#------------------------------------------------------------------------------
#$Date: 2019-11-25 02:06:23 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239932 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/05/4350540.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_4350540
loop_
_publ_author_name
'Abrahamsson, Maria'
'Hammarström, Leif'
'Tocher, Derek A.'
'Nag, Samik'
'Datta, Dipankar'
_publ_section_title
;
 Modulation of the lowest metal-to-ligand charge-transfer state in
 [Ru(bpy)2(N-N)]2+ systems by changing the N-N from hydrazone to azine:
 photophysical consequences.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9580
_journal_page_last               9586
_journal_paper_doi               10.1021/ic061116k
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C24 H26 Cl2 N8 O8 Ru'
_chemical_formula_weight         726.50
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 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                 102.6750(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   52.613(3)
_cell_length_b                   10.3927(7)
_cell_length_c                   15.8084(10)
_cell_measurement_temperature    150(2)
_cell_volume                     8433.2(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0473
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       68
_diffrn_reflns_limit_h_min       -69
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36062
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  0.9529
_exptl_absorpt_correction_T_min  0.7478
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4416
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.838
_refine_diff_density_rms
;0.106 

#===END

data_2

_audit_creation_method            SHELXL-97
_chemical_name_systematic ? 
_chemica 

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 N7 2.030(3) . ?
Ru1 N5 2.039(3) . ?
Ru1 N1 2.047(3) . ?
Ru1 N4 2.053(3) . ?
Ru1 N3 2.062(3) . ?
Ru1 N2 2.066(3) . ?
N1 C5 1.353(4) . ?
N1 C1 1.351(4) . ?
N2 C6 1.350(4) . ?
N2 C10 1.354(4) . ?
N3 C11 1.344(4) . ?
N3 C15 1.352(4) . ?
N4 C20 1.348(4) . ?
N4 C16 1.354(4) . ?
N5 C24 1.288(4) . ?
N5 N6 1.407(4) . ?
N6 C21 1.273(4) . ?
N7 C26 1.291(4) . ?
N7 N8 1.405(4) . ?
N8 C28 1.276(5) . ?
C1 C2 1.377(5) . ?
C2 C3 1.393(5) . ?
C3 C4 1.369(5) . ?
C4 C5 1.374(5) . ?
C5 C6 1.469(5) . ?
C6 C7 1.388(5) . ?
C7 C8 1.391(6) . ?
C8 C9 1.375(6) . ?
C9 C10 1.372(5) . ?
C11 C12 1.385(5) . ?
C12 C13 1.379(5) . ?
C13 C14 1.385(5) . ?
C14 C15 1.386(5) . ?
C15 C16 1.474(5) . ?
C16 C17 1.386(5) . ?
C17 C18 1.386(5) . ?
C18 C19 1.374(5) . ?
C19 C20 1.387(5) . ?
C21 C23 1.492(5) . ?
C21 C22 1.504(5) . ?
C24 C26 1.471(5) . ?
C24 C25 1.491(5) . ?
C26 C27 1.486(5) . ?
C28 C30 1.494(5) . ?
C28 C29 1.494(5) . ?
B1 F3 1.320(6) . ?
B1 F4 1.358(5) . ?
B1 F2 1.363(6) . ?
B1 F1 1.382(6) . ?
B2 F6 1.357(6) . ?
B2 F7 1.361(6) . ?
B2 F5 1.387(6) . ?
B2 F8 1.401(7) . ?

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
N7 Ru1 N5 75.59(12) . . ?
N7 Ru1 N1 88.35(11) . . ?
N5 Ru1 N1 96.44(11) . . ?
N7 Ru1 N4 96.64(11) . . ?
N5 Ru1 N4 88.32(11) . . ?
N1 Ru1 N4 173.84(11) . . ?
N7 Ru1 N3 169.95(11) . . ?
N5 Ru1 N3 95.37(11) . . ?
N1 Ru1 N3 97.16(11) . . ?
N4 Ru1 N3 78.45(11) . . ?
N7 Ru1 N2 94.50(11) . . ?
N5 Ru1 N2 169.01(11) . . ?
N1 Ru1 N2 78.27(11) . . ?
N4 Ru1 N2 97.69(11) . . ?
N3 Ru1 N2 94.85(11) . . ?
