#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:45:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179261 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/81/4318164.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_4318164
loop_
_publ_author_name
'Guolin Xu'
'Charles Campana'
'Tong Ren'
_publ_contact_author_address
; Department of Chemistry
    University of Miami
    PO BOX 249118
    Coral Gables, FL 33124-0431
    USA
;
_publ_contact_author_email       tren@miami.edu
_publ_contact_author_fax         '(305) 284-1880'
_publ_contact_author_name        'Dr. Ren, Tong'
_publ_contact_author_phone       '(305) 284-6617'
_publ_section_title
;
 Tetrakis(N,N'-dimethylbenzamidinato)diruthenium(III) Compounds Bearing
 Axial Chloro and Alkynyl Ligands: A New Family of Redox Rich Diruthenium
 Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3521
_journal_page_last               3527
_journal_paper_doi               10.1021/ic0200794
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C44 H46 N8 Ru2'
_chemical_formula_weight         889.03
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.398(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5387(14)
_cell_length_b                   16.1767(19)
_cell_length_c                   21.032(3)
_cell_measurement_reflns_used    3501
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      27.67
_cell_measurement_theta_min      2.27
_cell_volume                     4265.9(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0643
_diffrn_reflns_av_sigmaI/netI    0.0837
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22245
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.747
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.915
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
    SADABS, Absorption corrections using Bruker CCD based on the method of
    Bob Blessing.  Acta Cryst. 1995, A51, 33
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.279
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         7505
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1068
_refine_ls_R_factor_gt           0.0479
_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)+(0.0260P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0835
_reflns_number_gt                4341
_reflns_number_total             7505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0200794_3.cif
_cod_data_source_block           um181s
_cod_database_code               4318164
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_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 0.42020(3) 0.90187(2) 0.216412(18) 0.05069(13) Uani 1 1 d . . .
Ru2 Ru 0.58693(3) 0.93286(2) 0.273553(18) 0.04970(13) Uani 1 1 d . . .
N1 N 0.6619(3) 0.8945(2) 0.19168(17) 0.0555(11) Uani 1 1 d . . .
N2 N 0.5074(3) 0.8325(2) 0.15508(18) 0.0575(11) Uani 1 1 d . . .
N3 N 0.5979(3) 0.8178(2) 0.30752(18) 0.0525(10) Uani 1 1 d . . .
N4 N 0.4220(3) 0.8023(2) 0.28097(18) 0.0521(10) Uani 1 1 d . . .
N5 N 0.4968(3) 0.9669(2) 0.34844(17) 0.0480(10) Uani 1 1 d . . .
N6 N 0.3485(3) 0.9737(2) 0.28386(17) 0.0490(10) Uani 1 1 d . . .
N7 N 0.5610(3) 1.0487(2) 0.23178(18) 0.0534(10) Uani 1 1 d . . .
N8 N 0.4349(3) 1.0006(3) 0.16052(18) 0.0621(12) Uani 1 1 d . . .
C1 C 0.7220(4) 0.9722(3) 0.3092(2) 0.0523(13) Uani 1 1 d . . .
C2 C 0.8056(4) 0.9938(3) 0.3322(3) 0.0634(15) Uani 1 1 d . . .
C3 C 0.9018(5) 1.0161(3) 0.3570(3) 0.0658(15) Uani 1 1 d . . .
C4 C 0.9843(6) 1.0364(5) 0.3790(4) 0.099(3) Uani 1 1 d . . .
C5 C 0.2839(4) 0.8636(3) 0.1824(2) 0.0565(14) Uani 1 1 d . . .
C6 C 0.1976(5) 0.8439(3) 0.1611(3) 0.0661(15) Uani 1 1 d . . .
C7 C 0.0989(5) 0.8231(3) 0.1372(3) 0.0813(19) Uani 1 1 d . . .
C8 C 0.0158(6) 0.8052(5) 0.1171(5) 0.127(4) Uani 1 1 d . . .
C11 C 0.6125(4) 0.8457(3) 0.1504(2) 0.0519(13) Uani 1 1 d . . .
C12 C 0.6754(4) 0.8030(3) 0.0994(2) 0.0534(13) Uani 1 1 d . . .
C13 C 0.7187(4) 0.7276(4) 0.1109(3) 0.0749(16) Uani 1 1 d . . .
