#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:53:05 +0100 (lun 21 de mar de 2016) $
#$Revision: 178586 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/97/4069773.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_4069773
loop_
_publ_author_name
'Salem, Hiyam'
'Shimon, Linda J. W.'
'Diskin-Posner, Yael'
'Leitus, Gregory'
'Ben-David, Yehoshoa'
'Milstein, David'
_publ_section_title
;
 Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron
 Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands.
 Reactivity toward Water and Electrophiles
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4791
_journal_paper_doi               10.1021/om9004077
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         '2(C28 H46 N2 O7 P2 Ru2), C5 H12'
_chemical_formula_sum            'C61 H104 N4 O14 P4 Ru4'
_chemical_formula_weight         1645.64
_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                103.079(2)
_cell_angle_beta                 99.442(2)
_cell_angle_gamma                107.519(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4286(4)
_cell_length_b                   14.0069(5)
_cell_length_c                   14.7373(5)
_cell_measurement_reflns_used    48616
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.39
_cell_measurement_theta_min      1.59
_cell_volume                     1750.49(12)
_computing_cell_refinement       'Bruker Apex2'
_computing_data_collection       'Bruker Apex2'
_computing_data_reduction        'Bruker Apex2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker KappaApexII 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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            48618
_diffrn_reflns_theta_full        33.39
_diffrn_reflns_theta_max         33.39
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    1.000
_exptl_absorpt_correction_T_max  0.8894
_exptl_absorpt_correction_T_min  0.8251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex2'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.768
_refine_diff_density_min         -0.987
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         13348
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      2.983
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0290
_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)+(0.0322P)²+1.9919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                11731
_reflns_number_total             13348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9004077_si_001.cif
_cod_data_source_block           complex14
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1750.48(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4069773
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 0.08694(4) 0.27502(3) 0.69563(3) 0.01503(9) Uani 1 1 d . . .
Ru2 Ru -0.08496(4) 0.07610(3) 0.70339(2) 0.01383(9) Uani 1 1 d . . .
P4 P -0.24849(15) 0.02891(10) 0.79459(9) 0.0168(2) Uani 1 1 d . A .
P5 P 0.29849(14) 0.40133(9) 0.69590(9) 0.0168(2) Uani 1 1 d . . .
O1 O -0.2214(5) -0.0791(3) 0.8121(3) 0.0268(8) Uani 1 1 d . . .
O2 O 0.0713(4) -0.0722(3) 0.5887(3) 0.0212(7) Uani 1 1 d . . .
H2A H 0.0739 -0.0101 0.6031 0.032 Uiso 1 1 calc R . .
O3 O 0.1085(4) 0.1064(3) 0.8145(2) 0.0187(6) Uani 1 1 d . . .
O4 O 0.4074(4) 0.4317(3) 0.8069(3) 0.0207(7) Uani 1 1 d . . .
O5 O -0.1300(5) 0.3176(4) 0.5509(3) 0.0333(9) Uani 1 1 d . . .
O6 O -0.3229(5) 0.0507(4) 0.5307(3) 0.0323(9) Uani 1 1 d . . .
O7 O 0.0837(4) 0.1129(3) 0.6194(3) 0.0174(6) Uani 1 1 d D . .
N1 N -0.0816(4) -0.0779(3) 0.6960(3) 0.0149(6) Uani 1 1 d . . .
C1 C -0.1453(5) -0.1259(4) 0.7568(3) 0.0170(8) Uani 1 1 d . . .
C2 C -0.1371(6) -0.2201(4) 0.7664(4) 0.0198(8) Uani 1 1 d . . .
H2B H -0.1861 -0.2527 0.8085 0.024 Uiso 1 1 calc R . .
C3 C -0.0538(6) -0.2652(4) 0.7117(4) 0.0231(9) Uani 1 1 d . . .
H3 H -0.0466 -0.3304 0.7154 0.028 Uiso 1 1 calc R . .
C4 C 0.0184(6) -0.2156(4) 0.6520(4) 0.0234(9) Uani 1 1 d . . .
H4 H 0.0774 -0.2454 0.6158 0.028 Uiso 1 1 calc R . .
C5 C 0.0033(5) -0.1209(4) 0.6457(3) 0.0176(8) Uani 1 1 d . . .
C6 C -0.4613(6) -0.0288(4) 0.7393(4) 0.0204(9) Uani 1 1 d . . .