C5 N1 C1 118.6(3) . . ?
C5 N1 Ru1 116.8(2) . . ?
C1 N1 Ru1 124.5(2) . . ?
C6 N2 C10 118.6(3) . . ?
C6 N2 Ru1 115.4(2) . . ?
C10 N2 Ru1 125.3(2) . . ?
C11 N3 C15 118.3(3) . . ?
C11 N3 Ru1 125.9(2) . . ?
C15 N3 Ru1 115.2(2) . . ?
C20 N4 C16 119.2(3) . . ?
C20 N4 Ru1 125.0(2) . . ?
C16 N4 Ru1 115.8(2) . . ?
C24 N5 N6 120.1(3) . . ?
C24 N5 Ru1 118.7(2) . . ?
N6 N5 Ru1 120.5(2) . . ?
C21 N6 N5 117.4(3) . . ?
C26 N7 N8 122.1(3) . . ?
C26 N7 Ru1 118.9(2) . . ?
N8 N7 Ru1 118.5(2) . . ?
C28 N8 N7 117.9(3) . . ?
N1 C1 C2 121.8(3) . . ?
C1 C2 C3 119.2(3) . . ?
C4 C3 C2 118.7(3) . . ?
C3 C4 C5 120.0(4) . . ?
N1 C5 C4 121.7(3) . . ?
N1 C5 C6 114.0(3) . . ?
C4 C5 C6 124.3(3) . . ?
N2 C6 C7 121.5(3) . . ?
N2 C6 C5 115.2(3) . . ?
C7 C6 C5 123.1(3) . . ?
C6 C7 C8 119.4(4) . . ?
C9 C8 C7 118.5(3) . . ?
C10 C9 C8 120.0(4) . . ?
N2 C10 C9 122.0(3) . . ?
N3 C11 C12 122.3(3) . . ?
C13 C12 C11 119.5(3) . . ?
C12 C13 C14 118.5(3) . . ?
C13 C14 C15 119.5(3) . . ?
N3 C15 C14 121.8(3) . . ?
N3 C15 C16 114.5(3) . . ?
C14 C15 C16 123.7(3) . . ?
N4 C16 C17 121.1(3) . . ?
N4 C16 C15 114.6(3) . . ?
C17 C16 C15 124.2(3) . . ?
C18 C17 C16 119.3(3) . . ?
C19 C18 C17 119.6(3) . . ?
C18 C19 C20 118.9(3) . . ?
N4 C20 C19 122.0(3) . . ?
N6 C21 C23 117.1(3) . . ?
N6 C21 C22 126.7(3) . . ?
C23 C21 C22 116.2(3) . . ?
N5 C24 C26 113.3(3) . . ?
N5 C24 C25 125.7(3) . . ?
C26 C24 C25 121.0(3) . . ?
N7 C26 C24 113.4(3) . . ?
N7 C26 C27 125.2(3) . . ?
C24 C26 C27 121.4(3) . . ?
N8 C28 C30 126.9(3) . . ?
N8 C28 C29 116.5(4) . . ?
C30 C28 C29 116.5(3) . . ?
F3 B1 F4 112.8(4) . . ?
F3 B1 F2 107.6(5) . . ?
F4 B1 F2 108.2(5) . . ?
F3 B1 F1 113.1(5) . . ?
F4 B1 F1 110.7(4) . . ?
F2 B1 F1 103.8(4) . . ?
F6 B2 F7 111.0(5) . . ?
F6 B2 F5 109.9(4) . . ?
F7 B2 F5 109.7(4) . . ?
F6 B2 F8 108.9(4) . . ?
F7 B2 F8 109.2(4) . . ?
F5 B2 F8 108.1(4) . . ?

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
N7 Ru1 N1 C5 -92.1(2) . . . . ?
N5 Ru1 N1 C5 -167.4(2) . . . . ?
N4 Ru1 N1 C5 52.2(11) . . . . ?
N3 Ru1 N1 C5 96.4(2) . . . . ?
N2 Ru1 N1 C5 2.9(2) . . . . ?
N7 Ru1 N1 C1 83.1(3) . . . . ?
N5 Ru1 N1 C1 7.8(3) . . . . ?
N4 Ru1 N1 C1 -132.6(9) . . . . ?
