
C11 C16 P1 124.1(5) . . ?
C15 C16 P1 117.2(4) . . ?
C26 C21 C22 119.8(6) . . ?
C23 C22 C21 120.6(6) . . ?
C24 C23 C22 119.4(6) . . ?
C23 C24 C25 120.4(6) . . ?
C26 C25 C24 120.8(6) . . ?
C25 C26 C21 119.0(5) . . ?
C25 C26 P1 121.1(4) . . ?
C21 C26 P1 119.8(4) . . ?
C32 C31 C36 119.9(6) . . ?
C33 C32 C31 120.6(6) . . ?
C34 C33 C32 120.3(6) . . ?
C33 C34 C35 119.6(6) . . ?
C34 C35 C36 121.5(5) . . ?
C31 C36 C35 118.1(5) . . ?
C31 C36 P2 122.8(4) . . ?
C35 C36 P2 119.1(4) . . ?
C46 C41 C42 119.9(6) . . ?
C43 C42 C41 119.2(7) . . ?
C44 C43 C42 121.4(7) . . ?
C43 C44 C45 119.4(7) . . ?
C44 C45 C46 120.8(6) . . ?
C45 C46 C41 119.3(5) . . ?
C45 C46 P2 122.6(4) . . ?
C41 C46 P2 118.1(4) . . ?
C56 C51 C52 120.2(5) . . ?
C53 C52 C51 120.6(6) . . ?
C52 C53 C54 120.2(6) . . ?
C53 C54 C55 119.5(6) . . ?
C56 C55 C54 121.1(6) . . ?
C55 C56 C51 118.3(5) . . ?
C55 C56 P4 121.4(4) . . ?
C51 C56 P4 120.2(4) . . ?
C66 C61 C62 120.7(6) . . ?
C63 C62 C61 120.9(6) . . ?
C64 C63 C62 119.2(6) . . ?
C63 C64 C65 120.3(6) . . ?
C66 C65 C64 121.5(5) . . ?
C61 C66 C65 117.4(5) . . ?
C61 C66 P4 124.3(4) . . ?
C65 C66 P4 118.2(4) . . ?
C76 C71 C72 120.7(5) . . ?
C73 C72 C71 120.4(6) . . ?
C74 C73 C72 119.5(5) . . ?
C73 C74 C75 120.3(6) . . ?
C74 C75 C76 120.9(5) . . ?
C71 C76 C75 118.1(5) . . ?
C71 C76 P3 121.2(4) . . ?
C75 C76 P3 120.7(4) . . ?
C82 C81 C86 121.2(5) . . ?
C83 C82 C81 120.2(6) . . ?
C82 C83 C84 119.8(5) . . ?
C83 C84 C85 120.9(6) . . ?
C86 C85 C84 119.8(6) . . ?
C85 C86 C81 118.1(5) . . ?
C85 C86 P3 123.8(4) . . ?
C81 C86 P3 118.0(4) . . ?
O91 C92 C91 118.0(11) . . ?
O91 C92 C93 123.4(10) . . ?
C91 C92 C93 118.5(10) . . ?
O92 C95 C96 121.9(12) . . ?
O92 C95 C94 122.1(11) . . ?
C96 C95 C94 116.0(10) . . ?
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
Ru1 C1 1.858(6) . ?
Ru1 C2 2.205(5) . ?
Ru1 P3 2.3244(13) . ?
Ru1 P1 2.3302(13) . ?
Ru1 Ru2 2.8768(6) . ?
Ru2 C3 1.842(6) . ?
Ru2 C2 2.011(5) . ?
Ru2 P2 2.3572(13) . ?
Ru2 P4 2.3670(13) . ?
P1 C16 1.831(5) . ?
P1 C5 1.829(5) . ?
P1 C26 1.852(5) . ?
P2 C5 1.836(5) . ?
P2 C46 1.842(5) . ?
P2 C36 1.838(5) . ?
P3 C4 1.836(5) . ?
P3 C86 1.844(5) . ?
P3 C76 1.847(5) . ?
P4 C4 1.843(5) . ?
P4 C56 1.840(5) . ?
P4 C66 1.851(5) . ?
C1 O1 1.162(6) . ?
C2 O2 1.161(5) . ?
C3 O3 1.163(6) . ?
C11 C16 1.371(7) . ?
C11 C12 1.421(8) . ?
C12 C13 1.367(10) . ?
C13 C14 1.365(10) . ?
C14 C15 1.369(8) . ?
C15 C16 1.409(8) . ?
C21 C26 1.394(7) . ?
C21 C22 1.393(8) . ?
C22 C23 1.383(9) . ?
C23 C24 1.378(9) . ?
C24 C25 1.386(8) . ?
C25 C26 1.383(7) . ?
C31 C32 1.379(8) . ?
C31 C36 1.396(7) . ?
C32 C33 1.376(9) . ?
C33 C34 1.368(8) . ?
C34 C35 1.372(7) . ?
C35 C36 1.392(7) . ?
C41 C46 1.388(7) . ?
C41 C42 1.398(8) . ?
C42 C43 1.372(10) . ?
C43 C44 1.366(11) . ?
C44 C45 1.381(9) . ?
C45 C46 1.383(7) . ?
C51 C56 1.386(7) . ?
C51 C52 1.393(7) . ?
C52 C53 1.364(9) . ?
C53 C54 1.371(8) . ?
C54 C55 1.392(8) . ?
C55 C56 1.385(7) . ?
C61 C66 1.376(7) . ?
C61 C62 1.395(8) . ?
C62 C63 1.371(9) . ?
C63 C64 1.356(8) . ?
C64 C65 1.393(8) . ?
C65 C66 1.388(7) . ?
C71 C76 1.379(7) . ?
C71 C72 1.392(7) . ?
C72 C73 1.376(8) . ?
C73 C74 1.369(9) . ?
C74 C75 1.388(7) . ?
C75 C76 1.393(7) . ?
C81 C82 1.377(7) . ?
C81 C86 1.390(7) . ?
C82 C83 1.365(8) . ?
C83 C84 1.367(8) . ?
C84 C85 1.392(8) . ?
C85 C86 1.391(7) . ?
C91 C92 1.442(11) . ?
C92 O91 1.218(11) . ?
C92 C93 1.453(13) . ?
C94 C95 1.512(13) . ?
C95 O92 1.189(10) . ?
C95 C96 1.441(12) . ?