C7 C -0.5548(7) -0.0757(5) 0.8047(5) 0.0324(12) Uani 1 1 d . . .
H7A H -0.5659 -0.0193 0.8530 0.049 Uiso 1 1 calc R . .
H7B H -0.5015 -0.1137 0.8371 0.049 Uiso 1 1 calc RD . .
H7C H -0.6566 -0.1239 0.7659 0.049 Uiso 1 1 calc R . .
C8 C -0.5183(6) 0.0546(5) 0.7112(4) 0.0244(10) Uani 1 1 d . . .
H8A H -0.6260 0.0220 0.6746 0.037 Uiso 1 1 calc R . .
H8B H -0.4560 0.0867 0.6716 0.037 Uiso 1 1 calc R . .
H8C H -0.5094 0.1086 0.7695 0.037 Uiso 1 1 calc R . .
C9 C -0.4891(7) -0.1198(4) 0.6494(4) 0.0288(11) Uani 1 1 d . . .
H9A H -0.5981 -0.1479 0.6154 0.043 Uiso 1 1 calc R . .
H9B H -0.4600 -0.1751 0.6689 0.043 Uiso 1 1 calc R . .
H9C H -0.4271 -0.0944 0.6068 0.043 Uiso 1 1 calc R . .
C10 C -0.2044(6) 0.1107(4) 0.9225(4) 0.0205(8) Uani 1 1 d . . .
C11A C -0.0270(11) 0.1819(8) 0.9627(6) 0.0229(18) Uani 0.560(10) 1 d P A 1
H11A H 0.0027 0.2255 0.9207 0.034 Uiso 0.560(10) 1 calc PR A 1
H11B H 0.0350 0.1370 0.9641 0.034 Uiso 0.560(10) 1 calc PR A 1
H11C H -0.0099 0.2269 1.0279 0.034 Uiso 0.560(10) 1 calc PR A 1
C12A C -0.2359(12) 0.0497(8) 0.9961(7) 0.026(2) Uani 0.560(10) 1 d P A 1
H12A H -0.2082 0.0991 1.0605 0.039 Uiso 0.560(10) 1 calc PR A 1
H12B H -0.1744 0.0043 0.9954 0.039 Uiso 0.560(10) 1 calc PR A 1
H12C H -0.3452 0.0067 0.9792 0.039 Uiso 0.560(10) 1 calc PR A 1
C13A C -0.2899(13) 0.1897(8) 0.9297(8) 0.029(2) Uani 0.560(10) 1 d P A 1
H13A H -0.2598 0.2353 0.9960 0.044 Uiso 0.560(10) 1 calc PR A 1
H13B H -0.4010 0.1515 0.9112 0.044 Uiso 0.560(10) 1 calc PR A 1
H13C H -0.2630 0.2323 0.8865 0.044 Uiso 0.560(10) 1 calc PR A 1
C11B C -0.3376(14) 0.0854(10) 0.9717(8) 0.023(2) Uani 0.440(10) 1 d P A 2
H11D H -0.3009 0.1248 1.0401 0.035 Uiso 0.440(10) 1 calc PR A 2
H11E H -0.3758 0.0102 0.9649 0.035 Uiso 0.440(10) 1 calc PR A 2
H11F H -0.4207 0.1050 0.9413 0.035 Uiso 0.440(10) 1 calc PR A 2
C12B C -0.0758(14) 0.0860(13) 0.9743(9) 0.033(3) Uani 0.440(10) 1 d P A 2
H12D H 0.0033 0.0906 0.9382 0.049 Uiso 0.440(10) 1 calc PR A 2
H12E H -0.1154 0.0149 0.9800 0.049 Uiso 0.440(10) 1 calc PR A 2
H12F H -0.0312 0.1362 1.0387 0.049 Uiso 0.440(10) 1 calc PR A 2
C13B C -0.1642(19) 0.2192(10) 0.9159(9) 0.034(3) Uani 0.440(10) 1 d P A 2
H13D H -0.1448 0.2677 0.9797 0.051 Uiso 0.440(10) 1 calc PR A 2
H13E H -0.2495 0.2245 0.8718 0.051 Uiso 0.440(10) 1 calc PR A 2
H13F H -0.0718 0.2372 0.8917 0.051 Uiso 0.440(10) 1 calc PR A 2
N2 N 0.2495(5) 0.2718(3) 0.8139(3) 0.0173(7) Uani 1 1 d . . .