N3 Ru1 N1 C1 -88.5(3) . . . . ?
N2 Ru1 N1 C1 178.0(3) . . . . ?
N7 Ru1 N2 C6 82.2(2) . . . . ?
N5 Ru1 N2 C6 56.9(7) . . . . ?
N1 Ru1 N2 C6 -5.1(2) . . . . ?
N4 Ru1 N2 C6 179.6(2) . . . . ?
N3 Ru1 N2 C6 -101.5(2) . . . . ?
N7 Ru1 N2 C10 -87.8(3) . . . . ?
N5 Ru1 N2 C10 -113.1(6) . . . . ?
N1 Ru1 N2 C10 -175.2(3) . . . . ?
N4 Ru1 N2 C10 9.6(3) . . . . ?
N3 Ru1 N2 C10 88.5(3) . . . . ?
N7 Ru1 N3 C11 -120.6(6) . . . . ?
N5 Ru1 N3 C11 -95.0(3) . . . . ?
N1 Ru1 N3 C11 2.2(3) . . . . ?
N4 Ru1 N3 C11 177.9(3) . . . . ?
N2 Ru1 N3 C11 81.0(3) . . . . ?
N7 Ru1 N3 C15 50.2(7) . . . . ?
N5 Ru1 N3 C15 75.9(2) . . . . ?
N1 Ru1 N3 C15 173.1(2) . . . . ?
N4 Ru1 N3 C15 -11.3(2) . . . . ?
N2 Ru1 N3 C15 -108.2(2) . . . . ?
N7 Ru1 N4 C20 13.0(3) . . . . ?
N5 Ru1 N4 C20 88.3(3) . . . . ?
N1 Ru1 N4 C20 -131.0(9) . . . . ?
N3 Ru1 N4 C20 -175.9(3) . . . . ?
N2 Ru1 N4 C20 -82.5(3) . . . . ?
N7 Ru1 N4 C16 -163.5(2) . . . . ?
N5 Ru1 N4 C16 -88.2(2) . . . . ?
N1 Ru1 N4 C16 52.5(11) . . . . ?
N3 Ru1 N4 C16 7.7(2) . . . . ?
N2 Ru1 N4 C16 101.1(2) . . . . ?
N7 Ru1 N5 C24 -1.9(2) . . . . ?
N1 Ru1 N5 C24 84.7(3) . . . . ?
N4 Ru1 N5 C24 -99.2(3) . . . . ?
N3 Ru1 N5 C24 -177.4(2) . . . . ?
N2 Ru1 N5 C24 24.2(7) . . . . ?
N7 Ru1 N5 N6 -172.7(2) . . . . ?
N1 Ru1 N5 N6 -86.1(2) . . . . ?
N4 Ru1 N5 N6 90.0(2) . . . . ?
N3 Ru1 N5 N6 11.7(2) . . . . ?
N2 Ru1 N5 N6 -146.6(5) . . . . ?
C24 N5 N6 C21 82.9(4) . . . . ?
Ru1 N5 N6 C21 -106.3(3) . . . . ?
N5 Ru1 N7 C26 -0.5(2) . . . . ?
N1 Ru1 N7 C26 -97.6(3) . . . . ?
N4 Ru1 N7 C26 86.0(3) . . . . ?
N3 Ru1 N7 C26 25.9(7) . . . . ?
N2 Ru1 N7 C26 -175.7(2) . . . . ?
N5 Ru1 N7 N8 -172.5(2) . . . . ?
N1 Ru1 N7 N8 90.4(2) . . . . ?
N4 Ru1 N7 N8 -86.0(2) . . . . ?
N3 Ru1 N7 N8 -146.1(5) . . . . ?
N2 Ru1 N7 N8 12.3(2) . . . . ?
C26 N7 N8 C28 82.4(4) . . . . ?
Ru1 N7 N8 C28 -105.9(3) . . . . ?
C5 N1 C1 C2 0.6(5) . . . . ?
Ru1 N1 C1 C2 -174.5(3) . . . . ?
N1 C1 C2 C3 -2.0(6) . . . . ?
C1 C2 C3 C4 1.2(6) . . . . ?
C2 C3 C4 C5 0.9(6) . . . . ?
C1 N1 C5 C4 1.6(5) . . . . ?