H13A H 0.7076 0.7027 0.1501 0.090 Uiso 1 1 calc R . .
C14 C 0.7788(5) 0.6870(4) 0.0660(4) 0.091(2) Uani 1 1 d . . .
H14A H 0.8075 0.6350 0.0743 0.110 Uiso 1 1 calc R . .
C15 C 0.7948(5) 0.7251(5) 0.0095(3) 0.099(2) Uani 1 1 d . . .
H15A H 0.8363 0.6993 -0.0212 0.118 Uiso 1 1 calc R . .
C16 C 0.7518(6) 0.7996(5) -0.0030(3) 0.103(2) Uani 1 1 d . . .
H16A H 0.7637 0.8247 -0.0421 0.123 Uiso 1 1 calc R . .
C17 C 0.6899(5) 0.8390(4) 0.0420(3) 0.0832(19) Uani 1 1 d . . .
H17A H 0.6585 0.8898 0.0329 0.100 Uiso 1 1 calc R . .
C18 C 0.7706(5) 0.9200(4) 0.1778(3) 0.107(2) Uani 1 1 d . . .
H18A H 0.7923 0.8963 0.1381 0.160 Uiso 1 1 calc R . .
H18B H 0.8174 0.9013 0.2112 0.160 Uiso 1 1 calc R . .
H18C H 0.7737 0.9792 0.1751 0.160 Uiso 1 1 calc R . .
C19 C 0.4587(4) 0.7660(4) 0.1171(3) 0.098(2) Uani 1 1 d . . .
H19A H 0.5122 0.7405 0.0912 0.147 Uiso 1 1 calc R . .
H19B H 0.4037 0.7886 0.0903 0.147 Uiso 1 1 calc R . .
H19C H 0.4285 0.7254 0.1450 0.147 Uiso 1 1 calc R . .
C21 C 0.5089(4) 0.7733(3) 0.3087(2) 0.0470(12) Uani 1 1 d . . .
C22 C 0.5098(4) 0.6917(3) 0.3414(3) 0.0560(14) Uani 1 1 d . . .
C23 C 0.5208(5) 0.6862(4) 0.4060(3) 0.090(2) Uani 1 1 d . . .
H23A H 0.5282 0.7342 0.4299 0.108 Uiso 1 1 calc R . .
C24 C 0.5210(6) 0.6099(5) 0.4363(3) 0.125(3) Uani 1 1 d . . .
H24A H 0.5297 0.6065 0.4802 0.150 Uiso 1 1 calc R . .
C25 C 0.5082(7) 0.5400(5) 0.4009(5) 0.122(3) Uani 1 1 d . . .
H25A H 0.5068 0.4888 0.4210 0.147 Uiso 1 1 calc R . .
C26 C 0.4978(5) 0.5440(4) 0.3379(4) 0.100(2) Uani 1 1 d . . .
H26A H 0.4901 0.4956 0.3145 0.120 Uiso 1 1 calc R . .
C27 C 0.4983(4) 0.6197(3) 0.3068(3) 0.0777(17) Uani 1 1 d . . .
H27A H 0.4910 0.6218 0.2628 0.093 Uiso 1 1 calc R . .
C28 C 0.7006(4) 0.7801(3) 0.3240(3) 0.0824(18) Uani 1 1 d . . .
H28A H 0.6891 0.7248 0.3392 0.124 Uiso 1 1 calc R . .
H28B H 0.7349 0.8122 0.3567 0.124 Uiso 1 1 calc R . .
H28C H 0.7451 0.7786 0.2871 0.124 Uiso 1 1 calc R . .
C29 C 0.3193(4) 0.7625(3) 0.2972(3) 0.0814(17) Uani 1 1 d . . .
H29A H 0.3319 0.7185 0.3269 0.122 Uiso 1 1 calc R . .
H29B H 0.2868 0.7406 0.2593 0.122 Uiso 1 1 calc R . .
H29C H 0.2727 0.8026 0.3159 0.122 Uiso 1 1 calc R . .
C31 C 0.3952(4) 0.9872(3) 0.3400(2) 0.0454(12) Uani 1 1 d . . .
C32 C 0.3332(4) 1.0247(3) 0.3926(2) 0.0498(12) Uani 1 1 d . . .
C33 C 0.3449(5) 1.1063(4) 0.4082(3) 0.0856(19) Uani 1 1 d . . .
