#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:48:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178724 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/35/4083524.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_4083524
loop_
_publ_author_name
'Namura, Kyo'
'Suzuki, Hiroharu'
_publ_section_title
;
 Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium
 Polyhydrido Complexes Supported by
 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2968
_journal_paper_doi               10.1021/om500018j
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C62 H148 F12 N8 O2 P6 Ru4'
_chemical_formula_weight         1855.98
_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                98.6770(12)
_cell_angle_beta                 105.8480(12)
_cell_angle_gamma                101.0200(12)
_cell_formula_units_Z            1
_cell_length_a                   11.5740(4)
_cell_length_b                   12.8761(6)
_cell_length_c                   14.7213(6)
_cell_measurement_reflns_used    24827
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      3.05
_cell_volume                     2023.11(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'SHELXS-97 (Sheldrick, 1990)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku Rotating Anode Ultrax18'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24762
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  0.8997
_exptl_absorpt_correction_T_min  0.7292
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             966
_exptl_crystal_size_max          0.690
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         7345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0336
_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)+(0.0398P)²+5.9399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                6741
_reflns_number_total             7345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500018j_si_001.cif
_cod_data_source_block           6bPF6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical'
changed to 'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4083517--4083527.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4083524
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 0.38459(2) 0.438922(18) 0.323259(17) 0.01397(8) Uani 1 1 d . . .
Ru2 Ru 0.24512(2) 0.244111(18) 0.315602(17) 0.01353(8) Uani 1 1 d . . .
P1 P 0.28824(7) 0.07723(6) 0.30765(6) 0.01507(16) Uani 1 1 d . . .
P2 P 0.04156(7) 0.20310(7) 0.31327(6) 0.01772(17) Uani 1 1 d . . .
P3 P -0.10697(9) -0.37435(8) 0.16736(7) 0.0304(2) Uani 1 1 d . . .
F1 F -0.1753(6) -0.3108(7) 0.2328(5) 0.0608(18) Uiso 0.535(9) 1 d P A 1
F2 F 0.0230(5) -0.3200(5) 0.2494(4) 0.0491(15) Uiso 0.535(9) 1 d P A 1
F3 F -0.0368(5) -0.4376(6) 0.1091(4) 0.0526(16) Uiso 0.535(9) 1 d P A 1
F4 F -0.2362(6) -0.4222(6) 0.0854(5) 0.070(2) Uiso 0.535(9) 1 d P A 1
F5 F -0.1252(9) -0.4719(6) 0.2211(6) 0.087(2) Uiso 0.535(9) 1 d P A 1
F6 F -0.0909(9) -0.2723(6) 0.1189(6) 0.083(2) Uiso 0.535(9) 1 d P A 1
F1A F -0.1931(6) -0.3561(6) 0.2310(4) 0.0419(16) Uiso 0.465(9) 1 d P A 2
F2A F 0.0024(8) -0.2809(8) 0.2314(6) 0.073(2) Uiso 0.465(9) 1 d P A 2
F3A F -0.0257(6) -0.3930(7) 0.0953(5) 0.058(2) Uiso 0.465(9) 1 d P A 2
F4A F -0.2191(6) -0.4741(7) 0.0965(5) 0.061(2) Uiso 0.465(9) 1 d P A 2
F5A F -0.0554(12) -0.4583(8) 0.2291(7) 0.100(3) Uiso 0.465(9) 1 d P A 2
F6A F -0.1621(10) -0.3040(7) 0.0970(6) 0.079(3) Uiso 0.465(9) 1 d P A 2
N1 N 0.3469(3) 0.5932(2) 0.3111(2) 0.0215(6) Uani 1 1 d . . .
N2 N 0.5477(3) 0.5087(2) 0.2899(2) 0.0221(6) Uani 1 1 d . . .
N3 N 0.3062(2) 0.4050(2) 0.17121(19) 0.0184(5) Uani 1 1 d . . .
N4 N 0.4701(2) 0.4838(2) 0.46090(19) 0.0168(5) Uani 1 1 d . . .
C1 C 0.4712(3) 0.6691(3) 0.3401(3) 0.0285(8) Uani 1 1 d . . .
H1A H 0.5106 0.6800 0.4106 0.034 Uiso 1 1 calc R . .
H1B H 0.4620 0.7402 0.3254 0.034 Uiso 1 1 calc R . .