C14 C 0.2261(6) 0.1906(4) 0.8534(3) 0.0185(8) Uani 1 1 d . . .
C15 C 0.3315(7) 0.2008(4) 0.9383(4) 0.0258(10) Uani 1 1 d . . .
H15 H 0.3152 0.1453 0.9669 0.031 Uiso 1 1 calc R . .
C16 C 0.4574(7) 0.2909(5) 0.9795(4) 0.0282(11) Uani 1 1 d . . .
H16 H 0.5259 0.2985 1.0378 0.034 Uiso 1 1 calc R . .
C17 C 0.4855(6) 0.3714(4) 0.9363(4) 0.0243(10) Uani 1 1 d . . .
H17 H 0.5735 0.4335 0.9629 0.029 Uiso 1 1 calc R . .
C18 C 0.3797(6) 0.3565(4) 0.8537(3) 0.0188(8) Uani 1 1 d . . .
C19 C 0.4247(6) 0.3602(4) 0.6206(4) 0.0201(8) Uani 1 1 d . . .
C20 C 0.4643(7) 0.2735(4) 0.6553(4) 0.0251(10) Uani 1 1 d . . .
H20A H 0.3695 0.2192 0.6545 0.038 Uiso 1 1 calc R . .
H20B H 0.5302 0.3034 0.7210 0.038 Uiso 1 1 calc R . .
H20C H 0.5183 0.2425 0.6125 0.038 Uiso 1 1 calc R . .
C21 C 0.5758(7) 0.4455(5) 0.6264(4) 0.0276(11) Uani 1 1 d . . .
H21A H 0.6410 0.4132 0.5952 0.041 Uiso 1 1 calc R . .
H21B H 0.6291 0.4829 0.6940 0.041 Uiso 1 1 calc R . .
H21C H 0.5538 0.4950 0.5937 0.041 Uiso 1 1 calc R . .
C22 C 0.3296(7) 0.3117(5) 0.5164(4) 0.0303(11) Uani 1 1 d . . .
H22A H 0.3002 0.3650 0.4931 0.045 Uiso 1 1 calc R . .
H22B H 0.2370 0.2540 0.5128 0.045 Uiso 1 1 calc R . .
H22C H 0.3907 0.2851 0.4763 0.045 Uiso 1 1 calc R . .
C23 C 0.3029(6) 0.5360(4) 0.6975(4) 0.0246(10) Uani 1 1 d . . .
C24 C 0.4633(7) 0.6203(4) 0.7422(5) 0.0315(12) Uani 1 1 d . . .
H24A H 0.5274 0.6160 0.6965 0.047 Uiso 1 1 calc R . .
H24B H 0.5106 0.6090 0.8013 0.047 Uiso 1 1 calc R . .
H24C H 0.4541 0.6897 0.7574 0.047 Uiso 1 1 calc R . .
C25 C 0.2420(9) 0.5380(5) 0.5948(5) 0.0377(14) Uani 1 1 d . . .
H25A H 0.2319 0.6061 0.5971 0.057 Uiso 1 1 calc R . .
H25B H 0.1415 0.4824 0.5658 0.057 Uiso 1 1 calc R . .
H25C H 0.3140 0.5268 0.5561 0.057 Uiso 1 1 calc R . .
C26 C 0.1963(8) 0.5634(5) 0.7596(6) 0.0350(14) Uani 1 1 d . . .
H26A H 0.2048 0.6365 0.7675 0.052 Uiso 1 1 calc R . .
H26B H 0.2263 0.5539 0.8229 0.052 Uiso 1 1 calc R . .
H26C H 0.0899 0.5174 0.7281 0.052 Uiso 1 1 calc R . .
C27 C -0.2373(6) 0.0560(4) 0.5986(4) 0.0209(9) Uani 1 1 d . . .
C28 C -0.0457(6) 0.2975(4) 0.6043(4) 0.0223(9) Uani 1 1 d . . .
C29 C 0.9880(10) 0.5028(9) 0.0492(6) 0.070(3) Uani 1 1 d . . .
H29A H 0.9009 0.4401 0.0457 0.084 Uiso 1 1 calc R . .
H29B H 0.9609 0.5652 0.0732 0.084 Uiso 1 1 calc R . .