H33A H 0.3901 1.1397 0.3845 0.103 Uiso 1 1 calc R . .
C34 C 0.2896(6) 1.1395(4) 0.4590(3) 0.102(2) Uani 1 1 d . . .
H34A H 0.2957 1.1953 0.4689 0.123 Uiso 1 1 calc R . .
C35 C 0.2267(6) 1.0893(5) 0.4941(3) 0.095(2) Uani 1 1 d . . .
H35A H 0.1913 1.1111 0.5290 0.114 Uiso 1 1 calc R . .
C36 C 0.2140(5) 1.0084(5) 0.4798(3) 0.088(2) Uani 1 1 d . . .
H36A H 0.1704 0.9748 0.5043 0.106 Uiso 1 1 calc R . .
C37 C 0.2668(4) 0.9769(3) 0.4284(3) 0.0691(16) Uani 1 1 d . . .
H37A H 0.2573 0.9217 0.4177 0.083 Uiso 1 1 calc R . .
C38 C 0.5417(4) 0.9667(3) 0.4132(2) 0.0696(16) Uani 1 1 d . . .
H38A H 0.4883 0.9844 0.4426 0.104 Uiso 1 1 calc R . .
H38B H 0.6015 1.0038 0.4152 0.104 Uiso 1 1 calc R . .
H38C H 0.5648 0.9119 0.4239 0.104 Uiso 1 1 calc R . .
C39 C 0.2433(4) 1.0111(3) 0.2713(2) 0.0720(16) Uani 1 1 d . . .
H39A H 0.2216 1.0426 0.3077 0.108 Uiso 1 1 calc R . .
H39B H 0.1920 0.9682 0.2631 0.108 Uiso 1 1 calc R . .
H39C H 0.2477 1.0468 0.2350 0.108 Uiso 1 1 calc R . .
C41 C 0.5013(4) 1.0602(3) 0.1808(2) 0.0562(13) Uani 1 1 d . . .
C42 C 0.5057(5) 1.1410(4) 0.1454(3) 0.0713(16) Uani 1 1 d . . .
C43 C 0.4421(6) 1.2043(5) 0.1609(4) 0.140(3) Uani 1 1 d . . .
H43A H 0.3923 1.1973 0.1930 0.168 Uiso 1 1 calc R . .
C44 C 0.4487(7) 1.2806(6) 0.1300(6) 0.181(5) Uani 1 1 d . . .
H44A H 0.4086 1.3256 0.1436 0.218 Uiso 1 1 calc R . .
C45 C 0.5140(8) 1.2870(6) 0.0807(6) 0.155(5) Uani 1 1 d . . .
H45A H 0.5144 1.3359 0.0574 0.186 Uiso 1 1 calc R . .
C46 C 0.5799(8) 1.2251(6) 0.0633(4) 0.131(3) Uani 1 1 d . . .
H46A H 0.6277 1.2319 0.0301 0.158 Uiso 1 1 calc R . .
C47 C 0.5742(6) 1.1504(4) 0.0967(3) 0.105(2) Uani 1 1 d . . .
H47A H 0.6181 1.1067 0.0851 0.126 Uiso 1 1 calc R . .
C48 C 0.6174(5) 1.1211(3) 0.2582(3) 0.097(2) Uani 1 1 d . . .
H48A H 0.5980 1.1695 0.2344 0.145 Uiso 1 1 calc R . .
H48B H 0.6930 1.1125 0.2554 0.145 Uiso 1 1 calc R . .
H48C H 0.5979 1.1284 0.3019 0.145 Uiso 1 1 calc R . .
C49 C 0.3806(5) 1.0066(4) 0.0984(3) 0.118(3) Uani 1 1 d . . .
H49A H 0.3978 1.0585 0.0788 0.178 Uiso 1 1 calc R . .
H49B H 0.3048 1.0031 0.1043 0.178 Uiso 1 1 calc R . .
H49C H 0.4036 0.9622 0.0716 0.178 Uiso 1 1 calc R . .
H4 H 1.035(5) 1.043(4) 0.393(3) 0.11(3) Uiso 1 1 d . . .
H8 H -0.038(5) 0.791(4) 0.096(3) 0.12(3) 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'
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
C5 Ru1 N8 97.03(18) . . ?