C2 C 0.5529(3) 0.6259(3) 0.2875(3) 0.0286(8) Uani 1 1 d . . .
H2A H 0.5259 0.6335 0.2194 0.034 Uiso 1 1 calc R . .
H2B H 0.6394 0.6692 0.3179 0.034 Uiso 1 1 calc R . .
C3 C 0.5313(3) 0.4446(3) 0.1920(2) 0.0250(7) Uani 1 1 d . . .
H3A H 0.5422 0.3710 0.1970 0.030 Uiso 1 1 calc R . .
H3B H 0.5952 0.4799 0.1658 0.030 Uiso 1 1 calc R . .
C4 C 0.4038(3) 0.4365(3) 0.1242(2) 0.0248(7) Uani 1 1 d . . .
H4A H 0.4003 0.5072 0.1063 0.030 Uiso 1 1 calc R . .
H4B H 0.3877 0.3819 0.0643 0.030 Uiso 1 1 calc R . .
C5 C 0.2131(3) 0.4716(3) 0.1541(2) 0.0224(7) Uani 1 1 d . . .
H5A H 0.1429 0.4417 0.1764 0.027 Uiso 1 1 calc R . .
H5B H 0.1805 0.4692 0.0840 0.027 Uiso 1 1 calc R . .
C6 C 0.2730(3) 0.5875(3) 0.2082(2) 0.0253(7) Uani 1 1 d . . .
H6A H 0.3281 0.6227 0.1750 0.030 Uiso 1 1 calc R . .
H6B H 0.2080 0.6276 0.2079 0.030 Uiso 1 1 calc R . .
C7 C 0.2767(4) 0.6273(3) 0.3764(3) 0.0301(8) Uani 1 1 d . . .
H7A H 0.1938 0.5784 0.3555 0.045 Uiso 1 1 calc R . .
H7B H 0.2695 0.7015 0.3740 0.045 Uiso 1 1 calc R . .
H7C H 0.3205 0.6244 0.4428 0.045 Uiso 1 1 calc R . .
C8 C 0.6642(3) 0.4997(3) 0.3582(3) 0.0301(8) Uani 1 1 d . . .
H8A H 0.6582 0.4239 0.3632 0.045 Uiso 1 1 calc R . .
H8B H 0.6776 0.5443 0.4221 0.045 Uiso 1 1 calc R . .
H8C H 0.7337 0.5249 0.3347 0.045 Uiso 1 1 calc R . .
C9 C 0.2436(3) 0.2883(3) 0.1309(2) 0.0229(7) Uani 1 1 d . . .
H9A H 0.3059 0.2458 0.1360 0.034 Uiso 1 1 calc R . .
H9B H 0.1955 0.2784 0.0628 0.034 Uiso 1 1 calc R . .
H9C H 0.1880 0.2640 0.1672 0.034 Uiso 1 1 calc R . .
C10 C 0.4514(3) 0.0817(3) 0.3055(2) 0.0211(7) Uani 1 1 d . . .
H10 H 0.4627 0.0064 0.3033 0.025 Uiso 1 1 calc R . .
C11 C 0.4756(3) 0.1158(3) 0.2163(3) 0.0272(8) Uani 1 1 d . . .
H11A H 0.4142 0.0680 0.1580 0.041 Uiso 1 1 calc R . .
H11B H 0.5588 0.1104 0.2161 0.041 Uiso 1 1 calc R . .
H11C H 0.4692 0.1907 0.2174 0.041 Uiso 1 1 calc R . .
C12 C 0.5518(3) 0.1546(3) 0.3955(3) 0.0275(8) Uani 1 1 d . . .
H12A H 0.5498 0.1236 0.4521 0.041 Uiso 1 1 calc R . .
H12B H 0.5364 0.2271 0.4056 0.041 Uiso 1 1 calc R . .
H12C H 0.6332 0.1597 0.3862 0.041 Uiso 1 1 calc R . .
C13 C 0.2954(3) 0.0027(3) 0.4098(2) 0.0206(7) Uani 1 1 d . . .
H13 H 0.3571 -0.0415 0.4072 0.025 Uiso 1 1 calc R . .
C14 C 0.1764(3) -0.0769(3) 0.4055(3) 0.0261(7) Uani 1 1 d . . .
H14A H 0.1411 -0.1251 0.3413 0.039 Uiso 1 1 calc R . .
H14B H 0.1165 -0.0365 0.4178 0.039 Uiso 1 1 calc R . .