C30 C 1.1333(10) 0.5089(11) 0.1210(7) 0.075(4) Uani 1 1 d . . .
H30A H 1.2192 0.5724 0.1263 0.090 Uiso 1 1 d . . .
H30B H 1.1125 0.5137 0.1852 0.090 Uiso 1 1 d . . .
H30C H 1.1599 0.4471 0.0994 0.090 Uiso 0.50 1 d P . .
C31 C 1.1762(17) 0.4299(12) 0.0974(12) 0.042(3) Uani 0.50 1 d P . .
H31A H 1.1834 0.4182 0.0306 0.063 Uiso 0.50 1 d P . .
H31B H 1.1003 0.3682 0.1039 0.063 Uiso 0.50 1 d P . .
H31C H 1.2761 0.4447 0.1397 0.063 Uiso 0.50 1 d P . .
H1 H -0.077(8) 0.195(6) 0.735(5) 0.025(17) Uiso 1 1 d . . .
H2 H 0.067(9) 0.367(6) 0.766(6) 0.03(2) Uiso 1 1 d . . .
H7 H 0.040(10) 0.104(7) 0.570(6) 0.04(2) 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'
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
C28 Ru1 N2 171.7(2) .
C28 Ru1 P5 96.85(16) .
N2 Ru1 P5 78.82(11) .
C28 Ru1 O7 102.0(2) .
N2 Ru1 O7 86.23(14) .
P5 Ru1 O7 111.70(9) .
C28 Ru1 Ru2 102.23(17) .
N2 Ru1 Ru2 83.91(11) .
P5 Ru1 Ru2 155.55(3) .
O7 Ru1 Ru2 49.47(8) .
C28 Ru1 H1 91(2) .
N2 Ru1 H1 91(2) .
P5 Ru1 H1 162(2) .
O7 Ru1 H1 82(2) .
Ru2 Ru1 H1 33(2) .
C28 Ru1 H2 85(3) .
N2 Ru1 H2 87(3) .
P5 Ru1 H2 82(3) .
O7 Ru1 H2 163(3) .
Ru2 Ru1 H2 114(3) .
H1 Ru1 H2 83(4) .
C27 Ru2 O3 173.20(17) .
C27 Ru2 N1 104.4(2) .
O3 Ru2 N1 77.49(14) .
C27 Ru2 O7 89.26(17) .
O3 Ru2 O7 84.04(14) .
N1 Ru2 O7 95.55(14) .
C27 Ru2 P4 94.31(15) .
O3 Ru2 P4 92.45(10) .
N1 Ru2 P4 80.00(10) .
O7 Ru2 P4 174.87(10) .
C27 Ru2 Ru1 92.72(16) .
O3 Ru2 Ru1 82.32(9) .
N1 Ru2 Ru1 144.05(10) .
O7 Ru2 Ru1 52.65(9) .
P4 Ru2 Ru1 130.67(4) .
C27 Ru2 H1 87(3) .
O3 Ru2 H1 92(3) .
N1 Ru2 H1 167(3) .
O7 Ru2 H1 92(3) .
P4 Ru2 H1 92(3) .
Ru1 Ru2 H1 40(3) .
O1 P4 C10 100.2(2) .
O1 P4 C6 98.5(2) .
C10 P4 C6 111.1(2) .
O1 P4 Ru2 102.37(13) .
C10 P4 Ru2 119.27(16) .
C6 P4 Ru2 119.98(16) .
O4 P5 C23 97.8(2) .
O4 P5 C19 101.5(2) .
C23 P5 C19 110.9(2) .
O4 P5 Ru1 102.62(13) .
C23 P5 Ru1 122.60(17) .
C19 P5 Ru1 116.47(17) .
C1 O1 P4 119.0(3) .
C5 O2 H2A 109.5 .
C14 O3 Ru2 129.3(3) .
C18 O4 P5 117.3(3) .
Ru2 O7 Ru1 77.89(11) .
Ru2 O7 H7 107(7) .
Ru1 O7 H7 102(7) .
C1 N1 C5 118.4(4) .
C1 N1 Ru2 117.9(3) .
C5 N1 Ru2 122.8(3) .
N1 C1 O1 118.4(4) .
N1 C1 C2 123.7(4) .
O1 C1 C2 117.9(4) .
C1 C2 C3 117.1(5) .