C5 Ru1 N2 93.78(18) . . ?
N8 Ru1 N2 90.90(16) . . ?
C5 Ru1 N6 92.69(18) . . ?
N8 Ru1 N6 89.79(15) . . ?
N2 Ru1 N6 173.37(17) . . ?
C5 Ru1 N4 89.93(18) . . ?
N8 Ru1 N4 173.02(16) . . ?
N2 Ru1 N4 89.06(15) . . ?
N6 Ru1 N4 89.45(14) . . ?
C5 Ru1 Ru2 170.31(14) . . ?
N8 Ru1 Ru2 92.48(12) . . ?
N2 Ru1 Ru2 87.89(12) . . ?
N6 Ru1 Ru2 85.49(11) . . ?
N4 Ru1 Ru2 80.54(11) . . ?
C1 Ru2 N3 96.27(18) . . ?
C1 Ru2 N5 95.72(17) . . ?
N3 Ru2 N5 90.73(15) . . ?
C1 Ru2 N1 91.12(17) . . ?
N3 Ru2 N1 89.30(15) . . ?
N5 Ru2 N1 173.11(16) . . ?
C1 Ru2 N7 90.05(17) . . ?
N3 Ru2 N7 173.56(16) . . ?
N5 Ru2 N7 89.83(15) . . ?
N1 Ru2 N7 89.37(15) . . ?
C1 Ru2 Ru1 170.71(14) . . ?
N3 Ru2 Ru1 92.34(12) . . ?
N5 Ru2 Ru1 87.63(11) . . ?
N1 Ru2 Ru1 85.49(12) . . ?
N7 Ru2 Ru1 81.27(11) . . ?
C11 N1 C18 118.2(4) . . ?
C11 N1 Ru2 120.9(3) . . ?
C18 N1 Ru2 121.0(3) . . ?
C11 N2 C19 118.7(4) . . ?
C11 N2 Ru1 119.6(3) . . ?
C19 N2 Ru1 121.7(3) . . ?
C21 N3 C28 120.5(4) . . ?
C21 N3 Ru2 117.1(3) . . ?
C28 N3 Ru2 122.1(3) . . ?
C21 N4 C29 117.4(4) . . ?
C21 N4 Ru1 124.2(3) . . ?
C29 N4 Ru1 118.4(3) . . ?
C31 N5 C38 119.1(4) . . ?
C31 N5 Ru2 120.3(3) . . ?
C38 N5 Ru2 120.6(3) . . ?
C31 N6 C39 118.6(4) . . ?
C31 N6 Ru1 121.0(3) . . ?
C39 N6 Ru1 120.4(3) . . ?
C41 N7 C48 117.5(4) . . ?
C41 N7 Ru2 123.6(3) . . ?
C48 N7 Ru2 118.7(3) . . ?
C41 N8 C49 121.2(4) . . ?
C41 N8 Ru1 116.6(3) . . ?
C49 N8 Ru1 122.1(3) . . ?
C2 C1 Ru2 177.7(5) . . ?
C1 C2 C3 178.0(6) . . ?
C4 C3 C2 178.9(8) . . ?
C6 C5 Ru1 176.7(5) . . ?
C5 C6 C7 178.8(6) . . ?
C8 C7 C6 179.6(9) . . ?
N1 C11 N2 120.1(4) . . ?
N1 C11 C12 119.7(5) . . ?
N2 C11 C12 120.1(5) . . ?
C13 C12 C17 119.3(5) . . ?
C13 C12 C11 119.9(5) . . ?
C17 C12 C11 120.8(5) . . ?
C12 C13 C14 121.8(6) . . ?
C15 C14 C13 117.9(6) . . ?
C16 C15 C14 121.2(6) . . ?
C15 C16 C17 120.3(6) . . ?
C12 C17 C16 119.4(6) . . ?
N4 C21 N3 119.4(4) . . ?
N4 C21 C22 121.5(4) . . ?
N3 C21 C22 119.0(4) . . ?
C23 C22 C27 118.6(5) . . ?
C23 C22 C21 121.1(5) . . ?
C27 C22 C21 120.4(5) . . ?
C22 C23 C24 120.9(6) . . ?
C25 C24 C23 119.0(7) . . ?
C26 C25 C24 121.0(7) . . ?
C25 C26 C27 120.7(7) . . ?