H14C H 0.1953 -0.1200 0.4547 0.039 Uiso 1 1 calc R . .
C15 C 0.3456(3) 0.0791(3) 0.5094(2) 0.0254(7) Uani 1 1 d . . .
H15A H 0.4216 0.1312 0.5134 0.038 Uiso 1 1 calc R . .
H15B H 0.3639 0.0371 0.5594 0.038 Uiso 1 1 calc R . .
H15C H 0.2836 0.1181 0.5191 0.038 Uiso 1 1 calc R . .
C16 C 0.1957(3) -0.0367(2) 0.2015(2) 0.0192(6) Uani 1 1 d . . .
H16 H 0.1147 -0.0616 0.2131 0.023 Uiso 1 1 calc R . .
C17 C 0.1623(3) -0.0022(3) 0.1044(2) 0.0249(7) Uani 1 1 d . . .
H17A H 0.1398 0.0674 0.1130 0.037 Uiso 1 1 calc R . .
H17B H 0.0922 -0.0572 0.0578 0.037 Uiso 1 1 calc R . .
H17C H 0.2337 0.0052 0.0801 0.037 Uiso 1 1 calc R . .
C18 C 0.2472(3) -0.1375(3) 0.1919(3) 0.0277(8) Uani 1 1 d . . .
H18A H 0.2667 -0.1599 0.2539 0.042 Uiso 1 1 calc R . .
H18B H 0.3226 -0.1208 0.1732 0.042 Uiso 1 1 calc R . .
H18C H 0.1853 -0.1964 0.1423 0.042 Uiso 1 1 calc R . .
C19 C -0.0526(3) 0.0590(3) 0.2826(2) 0.0229(7) Uani 1 1 d . . .
H19 H 0.0080 0.0163 0.3079 0.028 Uiso 1 1 calc R . .
C20 C -0.1040(3) 0.0122(3) 0.1736(3) 0.0293(8) Uani 1 1 d . . .
H20A H -0.0404 0.0348 0.1433 0.044 Uiso 1 1 calc R . .
H20B H -0.1768 0.0389 0.1459 0.044 Uiso 1 1 calc R . .
H20C H -0.1275 -0.0671 0.1617 0.044 Uiso 1 1 calc R . .
C21 C -0.1561(3) 0.0304(3) 0.3276(3) 0.0337(9) Uani 1 1 d . . .
H21A H -0.1224 0.0541 0.3981 0.051 Uiso 1 1 calc R . .
H21B H -0.1907 -0.0482 0.3103 0.051 Uiso 1 1 calc R . .
H21C H -0.2215 0.0668 0.3031 0.051 Uiso 1 1 calc R . .
C22 C 0.0190(3) 0.2572(3) 0.4310(3) 0.0260(7) Uani 1 1 d . . .
H22 H -0.0714 0.2336 0.4226 0.031 Uiso 1 1 calc R . .
C23 C 0.0868(4) 0.2122(3) 0.5139(3) 0.0315(8) Uani 1 1 d . . .
H23A H 0.0665 0.1330 0.4950 0.047 Uiso 1 1 calc R . .
H23B H 0.0613 0.2338 0.5707 0.047 Uiso 1 1 calc R . .
H23C H 0.1763 0.2409 0.5294 0.047 Uiso 1 1 calc R . .
C24 C 0.0550(4) 0.3811(3) 0.4575(3) 0.0346(9) Uani 1 1 d . . .
H24A H -0.0011 0.4092 0.4100 0.052 Uiso 1 1 calc R . .
H24B H 0.1403 0.4075 0.4575 0.052 Uiso 1 1 calc R . .
H24C H 0.0489 0.4060 0.5219 0.052 Uiso 1 1 calc R . .
C25 C -0.0541(3) 0.2784(3) 0.2347(3) 0.0258(7) Uani 1 1 d . . .
H25 H -0.0065 0.3559 0.2566 0.031 Uiso 1 1 calc R . .
C26 C -0.1820(3) 0.2781(3) 0.2467(3) 0.0356(9) Uani 1 1 d . . .
H26A H -0.1727 0.3024 0.3153 0.053 Uiso 1 1 calc R . .
H26B H -0.2355 0.2046 0.2228 0.053 Uiso 1 1 calc R . .
H26C H -0.2193 0.3272 0.2098 0.053 Uiso 1 1 calc R . .