Ru1 N1 C5 C4 177.1(3) . . . . ?
C1 N1 C5 C6 -175.8(3) . . . . ?
Ru1 N1 C5 C6 -0.4(4) . . . . ?
C3 C4 C5 N1 -2.4(5) . . . . ?
C3 C4 C5 C6 174.8(3) . . . . ?
C10 N2 C6 C7 1.7(5) . . . . ?
Ru1 N2 C6 C7 -169.0(3) . . . . ?
C10 N2 C6 C5 177.2(3) . . . . ?
Ru1 N2 C6 C5 6.5(4) . . . . ?
N1 C5 C6 N2 -4.0(4) . . . . ?
C4 C5 C6 N2 178.6(3) . . . . ?
N1 C5 C6 C7 171.4(3) . . . . ?
C4 C5 C6 C7 -6.0(5) . . . . ?
N2 C6 C7 C8 -1.0(6) . . . . ?
C5 C6 C7 C8 -176.1(3) . . . . ?
C6 C7 C8 C9 0.7(6) . . . . ?
C7 C8 C9 C10 -1.2(6) . . . . ?
C6 N2 C10 C9 -2.2(5) . . . . ?
Ru1 N2 C10 C9 167.5(3) . . . . ?
C8 C9 C10 N2 2.0(6) . . . . ?
C15 N3 C11 C12 -3.4(5) . . . . ?
Ru1 N3 C11 C12 167.2(3) . . . . ?
N3 C11 C12 C13 -0.4(5) . . . . ?
C11 C12 C13 C14 2.3(5) . . . . ?
C12 C13 C14 C15 -0.5(5) . . . . ?
C11 N3 C15 C14 5.3(5) . . . . ?
Ru1 N3 C15 C14 -166.3(3) . . . . ?
C11 N3 C15 C16 -175.5(3) . . . . ?
Ru1 N3 C15 C16 13.0(3) . . . . ?
C13 C14 C15 N3 -3.4(5) . . . . ?
C13 C14 C15 C16 177.5(3) . . . . ?
C20 N4 C16 C17 0.2(5) . . . . ?
Ru1 N4 C16 C17 176.8(3) . . . . ?
C20 N4 C16 C15 -179.8(3) . . . . ?
Ru1 N4 C16 C15 -3.2(4) . . . . ?
N3 C15 C16 N4 -6.5(4) . . . . ?
C14 C15 C16 N4 172.7(3) . . . . ?
N3 C15 C16 C17 173.5(3) . . . . ?
C14 C15 C16 C17 -7.3(5) . . . . ?
N4 C16 C17 C18 0.7(5) . . . . ?
C15 C16 C17 C18 -179.2(3) . . . . ?
C16 C17 C18 C19 -1.4(6) . . . . ?
C17 C18 C19 C20 1.1(6) . . . . ?
C16 N4 C20 C19 -0.5(5) . . . . ?
Ru1 N4 C20 C19 -176.8(3) . . . . ?
C18 C19 C20 N4 -0.2(6) . . . . ?
N5 N6 C21 C23 177.4(3) . . . . ?
N5 N6 C21 C22 -3.6(5) . . . . ?
N6 N5 C24 C26 174.6(3) . . . . ?
Ru1 N5 C24 C26 3.7(4) . . . . ?
N6 N5 C24 C25 -6.0(5) . . . . ?
Ru1 N5 C24 C25 -176.9(3) . . . . ?
N8 N7 C26 C24 174.2(3) . . . . ?
Ru1 N7 C26 C24 2.5(4) . . . . ?
N8 N7 C26 C27 -6.6(5) . . . . ?
Ru1 N7 C26 C27 -178.3(3) . . . . ?
N5 C24 C26 N7 -4.0(4) . . . . ?
C25 C24 C26 N7 176.6(3) . . . . ?
N5 C24 C26 C27 176.8(3) . . . . ?
C25 C24 C26 C27 -2.6(5) . . . . ?
N7 N8 C28 C30 -6.9(5) . . . . ?
N7 N8 C28 C29 173.0(3) . . . . ?