C22 C27 C26 119.8(6) . . ?
N5 C31 N6 119.6(4) . . ?
N5 C31 C32 120.5(4) . . ?
N6 C31 C32 119.8(4) . . ?
C37 C32 C33 118.6(5) . . ?
C37 C32 C31 120.2(5) . . ?
C33 C32 C31 121.1(5) . . ?
C32 C33 C34 120.3(6) . . ?
C35 C34 C33 119.0(6) . . ?
C36 C35 C34 121.8(6) . . ?
C35 C36 C37 118.6(6) . . ?
C32 C37 C36 121.6(6) . . ?
N7 C41 N8 120.5(4) . . ?
N7 C41 C42 120.2(5) . . ?
N8 C41 C42 119.4(5) . . ?
C43 C42 C47 118.7(6) . . ?
C43 C42 C41 121.3(6) . . ?
C47 C42 C41 120.0(6) . . ?
C42 C43 C44 121.7(8) . . ?
C45 C44 C43 118.0(10) . . ?
C44 C45 C46 122.4(10) . . ?
C45 C46 C47 118.1(9) . . ?
C42 C47 C46 120.9(8) . . ?
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 C5 1.949(5) . ?
Ru1 N8 1.993(4) . ?
Ru1 N2 2.034(4) . ?
Ru1 N6 2.047(4) . ?
Ru1 N4 2.107(4) . ?
Ru1 Ru2 2.4559(6) . ?
Ru2 C1 1.954(5) . ?
Ru2 N3 1.998(4) . ?
Ru2 N5 2.021(3) . ?
Ru2 N1 2.063(4) . ?
Ru2 N7 2.093(4) . ?
N1 C11 1.325(6) . ?
N1 C18 1.455(6) . ?
N2 C11 1.338(6) . ?
N2 C19 1.472(6) . ?
N3 C21 1.328(5) . ?
N3 C28 1.465(6) . ?
N4 C21 1.318(5) . ?
N4 C29 1.481(5) . ?
N5 C31 1.327(5) . ?
N5 C38 1.469(5) . ?
N6 C31 1.332(5) . ?
N6 C39 1.473(5) . ?
N7 C41 1.316(6) . ?
N7 C48 1.475(6) . ?
N8 C41 1.341(6) . ?
N8 C49 1.472(6) . ?
C1 C2 1.203(6) . ?
C2 C3 1.361(7) . ?
C3 C4 1.178(9) . ?
C5 C6 1.212(6) . ?
C6 C7 1.373(7) . ?
C7 C8 1.159(9) . ?
C11 C12 1.503(6) . ?
C12 C13 1.355(6) . ?
C12 C17 1.355(6) . ?
C13 C14 1.379(7) . ?
C14 C15 1.355(8) . ?
C15 C16 1.346(8) . ?
C16 C17 1.384(7) . ?
C21 C22 1.489(6) . ?
C22 C23 1.367(7) . ?
C22 C27 1.380(6) . ?
C23 C24 1.390(8) . ?
C24 C25 1.363(9) . ?
C25 C26 1.331(9) . ?
C26 C27 1.388(7) . ?
C31 C32 1.487(6) . ?
C32 C37 1.366(6) . ?
C32 C33 1.367(6) . ?
C33 C34 1.386(7) . ?
C34 C35 1.355(8) . ?
C35 C36 1.352(8) . ?
C36 C37 1.369(7) . ?
C41 C42 1.506(7) . ?
C42 C43 1.340(8) . ?
C42 C47 1.350(7) . ?
C43 C44 1.398(9) . ?
C44 C45 1.330(11) . ?
C45 C46 1.350(11) . ?
C46 C47 1.400(9) . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 Ru1 Ru2 C1 -173.1(12) . . . . ?
N8 Ru1 Ru2 C1 -4.1(9) . . . . ?
N2 Ru1 Ru2 C1 86.8(8) . . . . ?
N6 Ru1 Ru2 C1 -93.6(8) . . . . ?
N4 Ru1 Ru2 C1 176.2(8) . . . . ?
C5 Ru1 Ru2 N3 28.9(8) . . . . ?
N8 Ru1 Ru2 N3 -162.05(16) . . . . ?
N2 Ru1 Ru2 N3 -71.23(15) . . . . ?
N6 Ru1 Ru2 N3 108.36(14) . . . . ?