C27 C -0.0711(3) 0.2496(3) 0.1258(3) 0.0321(8) Uani 1 1 d . . .
H27A H 0.0028 0.2293 0.1162 0.048 Uiso 1 1 calc R . .
H27B H -0.0833 0.3124 0.0976 0.048 Uiso 1 1 calc R . .
H27C H -0.1436 0.1887 0.0943 0.048 Uiso 1 1 calc R . .
O1 O 0.4662(7) 0.7299(6) 0.1093(6) 0.038(2) Uiso 0.418(12) 1 d P B 1
C28 C 0.5710(9) 0.8181(9) 0.1394(8) 0.029(2) Uiso 0.418(12) 1 d P B 1
O1A O 0.4885(5) 0.6941(4) 0.0707(4) 0.0350(17) Uiso 0.582(12) 1 d P B 2
C28A C 0.5861(8) 0.7910(8) 0.1143(7) 0.043(2) Uiso 0.582(12) 1 d P B 2
C29 C 0.5666(5) 0.8675(4) 0.0509(4) 0.0513(12) Uiso 1 1 d . . .
C30 C 0.4289(4) 0.8356(4) -0.0046(3) 0.0442(10) Uiso 1 1 d . B .
C31 C 0.3865(4) 0.7223(3) 0.0115(3) 0.0354(9) Uiso 1 1 d . . .
H1 H 0.414(3) 0.308(3) 0.323(3) 0.019(9) Uiso 1 1 d . . .
H2 H 0.239(3) 0.390(3) 0.337(3) 0.022(9) Uiso 1 1 d . . .
H3 H 0.275(4) 0.252(3) 0.419(3) 0.028(10) Uiso 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'
Ru Ru -1.2594 0.8363 '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'
F F 0.0171 0.0103 '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'
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
N4 Ru1 N3 173.38(10) .
N4 Ru1 N1 93.80(10) .
N3 Ru1 N1 82.58(10) .
N4 Ru1 N2 91.79(11) .
N3 Ru1 N2 82.26(10) .
N1 Ru1 N2 82.32(11) .
N4 Ru1 Ru2 100.25(8) .
N3 Ru1 Ru2 86.21(7) .
N1 Ru1 Ru2 134.06(8) .
N2 Ru1 Ru2 139.83(8) .
P1 Ru2 P2 101.43(3) .
P1 Ru2 Ru1 131.39(2) .
P2 Ru2 Ru1 127.18(2) .
C16 P1 C10 101.60(15) .
C16 P1 C13 100.09(14) .
C10 P1 C13 96.30(15) .
C16 P1 Ru2 119.90(10) .
C10 P1 Ru2 112.41(11) .
C13 P1 Ru2 122.35(11) .
C22 P2 C19 101.79(16) .
C22 P2 C25 98.74(16) .
C19 P2 C25 106.37(16) .
C22 P2 Ru2 113.63(11) .
C19 P2 Ru2 121.61(11) .
C25 P2 Ru2 111.88(11) .
F2A P3 F6A 94.4(5) .
F2A P3 F1A 94.6(4) .
F6A P3 F1A 93.0(4) .
F2A P3 F3 99.3(4) .
F6A P3 F3 102.6(4) .
F1A P3 F3 158.1(3) .
F2A P3 F4 153.0(4) .
F6A P3 F4 59.3(4) .
F1A P3 F4 81.9(3) .
F3 P3 F4 92.9(3) .
F2A P3 F6 67.8(4) .
F6A P3 F6 29.3(3) .
F1A P3 F6 106.4(4) .
F3 P3 F6 94.5(4) .
F4 P3 F6 87.4(4) .
F2A P3 F5 110.7(5) .
F6A P3 F5 150.4(5) .
F1A P3 F5 70.2(4) .
F3 P3 F5 88.9(4) .
F4 P3 F5 93.4(4) .
F6 P3 F5 176.4(4) .
F2A P3 F2 24.1(3) .
F6A P3 F2 117.9(4) .
F1A P3 F2 97.7(3) .
F3 P3 F2 88.6(3) .
F4 P3 F2 177.1(4) .
F6 P3 F2 89.9(4) .
F5 P3 F2 89.1(4) .
F2A P3 F5A 91.0(5) .
F6A P3 F5A 173.4(5) .
F1A P3 F5A 90.3(4) .
F3 P3 F5A 72.7(4) .
F4 P3 F5A 115.7(5) .
F6 P3 F5A 153.5(5) .
