#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:31:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179144 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/05/4310592.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_4310592
loop_
_publ_author_name
'Jing-Lin Chen'
'Li-Yi Zhang'
'Zhong-Ning Chen'
'Li-Bin Gao'
'Masaaki Abe'
'Yoichi Sasaki'
_publ_contact_author
;
Zhong-Ning Chen
Fujian Institute of Research on the Structure of Matter, 
Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
;
_publ_contact_author_email       '  czn@ms.fjirsm.ac.cn '
_publ_section_title
;
 Syntheses, Structures, and Redox Properties of Dimeric Triruthenium
 Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1481
_journal_page_last               1490
_journal_paper_doi               10.1021/ic0344968
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C48 H48 F6 N2 O13 P3 Ru3'
_chemical_formula_weight         1371.00
_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                104.7210(10)
_cell_angle_beta                 92.13
_cell_angle_gamma                99.8300(10)
_cell_formula_units_Z            2
_cell_length_a                   13.1584(4)
_cell_length_b                   14.4013(3)
_cell_length_c                   15.1836(5)
_cell_measurement_reflns_used    4057
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      1.39
_cell_volume                     2732.15(14)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Siemens SMART 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  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0773
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11268
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .7944
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'deep blue'
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .12
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         7062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0308P)²+17.0625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                4887
_reflns_number_total             7062
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0344968si20031017_122604_1.cif
_cod_data_source_block           1_Compound2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_original_cell_volume        2732.16(14)
_cod_database_code               4310592
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
Ru1 Ru -0.54005(6) 0.37792(6) 0.21292(5) 0.0351(2) Uani 1 1 d . . .
Ru2 Ru -0.70030(7) 0.53488(6) 0.29500(6) 0.0419(3) Uani 1 1 d . . .
Ru3 Ru -0.79408(6) 0.29636(6) 0.22743(6) 0.0409(3) Uani 1 1 d . . .
P1 P -0.3717(2) 0.3545(2) 0.17542(18) 0.0391(7) Uani 1 1 d . . .
P2 P -0.3343(3) 0.0747(2) -0.0541(2) 0.0576(9) Uani 1 1 d . . .
P3 P -0.8106(5) 1.1503(4) 0.5838(4) 0.1197(19) Uani 1 1 d . . .
O1 O -0.6813(5) 0.4046(4) 0.2457(4) 0.0346(16) Uani 1 1 d . . .
O2 O -0.4650(5) 0.4789(5) 0.3249(5) 0.0516(19) Uani 1 1 d . . .
O3 O -0.5770(6) 0.5704(5) 0.3895(5) 0.055(2) Uani 1 1 d . . .
O4 O -0.5212(6) 0.4786(5) 0.1406(5) 0.052(2) Uani 1 1 d . . .
O5 O -0.6095(6) 0.5924(5) 0.2083(5) 0.057(2) Uani 1 1 d . . .
O6 O -0.8280(7) 0.5206(6) 0.2099(6) 0.066(2) Uani 1 1 d . . .
O7 O -0.8992(6) 0.3637(7) 0.1771(6) 0.066(2) Uani 1 1 d . . .
O8 O -0.7916(6) 0.5031(6) 0.3936(5) 0.063(2) Uani 1 1 d . . .
O9 O -0.8359(6) 0.3421(6) 0.3564(5) 0.059(2) Uani 1 1 d . . .
O10 O -0.5941(5) 0.2750(5) 0.0955(4) 0.0489(19) Uani 1 1 d . . .
O11 O -0.7660(6) 0.2368(6) 0.0974(5) 0.061(2) Uani 1 1 d . . .
O12 O -0.5477(6) 0.2768(5) 0.2845(5) 0.053(2) Uani 1 1 d . . .
O13 O -0.7140(6) 0.2101(5) 0.2767(5) 0.059(2) Uani 1 1 d . . .
N1 N -0.9198(7) 0.1772(6) 0.2120(7) 0.051(2) Uani 1 1 d . . .
N2 N -0.7206(9) 0.6811(7) 0.3498(6) 0.060(3) Uani 1 1 d . . .
C1 C -0.4936(9) 0.5438(8) 0.3876(7) 0.047(3) Uani 1 1 d . . .
C2 C -0.4126(9) 0.5927(8) 0.4655(7) 0.063(3) Uani 1 1 d . . .
H2A H -0.4396 0.6409 0.5097 0.094 Uiso 1 1 calc R . .
H2B H -0.3525 0.6238 0.4428 0.094 Uiso 1 1 calc R . .