_diffrn_measured_fraction_theta_max    0.961
_diffrn_reflns_theta_full              26.00
_diffrn_measured_fraction_theta_full   0.996
_refine_diff_density_max    2.664
_refine_diff_density_min   -0.910
_refine_diff_density_rms    0.131

;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         10073
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0509
_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)+(0.0524P)²+27.5724P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                7849
_reflns_number_total             10073
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic061116ksi20060620_100023.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4350540
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Ru1 Ru 0.165681(5) 0.40230(3) 0.128095(18) 0.02076(8) Uani 1 1 d .
N1 N 0.19462(6) 0.4281(3) 0.23792(19) 0.0243(6) Uani 1 1 d .
N2 N 0.14999(6) 0.5502(3) 0.1890(2) 0.0259(7) Uani 1 1 d .
N3 N 0.17982(6) 0.5433(3) 0.05857(19) 0.0248(6) Uani 1 1 d .
N4 N 0.13673(6) 0.4099(3) 0.01755(19) 0.0228(6) Uani 1 1 d .
N5 N 0.13254(6) 0.2700(3) 0.2333(2) 0.0292(7) Uani 1 1 d .
H5AN H 0.1270 0.2039 0.2589 0.035 Uiso 1 1 calc R
H5BN H 0.1267 0.3478 0.2401 0.035 Uiso 1 1 calc R
N6 N 0.15053(6) 0.2516(3) 0.18228(18) 0.0234(6) Uani 1 1 d .
N7 N 0.18267(6) 0.2458(3) 0.08648(19) 0.0246(6) Uani 1 1 d .
N8 N 0.19845(6) 0.2569(3) 0.0275(2) 0.0325(7) Uani 1 1 d .
H8AN H 0.2050 0.1875 0.0085 0.039 Uiso 1 1 calc R
H8BN H 0.2020 0.3333 0.0090 0.039 Uiso 1 1 calc R
C1 C 0.21697(7) 0.3620(4) 0.2577(2) 0.0309(8) Uani 1 1 d .
H1A H 0.2190 0.2890 0.2237 0.037 Uiso 1 1 calc R
C2 C 0.23712(8) 0.3961(5) 0.3258(3) 0.0390(10) Uani 1 1 d .
H2A H 0.2529 0.3482 0.3378 0.047 Uiso 1 1 calc R
C3 C 0.23401(9) 0.5000(5) 0.3759(3) 0.0422(11) Uani 1 1 d .
H3A H 0.2476 0.5255 0.4229 0.051 Uiso 1 1 calc R
C4 C 0.21099(8) 0.5667(4) 0.3573(3) 0.0375(10) Uani 1 1 d .
H4A H 0.2085 0.6383 0.3921 0.045 Uiso 1 1 calc R
C5 C 0.19121(8) 0.5301(4) 0.2879(2) 0.0291(8) Uani 1 1 d .
C6 C 0.16584(7) 0.5942(4) 0.2634(2) 0.0273(8) Uani 1 1 d .
C7 C 0.15810(8) 0.6917(4) 0.3120(3) 0.0337(9) Uani 1 1 d .
H7A H 0.1694 0.7211 0.3637 0.040 Uiso 1 1 calc R
C8 C 0.13362(9) 0.7457(4) 0.2844(3) 0.0386(10) Uani 1 1 d .
H8A H 0.1278 0.8120 0.3171 0.046 Uiso 1 1 calc R
C9 C 0.11785(9) 0.7019(4) 0.2090(3) 0.0388(10) Uani 1 1 d .
H9A H 0.1011 0.7385 0.1888 0.047 Uiso 1 1 calc R
C10 C 0.12636(8) 0.6044(4) 0.1625(3) 0.0325(9) Uani 1 1 d .
H10A H 0.1152 0.5749 0.1104 0.039 Uiso 1 1 calc R
C11 C 0.20354(7) 0.5978(4) 0.0779(2) 0.0288(8) Uani 1 1 d .
H11A H 0.2157 0.5700 0.1283 0.035 Uiso 1 1 calc R
C12 C 0.21095(8) 0.6924(4) 0.0274(3) 0.0329(9) Uani 1 1 d .
H12A H 0.2281 0.7263 0.0417 0.040 Uiso 1 1 calc R
C13 C 0.19327(8) 0.7375(4) -0.0442(3) 0.0346(9) Uani 1 1 d .
H13A H 0.1979 0.8047 -0.0787 0.042 Uiso 1 1 calc R
C14 C 0.16887(8) 0.6831(4) -0.0645(3) 0.0321(9) Uani 1 1 d .