C1 C2 H2B 121.4 .
C3 C2 H2B 121.4 .
C4 C3 C2 120.5(5) .
C4 C3 H3 119.8 .
C2 C3 H3 119.8 .
C3 C4 C5 118.8(5) .
C3 C4 H4 120.6 .
C5 C4 H4 120.6 .
O2 C5 N1 118.8(4) .
O2 C5 C4 119.8(4) .
N1 C5 C4 121.4(4) .
C8 C6 C7 109.3(4) .
C8 C6 C9 110.3(5) .
C7 C6 C9 106.4(4) .
C8 C6 P4 109.8(3) .
C7 C6 P4 113.7(4) .
C9 C6 P4 107.2(4) .
C6 C7 H7A 109.5 .
C6 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C6 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C6 C8 H8A 109.5 .
C6 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C6 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C6 C9 H9A 109.5 .
C6 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C6 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C13B C10 C12B 115.5(10) .
C13B C10 C12A 140.1(7) .
C12B C10 C12A 61.5(7) .
C13B C10 C11B 110.3(8) .
C12B C10 C11B 108.1(7) .
C12A C10 C11B 47.8(6) .
C13B C10 C13A 46.6(8) .
C12B C10 C13A 143.8(8) .
C12A C10 C13A 109.7(6) .
C11B C10 C13A 65.9(7) .
C13B C10 C11A 64.4(8) .
C12B C10 C11A 51.4(7) .
C12A C10 C11A 103.9(6) .
C11B C10 C11A 132.6(7) .
C13A C10 C11A 104.5(6) .
C13B C10 P4 103.7(6) .
C12B C10 P4 104.3(6) .
C12A C10 P4 115.7(5) .
C11B C10 P4 114.9(6) .
C13A C10 P4 110.4(5) .
C11A C10 P4 111.9(4) .
C10 C11A H11A 109.5 .
C10 C11A H11B 109.5 .
C10 C11A H11C 109.5 .
C10 C12A H12A 109.5 .
C10 C12A H12B 109.5 .
C10 C12A H12C 109.5 .
C10 C13A H13A 109.5 .
C10 C13A H13B 109.5 .
C10 C13A H13C 109.5 .
C10 C11B H11D 109.5 .
C10 C11B H11E 109.5 .
H11D C11B H11E 109.5 .
C10 C11B H11F 109.5 .
H11D C11B H11F 109.5 .
H11E C11B H11F 109.5 .
C10 C12B H12D 109.5 .
C10 C12B H12E 109.5 .
H12D C12B H12E 109.5 .
C10 C12B H12F 109.5 .
H12D C12B H12F 109.5 .
H12E C12B H12F 109.5 .
C10 C13B H13D 109.5 .
C10 C13B H13E 109.5 .
H13D C13B H13E 109.5 .
C10 C13B H13F 109.5 .
H13D C13B H13F 109.5 .
H13E C13B H13F 109.5 .
C18 N2 C14 118.5(4) .
C18 N2 Ru1 117.9(3) .
C14 N2 Ru1 123.6(3) .
O3 C14 N2 120.4(4) .
O3 C14 C15 120.2(4) .
N2 C14 C15 119.4(4) .
C16 C15 C14 120.0(5) .
C16 C15 H15 120.0 .
C14 C15 H15 120.0 .
C15 C16 C17 120.5(5) .
C15 C16 H16 119.7 .
C17 C16 H16 119.7 .
C18 C17 C16 116.7(5) .
C18 C17 H17 121.6 .
C16 C17 H17 121.6 .
N2 C18 O4 117.1(4) .
N2 C18 C17 124.7(4) .
O4 C18 C17 118.2(4) .
C22 C19 C21 110.1(4) .
C22 C19 C20 107.8(5) .
C21 C19 C20 108.0(4) .
C22 C19 P5 107.9(4) .
C21 C19 P5 116.5(4) .
C20 C19 P5 106.2(3) .
C19 C20 H20A 109.5 .
C19 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C19 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
C19 C21 H21A 109.5 .
C19 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C19 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C19 C22 H22A 109.5 .
C19 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
C19 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C24 C23 C25 109.9(5) .
C24 C23 C26 107.2(5) .
C25 C23 C26 108.8(5) .
C24 C23 P5 113.3(4) .
C25 C23 P5 109.9(4) .
C26 C23 P5 107.7(3) .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C23 C25 H25A 109.5 .