F5 P3 F5A 27.6(4) .
F2 P3 F5A 67.2(4) .
F2A P3 F3A 87.8(4) .
F6A P3 F3A 83.7(4) .
F1A P3 F3A 176.1(3) .
F3 P3 F3A 23.0(3) .
F4 P3 F3A 94.5(3) .
F6 P3 F3A 71.7(4) .
F5 P3 F3A 111.7(4) .
F2 P3 F3A 85.8(3) .
F5A P3 F3A 92.7(5) .
F2A P3 F4A 177.5(4) .
F6A P3 F4A 85.3(4) .
F1A P3 F4A 87.8(3) .
F3 P3 F4A 78.4(3) .
F4 P3 F4A 27.4(3) .
F6 P3 F4A 111.4(4) .
F5 P3 F4A 70.3(4) .
F2 P3 F4A 155.6(4) .
F5A P3 F4A 89.1(5) .
F3A P3 F4A 89.7(4) .
F2A P3 F1 79.5(4) .
F6A P3 F1 80.3(4) .
F1A P3 F1 20.6(3) .
F3 P3 F1 176.9(3) .
F4 P3 F1 89.4(3) .
F6 P3 F1 87.7(4) .
F5 P3 F1 88.8(4) .
F2 P3 F1 89.3(3) .
F5A P3 F1 104.4(4) .
F3A P3 F1 158.8(4) .
F4A P3 F1 102.8(3) .
C1 N1 C7 109.9(3) .
C1 N1 C6 112.2(3) .
C7 N1 C6 109.1(3) .
C1 N1 Ru1 104.5(2) .
C7 N1 Ru1 112.2(2) .
C6 N1 Ru1 108.99(19) .
C8 N2 C3 108.9(3) .
C8 N2 C2 109.6(3) .
C3 N2 C2 110.8(3) .
C8 N2 Ru1 113.6(2) .
C3 N2 Ru1 104.32(19) .
C2 N2 Ru1 109.5(2) .
C9 N3 C5 109.8(3) .
C9 N3 C4 108.6(3) .
C5 N3 C4 111.3(3) .
C9 N3 Ru1 112.15(19) .
C5 N3 Ru1 104.27(19) .
C4 N3 Ru1 110.67(19) .
N4 N4 Ru1 172.9(3) 2_666
N1 C1 C2 111.1(3) .
N2 C2 C1 111.3(3) .
N2 C3 C4 110.4(3) .
N3 C4 C3 110.7(3) .
N3 C5 C6 109.7(3) .
N1 C6 C5 111.5(3) .
C11 C10 C12 108.4(3) .
C11 C10 P1 113.0(2) .
C12 C10 P1 113.9(2) .
C15 C13 C14 108.2(3) .
C15 C13 P1 112.7(2) .
C14 C13 P1 117.3(2) .
C17 C16 C18 110.0(3) .
C17 C16 P1 114.3(2) .
C18 C16 P1 116.0(2) .
C20 C19 C21 108.7(3) .
C20 C19 P2 112.7(2) .
C21 C19 P2 119.1(2) .
C23 C22 C24 110.0(3) .
C23 C22 P2 113.0(2) .
C24 C22 P2 112.0(3) .
C27 C25 C26 107.9(3) .
C27 C25 P2 116.5(2) .
C26 C25 P2 115.8(3) .
C28 O1 C31 112.9(6) .
O1 C28 C29 105.3(7) .
C31 O1A C28A 108.1(5) .
O1A C28A C29 107.3(6) .
C28A C29 C30 105.8(5) .
C28A C29 C28 21.3(4) .
C30 C29 C28 102.2(5) .
C29 C30 C31 103.3(4) .
O1A C31 O1 32.5(3) .
O1A C31 C30 109.0(4) .
O1 C31 C30 101.9(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N4 1.937(3) .
Ru1 N3 2.114(3) .
Ru1 N1 2.136(3) .
Ru1 N2 2.145(3) .
Ru1 Ru2 2.6791(3) .
Ru2 P1 2.2903(8) .
Ru2 P2 2.3034(8) .
P1 C16 1.880(3) .
P1 C10 1.888(3) .
P1 C13 1.893(3) .
P2 C22 1.873(3) .
P2 C19 1.881(3) .
P2 C25 1.885(3) .
P3 F2A 1.537(8) .
P3 F6A 1.563(8) .
P3 F1A 1.568(6) .