H2C H -0.3940 0.5447 0.4937 0.094 Uiso 1 1 calc R . .
C3 C -0.6201(9) 0.2185(7) 0.3026(6) 0.039(3) Uani 1 1 d . . .
C4 C -0.5929(9) 0.1528(8) 0.3589(8) 0.058(3) Uani 1 1 d . . .
H4A H -0.5194 0.1663 0.3740 0.087 Uiso 1 1 calc R . .
H4B H -0.6142 0.0858 0.3247 0.087 Uiso 1 1 calc R . .
H4C H -0.6276 0.1642 0.4141 0.087 Uiso 1 1 calc R . .
C5 C -0.6833(9) 0.2322(7) 0.0602(7) 0.045(3) Uani 1 1 d . . .
C6 C -0.6897(9) 0.1692(8) -0.0358(7) 0.058(3) Uani 1 1 d . . .
H6A H -0.6215 0.1715 -0.0565 0.087 Uiso 1 1 calc R . .
H6B H -0.7323 0.1926 -0.0748 0.087 Uiso 1 1 calc R . .
H6C H -0.7194 0.1030 -0.0374 0.087 Uiso 1 1 calc R . .
C7 C -0.5462(8) 0.5620(8) 0.1542(7) 0.045(3) Uani 1 1 d . . .
C8 C -0.4915(9) 0.6280(8) 0.1030(8) 0.062(3) Uani 1 1 d . . .
H8A H -0.5151 0.6892 0.1185 0.094 Uiso 1 1 calc R . .
H8B H -0.5057 0.5984 0.0386 0.094 Uiso 1 1 calc R . .
H8C H -0.4183 0.6391 0.1190 0.094 Uiso 1 1 calc R . .
C9 C -0.8304(8) 0.4253(9) 0.4081(7) 0.042(3) Uani 1 1 d . . .
C10 C -0.8746(9) 0.4292(9) 0.5001(8) 0.066(4) Uani 1 1 d . . .
H10A H -0.8667 0.4960 0.5351 0.099 Uiso 1 1 calc R . .
H10B H -0.8382 0.3941 0.5327 0.099 Uiso 1 1 calc R . .
H10C H -0.9467 0.3999 0.4904 0.099 Uiso 1 1 calc R . .
C11 C -0.8966(10) 0.4490(11) 0.1743(8) 0.057(3) Uani 1 1 d . . .
C12 C -0.9900(9) 0.4671(11) 0.1211(9) 0.084(4) Uani 1 1 d . . .
H12A H -1.0374 0.4064 0.0966 0.126 Uiso 1 1 calc R . .
H12B H -0.9664 0.4938 0.0720 0.126 Uiso 1 1 calc R . .
H12C H -1.0243 0.5123 0.1614 0.126 Uiso 1 1 calc R . .
C13 C -0.3667(8) 0.2536(8) 0.0829(7) 0.048(3) Uani 1 1 d . . .
C14 C -0.3564(8) 0.1832(8) 0.0239(7) 0.050(3) Uani 1 1 d . . .
C21 C -0.2246(9) 0.1266(8) -0.1073(8) 0.057(3) Uani 1 1 d . . .
C22 C -0.1633(14) 0.2118(12) -0.0717(13) 0.146(9) Uani 1 1 d . . .
H22A H -0.1783 0.2512 -0.0168 0.175 Uiso 1 1 calc R . .
C23 C -0.0777(15) 0.2446(14) -0.1133(16) 0.186(13) Uani 1 1 d . . .
H23A H -0.0380 0.3062 -0.0872 0.223 Uiso 1 1 calc R . .
C24 C -0.0516(13) 0.1895(15) -0.1895(14) 0.113(6) Uani 1 1 d . . .
H24A H 0.0074 0.2110 -0.2161 0.135 Uiso 1 1 calc R . .
C25 C -0.1119(13) 0.1015(15) -0.2282(12) 0.107(6) Uani 1 1 d . . .
H25A H -0.0953 0.0626 -0.2827 0.129 Uiso 1 1 calc R . .
C26 C -0.1984(12) 0.0688(11) -0.1870(10) 0.089(5) Uani 1 1 d . . .
H26A H -0.2387 0.0075 -0.2134 0.107 Uiso 1 1 calc R . .
C31 C -0.4434(9) 0.0519(8) -0.1399(7) 0.054(3) Uani 1 1 d . . .