C23 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C23 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C23 C26 H26A 109.5 .
C23 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C23 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
O6 C27 Ru2 173.5(4) .
O5 C28 Ru1 175.4(5) .
C29 C29 C30 112.1(9) 2_765
C29 C29 H29A 109.2 2_765
C30 C29 H29A 109.2 .
C29 C29 H29B 109.2 2_765
C30 C29 H29B 109.2 .
H29A C29 H29B 107.9 .
C31 C30 C29 114.1(11) .
C31 C30 H30A 108.1 .
C29 C30 H30A 109.3 .
C31 C30 H30B 107.8 .
C29 C30 H30B 109.1 .
H30A C30 H30B 108.2 .
C29 C30 H30C 110.3 .
H30A C30 H30C 110.1 .
H30B C30 H30C 109.8 .
C30 C31 H31A 108.7 .
H30C C31 H31A 101.3 .
C30 C31 H31B 109.0 .
H30C C31 H31B 104.3 .
H31A C31 H31B 109.9 .
C30 C31 H31C 109.0 .
H30C C31 H31C 120.5 .
H31A C31 H31C 110.1 .
H31B C31 H31C 110.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C28 1.830(5) .
Ru1 N2 2.143(4) .
Ru1 P5 2.2312(13) .
Ru1 O7 2.284(4) .
Ru1 Ru2 2.8089(5) .
Ru1 H1 1.88(7) .
Ru1 H2 1.54(8) .
Ru2 C27 1.833(5) .
Ru2 O3 2.104(4) .
Ru2 N1 2.145(4) .
Ru2 O7 2.183(3) .
Ru2 P4 2.2558(12) .
Ru2 H1 1.60(7) .
P4 O1 1.676(4) .
P4 C10 1.876(5) .
P4 C6 1.879(5) .
P5 O4 1.668(4) .
P5 C23 1.869(5) .
P5 C19 1.880(5) .
O1 C1 1.356(6) .
O2 C5 1.325(6) .
O2 H2A 0.8400 .
O3 C14 1.284(6) .
O4 C18 1.368(6) .
O5 C28 1.167(7) .
O6 C27 1.150(6) .
O7 H7 0.74(9) .
N1 C1 1.350(6) .
N1 C5 1.355(6) .
C1 C2 1.382(6) .
C2 C3 1.394(7) .
C2 H2B 0.9500 .
C3 C4 1.381(8) .
C3 H3 0.9500 .
C4 C5 1.398(7) .
C4 H4 0.9500 .
C6 C8 1.533(7) .
C6 C7 1.534(7) .
C6 C9 1.539(8) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C13B 1.482(14) .
C10 C12B 1.497(14) .
C10 C12A 1.538(10) .
C10 C11B 1.541(12) .
C10 C13A 1.548(11) .
C10 C11A 1.595(11) .
C11A H11A 0.9800 .
C11A H11B 0.9800 .
C11A H11C 0.9800 .
C12A H12A 0.9800 .
C12A H12B 0.9800 .
C12A H12C 0.9800 .
C13A H13A 0.9800 .
C13A H13B 0.9800 .
C13A H13C 0.9800 .
C11B H11D 0.9800 .
C11B H11E 0.9800 .
C11B H11F 0.9800 .
C12B H12D 0.9800 .
C12B H12E 0.9800 .
C12B H12F 0.9800 .
C13B H13D 0.9800 .
C13B H13E 0.9800 .
C13B H13F 0.9800 .
N2 C18 1.353(6) .
N2 C14 1.369(6) .
C14 C15 1.414(7) .
C15 C16 1.374(8) .
C15 H15 0.9500 .
C16 C17 1.395(8) .
C16 H16 0.9500 .
C17 C18 1.373(7) .
C17 H17 0.9500 .
C19 C22 1.528(8) .
C19 C21 1.534(8) .
C19 C20 1.539(7) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.537(8) .
C23 C25 1.537(9) .
C23 C26 1.541(8) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C29 C29 1.491(18) 2_765
C29 C30 1.555(14) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.28(2) .
C30 H30A 0.9842 .
C30 H30B 0.9884 .
C30 H30C 0.9719 .
C31 H30C 0.3216 .
C31 H31A 0.9778 .
C31 H31B 0.9775 .
C31 H31C 0.9747 .