P3 F3 1.576(6) .
P3 F4 1.584(7) .
P3 F6 1.591(8) .
P3 F5 1.593(8) .
P3 F2 1.600(6) .
P3 F5A 1.611(10) .
P3 F3A 1.620(7) .
P3 F4A 1.625(7) .
P3 F1 1.627(7) .
N1 C1 1.486(4) .
N1 C7 1.487(5) .
N1 C6 1.506(4) .
N2 C8 1.483(4) .
N2 C3 1.492(4) .
N2 C2 1.505(4) .
N3 C9 1.488(4) .
N3 C5 1.494(4) .
N3 C4 1.503(4) .
N4 N4 1.135(5) 2_666
C1 C2 1.508(5) .
C3 C4 1.513(5) .
C5 C6 1.512(5) .
C10 C11 1.524(5) .
C10 C12 1.533(5) .
C13 C15 1.528(5) .
C13 C14 1.532(5) .
C16 C17 1.532(5) .
C16 C18 1.532(4) .
C19 C20 1.531(5) .
C19 C21 1.532(5) .
C22 C23 1.517(5) .
C22 C24 1.531(5) .
C25 C27 1.537(5) .
C25 C26 1.538(5) .
O1 C28 1.409(12) .
O1 C31 1.461(8) .
C28 C29 1.527(11) .
O1A C31 1.408(6) .
O1A C28A 1.439(10) .
C28A C29 1.463(10) .
C29 C30 1.521(7) .
C30 C31 1.521(6) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
N4 Ru1 Ru2 P1 -84.57(8) .
N3 Ru1 Ru2 P1 93.98(8) .
N1 Ru1 Ru2 P1 169.84(11) .
N2 Ru1 Ru2 P1 20.71(12) .
N4 Ru1 Ru2 P2 96.39(8) .
N3 Ru1 Ru2 P2 -85.06(8) .
N1 Ru1 Ru2 P2 -9.20(11) .
N2 Ru1 Ru2 P2 -158.33(12) .
P2 Ru2 P1 C16 59.59(12) .
Ru1 Ru2 P1 C16 -119.63(12) .
P2 Ru2 P1 C10 178.79(12) .
Ru1 Ru2 P1 C10 -0.43(12) .
P2 Ru2 P1 C13 -67.52(13) .
Ru1 Ru2 P1 C13 113.26(13) .
P1 Ru2 P2 C22 110.23(13) .
Ru1 Ru2 P2 C22 -70.50(13) .
P1 Ru2 P2 C19 -11.86(13) .
Ru1 Ru2 P2 C19 167.41(13) .
P1 Ru2 P2 C25 -139.01(12) .
Ru1 Ru2 P2 C25 40.26(13) .
N4 Ru1 N1 C1 61.9(2) .
N3 Ru1 N1 C1 -112.5(2) .
N2 Ru1 N1 C1 -29.4(2) .
Ru2 Ru1 N1 C1 170.14(16) .
N4 Ru1 N1 C7 -57.1(2) .
N3 Ru1 N1 C7 128.5(2) .
N2 Ru1 N1 C7 -148.4(2) .
Ru2 Ru1 N1 C7 51.2(3) .
N4 Ru1 N1 C6 -178.0(2) .
N3 Ru1 N1 C6 7.6(2) .
N2 Ru1 N1 C6 90.7(2) .
Ru2 Ru1 N1 C6 -69.8(2) .
N4 Ru1 N2 C8 35.4(2) .
N3 Ru1 N2 C8 -147.5(2) .
N1 Ru1 N2 C8 129.0(2) .
Ru2 Ru1 N2 C8 -72.9(3) .
N4 Ru1 N2 C3 153.9(2) .
N3 Ru1 N2 C3 -29.0(2) .
N1 Ru1 N2 C3 -112.5(2) .
Ru2 Ru1 N2 C3 45.6(2) .
N4 Ru1 N2 C2 -87.6(2) .
N3 Ru1 N2 C2 89.5(2) .
N1 Ru1 N2 C2 6.0(2) .
Ru2 Ru1 N2 C2 164.19(16) .
N4 Ru1 N3 C9 152.6(8) .
N1 Ru1 N3 C9 -150.3(2) .
N2 Ru1 N3 C9 126.5(2) .
Ru2 Ru1 N3 C9 -14.9(2) .
N4 Ru1 N3 C5 -88.6(9) .