H14A H 0.1564 0.7127 -0.1135 0.039 Uiso 1 1 calc R
C15 C 0.16256(7) 0.5848(3) -0.0134(2) 0.0241(7) Uani 1 1 d .
C16 C 0.13799(7) 0.5123(3) -0.0349(2) 0.0245(7) Uani 1 1 d .
C17 C 0.11763(7) 0.5397(4) -0.1045(3) 0.0302(8) Uani 1 1 d .
H17A H 0.1183 0.6141 -0.1388 0.036 Uiso 1 1 calc R
C18 C 0.09640(8) 0.4589(4) -0.1238(3) 0.0362(9) Uani 1 1 d .
H18A H 0.0823 0.4768 -0.1712 0.043 Uiso 1 1 calc R
C19 C 0.09604(8) 0.3516(4) -0.0730(3) 0.0339(9) Uani 1 1 d .
H19A H 0.0819 0.2926 -0.0865 0.041 Uiso 1 1 calc R
C20 C 0.11613(7) 0.3302(4) -0.0030(2) 0.0288(8) Uani 1 1 d .
H20A H 0.1155 0.2567 0.0322 0.035 Uiso 1 1 calc R
C21 C 0.18821(9) 0.0099(4) 0.0900(3) 0.0364(9) Uani 1 1 d .
H21A H 0.1999 0.0271 0.0510 0.055 Uiso 1 1 calc R
H21B H 0.1739 -0.0457 0.0607 0.055 Uiso 1 1 calc R
H21C H 0.1979 -0.0330 0.1425 0.055 Uiso 1 1 calc R
C22 C 0.17738(7) 0.1335(4) 0.1142(2) 0.0251(8) Uani 1 1 d .
C23 C 0.15930(7) 0.1376(3) 0.1718(2) 0.0244(7) Uani 1 1 d .
C24 C 0.15109(8) 0.0180(4) 0.2110(3) 0.0350(9) Uani 1 1 d .
H24A H 0.1389 0.0402 0.2475 0.053 Uiso 1 1 calc R
H24B H 0.1664 -0.0244 0.2463 0.053 Uiso 1 1 calc R
H24C H 0.1425 -0.0404 0.1648 0.053 Uiso 1 1 calc R
Ru2 Ru 0.0000 -0.04400(4) 0.2500 0.02167(10) Uani 1 2 d S
N9 N 0.01868(5) 0.1011(3) 0.32882(18) 0.0224(6) Uani 1 1 d .
N10 N 0.03357(6) -0.0273(3) 0.2052(2) 0.0254(7) Uani 1 1 d .
N11 N 0.02707(7) -0.1815(4) 0.4123(2) 0.0393(8) Uani 1 1 d .
H1AN H 0.0311 -0.2495 0.4458 0.047 Uiso 1 1 calc R
H1CN H 0.0313 -0.1041 0.4333 0.047 Uiso 1 1 calc R
N12 N 0.01406(6) -0.1967(3) 0.3257(2) 0.0295(7) Uani 1 1 d .
C25 C 0.01048(8) 0.1600(4) 0.3943(2) 0.0310(8) Uani 1 1 d .
H25A H -0.0051 0.1310 0.4090 0.037 Uiso 1 1 calc R
C26 C 0.02395(8) 0.2607(4) 0.4403(2) 0.0342(9) Uani 1 1 d .
H26A H 0.0176 0.3008 0.4856 0.041 Uiso 1 1 calc R
C27 C 0.04678(8) 0.3027(4) 0.4199(3) 0.0365(9) Uani 1 1 d .
H27A H 0.0565 0.3705 0.4520 0.044 Uiso 1 1 calc R
C28 C 0.05519(8) 0.2454(4) 0.3530(3) 0.0323(9) Uani 1 1 d .
H28A H 0.0708 0.2737 0.3377 0.039 Uiso 1 1 calc R
C29 C 0.04073(7) 0.1457(3) 0.3078(2) 0.0260(8) Uani 1 1 d .
C30 C 0.04851(7) 0.0766(3) 0.2360(2) 0.0244(7) Uani 1 1 d .
C31 C 0.06915(8) 0.1124(4) 0.1997(3) 0.0329(9) Uani 1 1 d .