N4 Ru1 Ru2 N3 18.16(14) . . . . ?
C5 Ru1 Ru2 N5 -61.8(8) . . . . ?
N8 Ru1 Ru2 N5 107.31(15) . . . . ?
N2 Ru1 Ru2 N5 -161.87(15) . . . . ?
N6 Ru1 Ru2 N5 17.72(14) . . . . ?
N4 Ru1 Ru2 N5 -72.47(14) . . . . ?
C5 Ru1 Ru2 N1 118.0(8) . . . . ?
N8 Ru1 Ru2 N1 -72.94(16) . . . . ?
N2 Ru1 Ru2 N1 17.87(15) . . . . ?
N6 Ru1 Ru2 N1 -162.53(14) . . . . ?
N4 Ru1 Ru2 N1 107.27(15) . . . . ?
C5 Ru1 Ru2 N7 -152.0(8) . . . . ?
N8 Ru1 Ru2 N7 17.12(16) . . . . ?
N2 Ru1 Ru2 N7 107.93(15) . . . . ?
N6 Ru1 Ru2 N7 -72.47(14) . . . . ?
N4 Ru1 Ru2 N7 -162.67(14) . . . . ?
C1 Ru2 N1 C11 166.9(4) . . . . ?
N3 Ru2 N1 C11 70.7(4) . . . . ?
N5 Ru2 N1 C11 -19.6(15) . . . . ?
N7 Ru2 N1 C11 -103.0(4) . . . . ?
Ru1 Ru2 N1 C11 -21.7(4) . . . . ?
C1 Ru2 N1 C18 -12.8(4) . . . . ?
N3 Ru2 N1 C18 -109.0(4) . . . . ?
N5 Ru2 N1 C18 160.7(11) . . . . ?
N7 Ru2 N1 C18 77.3(4) . . . . ?
Ru1 Ru2 N1 C18 158.5(4) . . . . ?
C5 Ru1 N2 C11 168.8(4) . . . . ?
N8 Ru1 N2 C11 71.7(4) . . . . ?
N6 Ru1 N2 C11 -24.3(15) . . . . ?
N4 Ru1 N2 C11 -101.3(4) . . . . ?
Ru2 Ru1 N2 C11 -20.8(4) . . . . ?
C5 Ru1 N2 C19 -13.4(4) . . . . ?
N8 Ru1 N2 C19 -110.5(4) . . . . ?
N6 Ru1 N2 C19 153.6(12) . . . . ?
N4 Ru1 N2 C19 76.5(4) . . . . ?
Ru2 Ru1 N2 C19 157.1(4) . . . . ?
C1 Ru2 N3 C21 162.9(3) . . . . ?
N5 Ru2 N3 C21 67.1(4) . . . . ?
N1 Ru2 N3 C21 -106.1(4) . . . . ?
N7 Ru2 N3 C21 -28.0(15) . . . . ?
Ru1 Ru2 N3 C21 -20.6(3) . . . . ?
C1 Ru2 N3 C28 -23.7(4) . . . . ?
N5 Ru2 N3 C28 -119.5(4) . . . . ?
N1 Ru2 N3 C28 67.4(4) . . . . ?
N7 Ru2 N3 C28 145.5(12) . . . . ?
Ru1 Ru2 N3 C28 152.9(4) . . . . ?
C5 Ru1 N4 C21 158.6(4) . . . . ?
N8 Ru1 N4 C21 -25.0(15) . . . . ?
N2 Ru1 N4 C21 64.8(4) . . . . ?
N6 Ru1 N4 C21 -108.7(4) . . . . ?
Ru2 Ru1 N4 C21 -23.2(4) . . . . ?
C5 Ru1 N4 C29 -22.3(4) . . . . ?
N8 Ru1 N4 C29 154.2(12) . . . . ?
N2 Ru1 N4 C29 -116.1(4) . . . . ?
N6 Ru1 N4 C29 70.4(4) . . . . ?
Ru2 Ru1 N4 C29 155.9(3) . . . . ?
C1 Ru2 N5 C31 150.8(3) . . . . ?
N3 Ru2 N5 C31 -112.8(3) . . . . ?
N1 Ru2 N5 C31 -22.6(14) . . . . ?
N7 Ru2 N5 C31 60.7(3) . . . . ?