C32 C -0.4586(10) 0.1124(8) -0.1950(8) 0.061(3) Uani 1 1 d . . .
H32A H -0.4086 0.1677 -0.1911 0.073 Uiso 1 1 calc R . .
C33 C -0.5453(12) 0.0938(11) -0.2556(9) 0.075(4) Uani 1 1 d . . .
H33A H -0.5556 0.1370 -0.2899 0.090 Uiso 1 1 calc R . .
C34 C -0.6157(11) 0.0090(12) -0.2636(9) 0.078(4) Uani 1 1 d . . .
H34A H -0.6731 -0.0065 -0.3058 0.094 Uiso 1 1 calc R . .
C35 C -0.6031(11) -0.0535(11) -0.2105(11) 0.085(4) Uani 1 1 d . . .
H35A H -0.6527 -0.1092 -0.2150 0.102 Uiso 1 1 calc R . .
C36 C -0.5155(11) -0.0322(9) -0.1503(9) 0.068(4) Uani 1 1 d . . .
H36A H -0.5051 -0.0756 -0.1163 0.082 Uiso 1 1 calc R . .
C41 C -0.2842(8) 0.3355(7) 0.2612(7) 0.040(3) Uani 1 1 d . . .
C42 C -0.3144(8) 0.3272(8) 0.3453(7) 0.051(3) Uani 1 1 d . . .
H42A H -0.3807 0.3358 0.3604 0.061 Uiso 1 1 calc R . .
C43 C -0.2485(10) 0.3065(10) 0.4075(8) 0.072(4) Uani 1 1 d . . .
H43A H -0.2707 0.3011 0.4637 0.086 Uiso 1 1 calc R . .
C44 C -0.1504(11) 0.2940(10) 0.3866(9) 0.074(4) Uani 1 1 d . . .
H44A H -0.1068 0.2773 0.4272 0.089 Uiso 1 1 calc R . .
C45 C -0.1178(9) 0.3063(10) 0.3062(10) 0.076(4) Uani 1 1 d . . .
H45A H -0.0501 0.3015 0.2931 0.091 Uiso 1 1 calc R . .
C46 C -0.1836(9) 0.3257(9) 0.2436(8) 0.065(4) Uani 1 1 d . . .
H46A H -0.1600 0.3325 0.1881 0.078 Uiso 1 1 calc R . .
C51 C -0.2997(7) 0.4543(8) 0.1392(8) 0.045(3) Uani 1 1 d . . .
C52 C -0.2856(8) 0.4488(9) 0.0476(8) 0.057(3) Uani 1 1 d . . .
H52A H -0.3088 0.3903 0.0032 0.068 Uiso 1 1 calc R . .
C53 C -0.2362(10) 0.5319(12) 0.0219(10) 0.075(4) Uani 1 1 d . . .
H53A H -0.2289 0.5281 -0.0395 0.090 Uiso 1 1 calc R . .
C54 C -0.2000(10) 0.6153(11) 0.0848(12) 0.079(4) Uani 1 1 d . . .
H54A H -0.1673 0.6697 0.0675 0.095 Uiso 1 1 calc R . .
C55 C -0.2115(10) 0.6204(10) 0.1748(11) 0.078(4) Uani 1 1 d . . .
H55A H -0.1851 0.6784 0.2188 0.094 Uiso 1 1 calc R . .
C56 C -0.2614(9) 0.5414(8) 0.2019(8) 0.058(3) Uani 1 1 d . . .
H56A H -0.2692 0.5472 0.2636 0.070 Uiso 1 1 calc R . .
C62 C -0.9447(9) 0.1403(8) 0.2834(9) 0.062(3) Uani 1 1 d . . .
H62A H -0.9015 0.1621 0.3373 0.074 Uiso 1 1 calc R . .
C63 C -1.0322(11) 0.0717(9) 0.2784(12) 0.084(4) Uani 1 1 d . . .
H63A H -1.0488 0.0490 0.3292 0.100 Uiso 1 1 calc R . .
C64 C -1.0953(12) 0.0363(12) 0.1988(13) 0.101(5) Uani 1 1 d . . .
H64A H -1.1543 -0.0111 0.1943 0.121 Uiso 1 1 calc R . .
C65 C -1.0688(12) 0.0731(11) 0.1256(11) 0.098(5) Uani 1 1 d . . .
H65A H -1.1106 0.0500 0.0710 0.118 Uiso 1 1 calc R . .
C66 C -0.9814(10) 0.1434(10) 0.1321(9) 0.078(4) Uani 1 1 d . . .