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_1
C28 Ru1 Ru2 C27 8.4(2) .
N2 Ru1 Ru2 C27 -177.24(19) .
P5 Ru1 Ru2 C27 -132.14(18) .
O7 Ru1 Ru2 C27 -87.0(2) .
C28 Ru1 Ru2 O3 -176.29(19) .
N2 Ru1 Ru2 O3 -1.90(14) .
P5 Ru1 Ru2 O3 43.20(13) .
O7 Ru1 Ru2 O3 88.35(16) .
C28 Ru1 Ru2 N1 127.7(2) .
N2 Ru1 Ru2 N1 -58.0(2) .
P5 Ru1 Ru2 N1 -12.9(2) .
O7 Ru1 Ru2 N1 32.3(2) .
C28 Ru1 Ru2 O7 95.4(2) .
N2 Ru1 Ru2 O7 -90.25(16) .
P5 Ru1 Ru2 O7 -45.15(15) .
C28 Ru1 Ru2 P4 -89.67(17) .
N2 Ru1 Ru2 P4 84.71(12) .
P5 Ru1 Ru2 P4 129.81(9) .
O7 Ru1 Ru2 P4 174.96(13) .
C27 Ru2 P4 O1 115.9(2) .
O3 Ru2 P4 O1 -64.8(2) .
N1 Ru2 P4 O1 12.1(2) .
Ru1 Ru2 P4 O1 -146.73(17) .
C27 Ru2 P4 C10 -134.8(3) .
O3 Ru2 P4 C10 44.5(2) .
N1 Ru2 P4 C10 121.4(2) .
Ru1 Ru2 P4 C10 -37.4(2) .
C27 Ru2 P4 C6 8.4(3) .
O3 Ru2 P4 C6 -172.3(2) .
N1 Ru2 P4 C6 -95.4(2) .
Ru1 Ru2 P4 C6 105.77(19) .
C28 Ru1 P5 O4 152.9(2) .
N2 Ru1 P5 O4 -19.92(18) .
O7 Ru1 P5 O4 -101.25(17) .
Ru2 Ru1 P5 O4 -65.80(17) .
C28 Ru1 P5 C23 45.0(3) .
N2 Ru1 P5 C23 -127.8(3) .
O7 Ru1 P5 C23 150.8(2) .
Ru2 Ru1 P5 C23 -173.7(2) .
C28 Ru1 P5 C19 -97.2(2) .
N2 Ru1 P5 C19 89.9(2) .
O7 Ru1 P5 C19 8.6(2) .
Ru2 Ru1 P5 C19 44.0(2) .
C10 P4 O1 C1 -137.3(4) .
C6 P4 O1 C1 109.2(4) .
Ru2 P4 O1 C1 -14.1(4) .
N1 Ru2 O3 C14 157.0(4) .
O7 Ru2 O3 C14 59.9(4) .
P4 Ru2 O3 C14 -123.8(4) .
Ru1 Ru2 O3 C14 6.9(4) .
C23 P5 O4 C18 150.1(4) .
C19 P5 O4 C18 -96.6(4) .
Ru1 P5 O4 C18 24.1(4) .
C27 Ru2 O7 Ru1 93.99(18) .
O3 Ru2 O7 Ru1 -84.87(12) .
N1 Ru2 O7 Ru1 -161.63(12) .
C28 Ru1 O7 Ru2 -95.97(17) .
N2 Ru1 O7 Ru2 85.20(13) .
P5 Ru1 O7 Ru2 161.59(6) .
C27 Ru2 N1 C1 -103.8(4) .
O3 Ru2 N1 C1 82.9(3) .
O7 Ru2 N1 C1 165.5(3) .
P4 Ru2 N1 C1 -11.9(3) .
Ru1 Ru2 N1 C1 140.3(3) .
C27 Ru2 N1 C5 87.9(4) .
O3 Ru2 N1 C5 -85.4(4) .
O7 Ru2 N1 C5 -2.8(4) .
P4 Ru2 N1 C5 179.8(4) .
Ru1 Ru2 N1 C5 -28.1(5) .
C5 N1 C1 O1 175.5(4) .
Ru2 N1 C1 O1 6.6(6) .
C5 N1 C1 C2 -4.3(7) .
Ru2 N1 C1 C2 -173.1(4) .
P4 O1 C1 N1 6.2(6) .
P4 O1 C1 C2 -174.0(4) .