Ru1 Ru2 N5 C31 -20.5(3) . . . . ?
C1 Ru2 N5 C38 -31.4(4) . . . . ?
N3 Ru2 N5 C38 64.9(4) . . . . ?
N1 Ru2 N5 C38 155.1(11) . . . . ?
N7 Ru2 N5 C38 -121.5(4) . . . . ?
Ru1 Ru2 N5 C38 157.2(3) . . . . ?
C5 Ru1 N6 C31 148.8(4) . . . . ?
N8 Ru1 N6 C31 -114.2(3) . . . . ?
N2 Ru1 N6 C31 -18.2(15) . . . . ?
N4 Ru1 N6 C31 58.9(3) . . . . ?
Ru2 Ru1 N6 C31 -21.7(3) . . . . ?
C5 Ru1 N6 C39 -30.7(4) . . . . ?
N8 Ru1 N6 C39 66.3(3) . . . . ?
N2 Ru1 N6 C39 162.3(12) . . . . ?
N4 Ru1 N6 C39 -120.6(3) . . . . ?
Ru2 Ru1 N6 C39 158.8(3) . . . . ?
C1 Ru2 N7 C41 154.7(4) . . . . ?
N3 Ru2 N7 C41 -14.5(15) . . . . ?
N5 Ru2 N7 C41 -109.6(4) . . . . ?
N1 Ru2 N7 C41 63.6(4) . . . . ?
Ru1 Ru2 N7 C41 -22.0(4) . . . . ?
C1 Ru2 N7 C48 -21.6(4) . . . . ?
N3 Ru2 N7 C48 169.2(12) . . . . ?
N5 Ru2 N7 C48 74.1(4) . . . . ?
N1 Ru2 N7 C48 -112.7(4) . . . . ?
Ru1 Ru2 N7 C48 161.8(4) . . . . ?
C5 Ru1 N8 C41 159.5(4) . . . . ?
N2 Ru1 N8 C41 -106.6(4) . . . . ?
N6 Ru1 N8 C41 66.8(4) . . . . ?
N4 Ru1 N8 C41 -16.9(15) . . . . ?
Ru2 Ru1 N8 C41 -18.7(4) . . . . ?
C5 Ru1 N8 C49 -23.8(5) . . . . ?
N2 Ru1 N8 C49 70.1(5) . . . . ?
N6 Ru1 N8 C49 -116.5(5) . . . . ?
N4 Ru1 N8 C49 159.8(11) . . . . ?
Ru2 Ru1 N8 C49 158.1(4) . . . . ?
N3 Ru2 C1 C2 -3(12) . . . . ?
N5 Ru2 C1 C2 88(12) . . . . ?
N1 Ru2 C1 C2 -93(12) . . . . ?
N7 Ru2 C1 C2 178(100) . . . . ?
Ru1 Ru2 C1 C2 -161(11) . . . . ?
Ru2 C1 C2 C3 63(26) . . . . ?
C1 C2 C3 C4 -177(100) . . . . ?
N8 Ru1 C5 C6 -40(9) . . . . ?
N2 Ru1 C5 C6 -131(9) . . . . ?
N6 Ru1 C5 C6 51(9) . . . . ?
N4 Ru1 C5 C6 140(9) . . . . ?
Ru2 Ru1 C5 C6 129(8) . . . . ?
Ru1 C5 C6 C7 -15(40) . . . . ?
C5 C6 C7 C8 -140(100) . . . . ?
C18 N1 C11 N2 -168.2(5) . . . . ?
Ru2 N1 C11 N2 12.1(6) . . . . ?
C18 N1 C11 C12 13.8(7) . . . . ?
Ru2 N1 C11 C12 -166.0(3) . . . . ?
C19 N2 C11 N1 -168.0(5) . . . . ?
Ru1 N2 C11 N1 9.9(6) . . . . ?
C19 N2 C11 C12 10.1(7) . . . . ?
Ru1 N2 C11 C12 -172.0(3) . . . . ?
N1 C11 C12 C13 89.1(6) . . . . ?
N2 C11 C12 C13 -89.0(6) . . . . ?
N1 C11 C12 C17 -90.7(6) . . . . ?
N2 C11 C12 C17 91.2(6) . . . . ?
C17 C12 C13 C14 1.1(9) . . . . ?
C11 C12 C13 C14 -178.7(5) . . . . ?