H66A H -0.9645 0.1676 0.0822 0.094 Uiso 1 1 calc R . .
C72 C -0.8161(13) 0.7009(10) 0.3656(8) 0.081(4) Uani 1 1 d . . .
H72A H -0.8728 0.6500 0.3483 0.097 Uiso 1 1 calc R . .
C73 C -0.8328(17) 0.7935(15) 0.4064(11) 0.110(7) Uani 1 1 d . . .
H73A H -0.8989 0.8058 0.4173 0.131 Uiso 1 1 calc R . .
C74 C -0.746(2) 0.8679(12) 0.4304(12) 0.131(9) Uani 1 1 d . . .
H74A H -0.7527 0.9313 0.4594 0.158 Uiso 1 1 calc R . .
C75 C -0.6516(19) 0.8481(11) 0.4118(12) 0.135(8) Uani 1 1 d . . .
H75A H -0.5940 0.8982 0.4253 0.162 Uiso 1 1 calc R . .
C76 C -0.6407(14) 0.7548(9) 0.3733(9) 0.088(5) Uani 1 1 d . . .
H76A H -0.5745 0.7420 0.3631 0.106 Uiso 1 1 calc R . .
F1 F -0.9104(16) 1.175(2) 0.6005(17) 0.369(16) Uani 1 1 d . . .
F2 F -0.762(2) 1.2499(11) 0.6162(12) 0.364(17) Uani 1 1 d . . .
F3 F -0.8108(14) 1.1546(18) 0.4892(9) 0.299(12) Uani 1 1 d . . .
F4 F -0.849(2) 1.0487(14) 0.5631(16) 0.368(17) Uani 1 1 d . . .
F5 F -0.7058(14) 1.1179(16) 0.5672(12) 0.253(8) Uani 1 1 d . . .
F6 F -0.8056(17) 1.1451(10) 0.6824(10) 0.243(9) Uani 1 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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
O1 Ru1 O12 91.8(3) . . ?
O1 Ru1 O4 92.3(3) . . ?
O12 Ru1 O4 175.8(3) . . ?
O1 Ru1 O10 94.3(3) . . ?
O12 Ru1 O10 91.9(3) . . ?
O4 Ru1 O10 88.6(3) . . ?
O1 Ru1 O2 94.0(3) . . ?
O12 Ru1 O2 88.7(3) . . ?
O4 Ru1 O2 90.2(3) . . ?
O10 Ru1 O2 171.6(3) . . ?
O1 Ru1 P1 177.36(18) . . ?
O12 Ru1 P1 90.2(2) . . ?
O4 Ru1 P1 85.7(2) . . ?
O10 Ru1 P1 87.3(2) . . ?
O2 Ru1 P1 84.3(2) . . ?
O1 Ru2 O6 94.3(3) . . ?
O1 Ru2 O3 94.7(3) . . ?
O6 Ru2 O3 171.0(3) . . ?
O1 Ru2 O5 95.1(3) . . ?
O6 Ru2 O5 90.3(3) . . ?
O3 Ru2 O5 89.7(3) . . ?
O1 Ru2 O8 95.2(3) . . ?
O6 Ru2 O8 90.4(3) . . ?
O3 Ru2 O8 88.0(3) . . ?
O5 Ru2 O8 169.6(3) . . ?
O1 Ru2 N2 179.6(4) . . ?
O6 Ru2 N2 85.9(4) . . ?
O3 Ru2 N2 85.1(4) . . ?
O5 Ru2 N2 84.5(3) . . ?
O8 Ru2 N2 85.2(3) . . ?
O1 Ru3 O11 94.0(3) . . ?
O1 Ru3 O13 95.8(3) . . ?
O11 Ru3 O13 92.6(3) . . ?
O1 Ru3 O9 92.8(3) . . ?
O11 Ru3 O9 173.2(3) . . ?
O13 Ru3 O9 86.3(3) . . ?
O1 Ru3 O7 95.0(3) . . ?
O11 Ru3 O7 88.2(3) . . ?
O13 Ru3 O7 169.1(3) . . ?
O9 Ru3 O7 91.6(3) . . ?
O1 Ru3 N1 178.1(3) . . ?
O11 Ru3 N1 87.9(3) . . ?
O13 Ru3 N1 83.6(3) . . ?
O9 Ru3 N1 85.3(3) . . ?
O7 Ru3 N1 85.6(3) . . ?
C13 P1 C51 102.3(5) . . ?