N1 C1 C2 C3 2.0(7) .
O1 C1 C2 C3 -177.7(5) .
C1 C2 C3 C4 1.0(8) .
C2 C3 C4 C5 -1.5(8) .
C1 N1 C5 O2 -177.4(4) .
Ru2 N1 C5 O2 -9.1(6) .
C1 N1 C5 C4 3.6(7) .
Ru2 N1 C5 C4 171.8(4) .
C3 C4 C5 O2 -179.8(5) .
C3 C4 C5 N1 -0.7(8) .
O1 P4 C6 C8 -177.7(3) .
C10 P4 C6 C8 77.9(4) .
Ru2 P4 C6 C8 -68.0(4) .
O1 P4 C6 C7 59.5(4) .
C10 P4 C6 C7 -45.0(4) .
Ru2 P4 C6 C7 169.1(3) .
O1 P4 C6 C9 -57.8(4) .
C10 P4 C6 C9 -162.2(3) .
Ru2 P4 C6 C9 51.8(4) .
O1 P4 C10 C13B 158.1(7) .
C6 P4 C10 C13B -98.6(8) .
Ru2 P4 C10 C13B 47.6(8) .
O1 P4 C10 C12B 36.7(6) .
C6 P4 C10 C12B 140.0(6) .
Ru2 P4 C10 C12B -73.8(6) .
O1 P4 C10 C12A -28.2(6) .
C6 P4 C10 C12A 75.1(6) .
Ru2 P4 C10 C12A -138.7(5) .
O1 P4 C10 C11B -81.5(6) .
C6 P4 C10 C11B 21.8(6) .
Ru2 P4 C10 C11B 168.0(6) .
O1 P4 C10 C13A -153.6(5) .
C6 P4 C10 C13A -50.3(6) .
Ru2 P4 C10 C13A 95.9(5) .
O1 P4 C10 C11A 90.5(5) .
C6 P4 C10 C11A -166.2(5) .
Ru2 P4 C10 C11A -20.0(5) .
P5 Ru1 N2 C18 18.5(3) .
O7 Ru1 N2 C18 131.5(4) .
Ru2 Ru1 N2 C18 -178.9(3) .
P5 Ru1 N2 C14 -164.0(4) .
O7 Ru1 N2 C14 -51.0(4) .
Ru2 Ru1 N2 C14 -1.4(4) .
Ru2 O3 C14 N2 -9.9(7) .
Ru2 O3 C14 C15 169.1(4) .
C18 N2 C14 O3 -176.0(4) .
Ru1 N2 C14 O3 6.5(7) .
C18 N2 C14 C15 4.9(7) .
Ru1 N2 C14 C15 -172.6(4) .
O3 C14 C15 C16 179.8(5) .
N2 C14 C15 C16 -1.1(8) .
C14 C15 C16 C17 -2.3(9) .
C15 C16 C17 C18 1.7(9) .
C14 N2 C18 O4 173.5(4) .
Ru1 N2 C18 O4 -8.8(6) .
C14 N2 C18 C17 -5.8(7) .
Ru1 N2 C18 C17 171.9(4) .
P5 O4 C18 N2 -11.9(6) .
P5 O4 C18 C17 167.5(4) .
C16 C17 C18 N2 2.4(8) .
C16 C17 C18 O4 -176.9(5) .
O4 P5 C19 C22 170.3(4) .
C23 P5 C19 C22 -86.6(4) .
Ru1 P5 C19 C22 59.8(4) .
O4 P5 C19 C21 -65.3(4) .
C23 P5 C19 C21 37.7(5) .
Ru1 P5 C19 C21 -175.8(3) .
O4 P5 C19 C20 55.0(4) .
C23 P5 C19 C20 158.0(4) .
Ru1 P5 C19 C20 -55.5(4) .
O4 P5 C23 C24 43.4(4) .
C19 P5 C23 C24 -62.1(5) .
Ru1 P5 C23 C24 153.9(3) .
O4 P5 C23 C25 166.8(4) .
C19 P5 C23 C25 61.3(5) .
Ru1 P5 C23 C25 -82.8(4) .
O4 P5 C23 C26 -74.9(5) .
C19 P5 C23 C26 179.6(4) .
Ru1 P5 C23 C26 35.5(5) .
C29 C29 C30 C31 -60.3(18) 2_765