C12 C13 C14 C15 0.7(9) . . . . ?
C13 C14 C15 C16 -1.3(10) . . . . ?
C14 C15 C16 C17 0.0(11) . . . . ?
C13 C12 C17 C16 -2.3(9) . . . . ?
C11 C12 C17 C16 177.5(5) . . . . ?
C15 C16 C17 C12 1.8(10) . . . . ?
C29 N4 C21 N3 -164.5(4) . . . . ?
Ru1 N4 C21 N3 14.6(6) . . . . ?
C29 N4 C21 C22 15.6(7) . . . . ?
Ru1 N4 C21 C22 -165.3(3) . . . . ?
C28 N3 C21 N4 -165.4(4) . . . . ?
Ru2 N3 C21 N4 8.2(6) . . . . ?
C28 N3 C21 C22 14.5(7) . . . . ?
Ru2 N3 C21 C22 -171.9(3) . . . . ?
N4 C21 C22 C23 -111.7(6) . . . . ?
N3 C21 C22 C23 68.4(7) . . . . ?
N4 C21 C22 C27 67.6(6) . . . . ?
N3 C21 C22 C27 -112.3(6) . . . . ?
C27 C22 C23 C24 0.3(9) . . . . ?
C21 C22 C23 C24 179.6(6) . . . . ?
C22 C23 C24 C25 -1.1(11) . . . . ?
C23 C24 C25 C26 1.3(13) . . . . ?
C24 C25 C26 C27 -0.8(13) . . . . ?
C23 C22 C27 C26 0.2(8) . . . . ?
C21 C22 C27 C26 -179.1(5) . . . . ?
C25 C26 C27 C22 0.0(10) . . . . ?
C38 N5 C31 N6 -168.2(4) . . . . ?
Ru2 N5 C31 N6 9.6(6) . . . . ?
C38 N5 C31 C32 11.8(6) . . . . ?
Ru2 N5 C31 C32 -170.4(3) . . . . ?
C39 N6 C31 N5 -168.1(4) . . . . ?
Ru1 N6 C31 N5 12.4(6) . . . . ?
C39 N6 C31 C32 11.9(6) . . . . ?
Ru1 N6 C31 C32 -167.6(3) . . . . ?
N5 C31 C32 C37 -99.2(6) . . . . ?
N6 C31 C32 C37 80.8(6) . . . . ?
N5 C31 C32 C33 77.7(6) . . . . ?
N6 C31 C32 C33 -102.4(6) . . . . ?
C37 C32 C33 C34 -0.5(8) . . . . ?
C31 C32 C33 C34 -177.4(5) . . . . ?
C32 C33 C34 C35 2.1(10) . . . . ?
C33 C34 C35 C36 -1.9(10) . . . . ?
C34 C35 C36 C37 0.2(10) . . . . ?
C33 C32 C37 C36 -1.3(8) . . . . ?
C31 C32 C37 C36 175.6(5) . . . . ?
C35 C36 C37 C32 1.4(8) . . . . ?
C48 N7 C41 N8 -169.2(4) . . . . ?
Ru2 N7 C41 N8 14.5(7) . . . . ?
C48 N7 C41 C42 9.8(7) . . . . ?
Ru2 N7 C41 C42 -166.5(4) . . . . ?
C49 N8 C41 N7 -170.0(5) . . . . ?
Ru1 N8 C41 N7 6.8(6) . . . . ?
C49 N8 C41 C42 10.9(8) . . . . ?
Ru1 N8 C41 C42 -172.3(4) . . . . ?
N7 C41 C42 C43 -88.9(8) . . . . ?
N8 C41 C42 C43 90.2(7) . . . . ?
N7 C41 C42 C47 91.6(6) . . . . ?
N8 C41 C42 C47 -89.3(7) . . . . ?
C47 C42 C43 C44 -3.2(12) . . . . ?
C41 C42 C43 C44 177.3(7) . . . . ?
C42 C43 C44 C45 5.6(14) . . . . ?
C43 C44 C45 C46 -5.7(16) . . . . ?
C44 C45 C46 C47 3.5(16) . . . . ?
C43 C42 C47 C46 0.8(10) . . . . ?
C41 C42 C47 C46 -179.7(6) . . . . ?
C45 C46 C47 C42 -0.9(12) . . . . ?