C13 P1 C41 101.4(5) . . ?
C51 P1 C41 104.1(5) . . ?
C13 P1 Ru1 115.3(4) . . ?
C51 P1 Ru1 113.0(3) . . ?
C41 P1 Ru1 118.8(3) . . ?
C14 P2 C21 99.5(5) . . ?
C14 P2 C31 100.8(5) . . ?
C21 P2 C31 103.8(5) . . ?
F4 P3 F2 170.8(18) . . ?
F4 P3 F1 93.5(17) . . ?
F2 P3 F1 90.9(15) . . ?
F4 P3 F3 95.3(14) . . ?
F2 P3 F3 92.1(12) . . ?
F1 P3 F3 97.4(12) . . ?
F4 P3 F6 84.8(12) . . ?
F2 P3 F6 87.7(10) . . ?
F1 P3 F6 85.1(11) . . ?
F3 P3 F6 177.5(11) . . ?
F4 P3 F5 83.4(12) . . ?
F2 P3 F5 91.9(15) . . ?
F1 P3 F5 176.6(16) . . ?
F3 P3 F5 84.3(9) . . ?
F6 P3 F5 93.3(11) . . ?
Ru2 O1 Ru3 121.2(3) . . ?
Ru2 O1 Ru1 120.0(3) . . ?
Ru3 O1 Ru1 118.7(3) . . ?
C1 O2 Ru1 133.5(7) . . ?
C1 O3 Ru2 131.4(7) . . ?
C7 O4 Ru1 131.8(6) . . ?
C7 O5 Ru2 134.6(7) . . ?
C11 O6 Ru2 131.3(8) . . ?
C11 O7 Ru3 132.6(8) . . ?
C9 O8 Ru2 131.8(7) . . ?
C9 O9 Ru3 131.6(7) . . ?
C5 O10 Ru1 133.8(7) . . ?
C5 O11 Ru3 131.5(7) . . ?
C3 O12 Ru1 133.8(7) . . ?
C3 O13 Ru3 133.1(7) . . ?
C62 N1 C66 119.4(10) . . ?
C62 N1 Ru3 120.4(8) . . ?
C66 N1 Ru3 119.9(8) . . ?
C76 N2 C72 117.9(11) . . ?
C76 N2 Ru2 121.7(9) . . ?
C72 N2 Ru2 120.4(10) . . ?
O3 C1 O2 127.2(10) . . ?
O3 C1 C2 118.6(10) . . ?
O2 C1 C2 114.3(11) . . ?
O12 C3 O13 124.9(10) . . ?
O12 C3 C4 117.4(10) . . ?
O13 C3 C4 117.7(10) . . ?
O11 C5 O10 126.4(9) . . ?
O11 C5 C6 117.4(10) . . ?
O10 C5 C6 116.2(10) . . ?
O5 C7 O4 125.1(9) . . ?
O5 C7 C8 119.0(10) . . ?
O4 C7 C8 115.9(9) . . ?
O8 C9 O9 127.1(10) . . ?
O8 C9 C10 117.3(10) . . ?
O9 C9 C10 115.6(10) . . ?
O7 C11 O6 127.0(12) . . ?
O7 C11 C12 115.7(13) . . ?
O6 C11 C12 117.3(12) . . ?
C14 C13 P1 174.4(11) . . ?
C13 C14 P2 173.8(11) . . ?
C22 C21 C26 117.4(12) . . ?
C22 C21 P2 125.1(10) . . ?
C26 C21 P2 117.3(10) . . ?
C21 C22 C23 122.2(15) . . ?
C24 C23 C22 120.9(17) . . ?
C23 C24 C25 118.9(16) . . ?
C24 C25 C26 120.3(15) . . ?
C21 C26 C25 120.3(14) . . ?
C36 C31 C32 117.8(12) . . ?
C36 C31 P2 117.1(10) . . ?
C32 C31 P2 125.1(10) . . ?
C33 C32 C31 122.5(12) . . ?
C34 C33 C32 117.7(13) . . ?
C33 C34 C35 121.5(14) . . ?
C34 C35 C36 119.1(14) . . ?
C31 C36 C35 121.3(13) . . ?
C42 C41 C46 116.9(10) . . ?
C42 C41 P1 122.3(8) . . ?
C46 C41 P1 120.7(8) . . ?
C43 C42 C41 121.4(11) . . ?
C44 C43 C42 120.2(12) . . ?
C45 C44 C43 119.2(13) . . ?
C44 C45 C46 120.8(12) . . ?