N1 Ru1 N3 C5 -31.5(2) .
N2 Ru1 N3 C5 -114.7(2) .
Ru2 Ru1 N3 C5 103.87(19) .
N4 Ru1 N3 C4 31.2(10) .
N1 Ru1 N3 C4 88.3(2) .
N2 Ru1 N3 C4 5.1(2) .
Ru2 Ru1 N3 C4 -136.3(2) .
N3 Ru1 N4 N4 -16(3) 2_666
N1 Ru1 N4 N4 -73(3) 2_666
N2 Ru1 N4 N4 10(3) 2_666
Ru2 Ru1 N4 N4 151(3) 2_666
C7 N1 C1 C2 169.7(3) .
C6 N1 C1 C2 -68.8(4) .
Ru1 N1 C1 C2 49.1(3) .
C8 N2 C2 C1 -106.2(3) .
C3 N2 C2 C1 133.5(3) .
Ru1 N2 C2 C1 19.0(3) .
N1 C1 C2 N2 -46.8(4) .
C8 N2 C3 C4 170.7(3) .
C2 N2 C3 C4 -68.7(3) .
Ru1 N2 C3 C4 49.0(3) .
C9 N3 C4 C3 -103.2(3) .
C5 N3 C4 C3 135.8(3) .
Ru1 N3 C4 C3 20.3(3) .
N2 C3 C4 N3 -47.5(4) .
C9 N3 C5 C6 171.3(3) .
C4 N3 C5 C6 -68.4(3) .
Ru1 N3 C5 C6 50.9(3) .
C1 N1 C6 C5 133.7(3) .
C7 N1 C6 C5 -104.3(3) .
Ru1 N1 C6 C5 18.5(3) .
N3 C5 C6 N1 -47.4(4) .
C16 P1 C10 C11 66.0(3) .
C13 P1 C10 C11 167.7(2) .
Ru2 P1 C10 C11 -63.5(3) .
C16 P1 C10 C12 -169.7(2) .
C13 P1 C10 C12 -68.0(3) .
Ru2 P1 C10 C12 60.8(3) .
C16 P1 C13 C15 -169.4(2) .
C10 P1 C13 C15 87.6(3) .
Ru2 P1 C13 C15 -34.0(3) .
C16 P1 C13 C14 -42.8(3) .
C10 P1 C13 C14 -145.8(3) .
Ru2 P1 C13 C14 92.6(3) .
C10 P1 C16 C17 -86.2(3) .
C13 P1 C16 C17 175.2(2) .
Ru2 P1 C16 C17 38.4(3) .
C10 P1 C16 C18 43.5(3) .
C13 P1 C16 C18 -55.1(3) .
Ru2 P1 C16 C18 168.0(2) .
C22 P2 C19 C20 151.6(2) .
C25 P2 C19 C20 48.7(3) .
Ru2 P2 C19 C20 -80.8(3) .
C22 P2 C19 C21 22.4(3) .
C25 P2 C19 C21 -80.4(3) .
Ru2 P2 C19 C21 150.0(2) .
C19 P2 C22 C23 71.5(3) .
C25 P2 C22 C23 -179.6(3) .
Ru2 P2 C22 C23 -61.0(3) .
C19 P2 C22 C24 -163.5(3) .
C25 P2 C22 C24 -54.6(3) .
Ru2 P2 C22 C24 64.0(3) .
C22 P2 C25 C27 -174.7(3) .
C19 P2 C25 C27 -69.6(3) .
Ru2 P2 C25 C27 65.4(3) .
C22 P2 C25 C26 -46.2(3) .
C19 P2 C25 C26 58.9(3) .
Ru2 P2 C25 C26 -166.1(2) .
C31 O1 C28 C29 -5.3(10) .
C31 O1A C28A C29 -25.0(8) .
O1A C28A C29 C30 25.0(8) .
O1A C28A C29 C28 108.1(17) .
O1 C28 C29 C28A -75.7(16) .
O1 C28 C29 C30 26.5(8) .
C28A C29 C30 C31 -15.6(6) .
C28 C29 C30 C31 -37.2(6) .
C28A O1A C31 O1 -67.7(7) .
C28A O1A C31 C30 14.6(6) .
C28 O1 C31 O1A 88.7(9) .
C28 O1 C31 C30 -18.1(8) .
C29 C30 C31 O1A 0.9(5) .
C29 C30 C31 O1 33.9(5) .