C45 C46 C41 121.4(11) . . ?
C56 C51 C52 117.5(10) . . ?
C56 C51 P1 120.0(8) . . ?
C52 C51 P1 122.4(9) . . ?
C51 C52 C53 120.2(12) . . ?
C54 C53 C52 120.6(13) . . ?
C53 C54 C55 119.4(13) . . ?
C54 C55 C56 121.4(13) . . ?
C51 C56 C55 120.9(12) . . ?
N1 C62 C63 121.5(13) . . ?
C62 C63 C64 120.2(14) . . ?
C63 C64 C65 118.1(14) . . ?
C64 C65 C66 121.1(14) . . ?
N1 C66 C65 119.7(13) . . ?
N2 C72 C73 122.7(16) . . ?
C72 C73 C74 116.8(17) . . ?
C75 C74 C73 120.1(15) . . ?
C74 C75 C76 119.9(19) . . ?
N2 C76 C75 122.6(17) . . ?
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 O1 2.016(6) . ?
Ru1 O12 2.018(7) . ?
Ru1 O4 2.019(7) . ?
Ru1 O10 2.021(7) . ?
Ru1 O2 2.027(7) . ?
Ru1 P1 2.366(3) . ?
Ru2 O1 1.898(6) . ?
Ru2 O6 2.029(9) . ?
Ru2 O3 2.031(8) . ?
Ru2 O5 2.045(7) . ?
Ru2 O8 2.047(8) . ?
Ru2 N2 2.124(9) . ?
Ru3 O1 1.915(6) . ?
Ru3 O11 2.018(7) . ?
Ru3 O13 2.018(7) . ?
Ru3 O9 2.029(7) . ?
Ru3 O7 2.048(8) . ?
Ru3 N1 2.130(8) . ?
P1 C13 1.758(11) . ?
P1 C51 1.801(10) . ?
P1 C41 1.809(11) . ?
P2 C14 1.780(12) . ?
P2 C21 1.823(12) . ?
P2 C31 1.830(13) . ?
P3 F4 1.413(17) . ?
P3 F2 1.419(15) . ?
P3 F1 1.434(15) . ?
P3 F3 1.454(12) . ?
P3 F6 1.517(14) . ?
P3 F5 1.539(16) . ?
O2 C1 1.272(12) . ?
O3 C1 1.221(13) . ?
O4 C7 1.267(12) . ?
O5 C7 1.246(12) . ?
O6 C11 1.239(14) . ?
O7 C11 1.234(14) . ?
O8 C9 1.226(12) . ?
O9 C9 1.242(12) . ?
O10 C5 1.257(12) . ?
O11 C5 1.249(12) . ?
O12 C3 1.246(11) . ?
O13 C3 1.258(12) . ?
N1 C62 1.351(13) . ?
N1 C66 1.362(15) . ?
N2 C76 1.326(16) . ?
N2 C72 1.353(16) . ?
C1 C2 1.502(15) . ?
C3 C4 1.504(14) . ?
C5 C6 1.499(13) . ?
C7 C8 1.486(14) . ?
C9 C10 1.525(14) . ?
C11 C12 1.540(16) . ?
C13 C14 1.201(13) . ?
C21 C22 1.320(17) . ?
C21 C26 1.376(16) . ?
C22 C23 1.38(2) . ?
C23 C24 1.32(2) . ?
C24 C25 1.35(2) . ?
C25 C26 1.388(19) . ?
C31 C36 1.374(15) . ?
C31 C32 1.385(15) . ?
C32 C33 1.383(17) . ?
C33 C34 1.376(18) . ?
C34 C35 1.377(18) . ?
C35 C36 1.385(18) . ?
C41 C42 1.380(13) . ?
C41 C46 1.383(14) . ?
C42 C43 1.379(15) . ?
C43 C44 1.371(17) . ?
C44 C45 1.351(16) . ?
C45 C46 1.374(16) . ?
C51 C56 1.369(14) . ?
C51 C52 1.395(14) . ?
C52 C53 1.412(16) . ?
C53 C54 1.330(18) . ?
C54 C55 1.367(18) . ?
C55 C56 1.377(15) . ?
C62 C63 1.369(16) . ?
C63 C64 1.37(2) . ?
C64 C65 1.378(19) . ?
C65 C66 1.379(17) . ?
C72 C73 1.378(19) . ?
C73 C74 1.40(3) . ?
C74 C75 1.34(3) . ?
C75 C76 1.357(18) . ?