H31A H 0.0791 0.1868 0.2201 0.039 Uiso 1 1 calc R
C32 C 0.07524(8) 0.0395(4) 0.1336(3) 0.0374(10) Uani 1 1 d .
H32A H 0.0890 0.0646 0.1072 0.045 Uiso 1 1 calc R
C33 C 0.06112(8) -0.0691(4) 0.1070(3) 0.0376(10) Uani 1 1 d .
H33A H 0.0654 -0.1227 0.0636 0.045 Uiso 1 1 calc R
C34 C 0.04056(8) -0.0995(4) 0.1440(3) 0.0359(9) Uani 1 1 d .
H34A H 0.0309 -0.1754 0.1253 0.043 Uiso 1 1 calc R
C35 C 0.00775(7) -0.3107(4) 0.2939(3) 0.0325(9) Uani 1 1 d .
C36 C 0.01583(9) -0.4320(4) 0.3435(4) 0.0492(12) Uani 1 1 d .
H36A H 0.0090 -0.5063 0.3073 0.074 Uiso 1 1 calc R
H36B H 0.0089 -0.4326 0.3961 0.074 Uiso 1 1 calc R
H36C H 0.0349 -0.4366 0.3594 0.074 Uiso 1 1 calc R
Cl1 Cl 0.22675(2) 0.94337(9) 0.35726(6) 0.0341(2) Uani 1 1 d .
O1 O 0.20975(12) 0.9642(4) 0.4116(4) 0.123(2) Uani 1 1 d .
O2 O 0.23396(7) 1.0615(3) 0.3241(3) 0.0611(10) Uani 1 1 d .
O3 O 0.24909(8) 0.8759(4) 0.4020(3) 0.0786(13) Uani 1 1 d .
O4 O 0.21436(9) 0.8637(4) 0.2873(3) 0.0839(14) Uani 1 1 d .
Cl2 Cl 0.11022(2) 0.04323(10) 0.44245(6) 0.0355(2) Uani 1 1 d .
O5 O 0.08597(6) -0.0265(3) 0.4266(2) 0.0519(8) Uani 1 1 d .
O6 O 0.11319(7) 0.1057(4) 0.3659(2) 0.0646(11) Uani 1 1 d .
O7 O 0.13119(8) -0.0425(4) 0.4701(4) 0.0986(17) Uani 1 1 d .
O8 O 0.10984(9) 0.1384(5) 0.5061(3) 0.0873(15) Uani 1 1 d .
Cl3 Cl 0.05612(2) 0.45025(10) 0.12766(7) 0.0359(2) Uani 1 1 d .
O9 O 0.08131(7) 0.4126(4) 0.1726(4) 0.0857(15) Uani 1 1 d .
O10 O 0.05347(9) 0.5837(4) 0.1262(3) 0.0948(16) Uani 1 1 d .
O11 O 0.03904(10) 0.3940(6) 0.1714(5) 0.141(3) Uani 1 1 d .
O12 O 0.05017(16) 0.4041(6) 0.0446(3) 0.161(3) 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'
Cl Cl 0.1484 0.1585 '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
N6 Ru1 N7 76.15(12) . .
N6 Ru1 N4 95.86(11) . .
N7 Ru1 N4 92.98(11) . .
N6 Ru1 N1 91.77(11) . .
N7 Ru1 N1 94.63(12) . .
N4 Ru1 N1 170.32(12) . .
N6 Ru1 N3 172.87(12) . .
N7 Ru1 N3 99.21(12) . .
N4 Ru1 N3 78.84(12) . .
N1 Ru1 N3 94.02(12) . .
N6 Ru1 N2 98.20(11) . .
N7 Ru1 N2 171.43(12) . .
N4 Ru1 N2 94.01(12) . .
N1 Ru1 N2 78.96(12) . .
N3 Ru1 N2 87.00(11) . .
C1 N1 C5 119.1(3) . .
C1 N1 Ru1 125.4(3) . .
C5 N1 Ru1 115.1(2) . .
C10 N2 C6 118.5(3) . .
C10 N2 Ru1 126.8(3) . .
C6 N2 Ru1 114.7(2) . .
C11 N3 C15 118.2(3) . .
C11 N3 Ru1 127.1(3) . .
C15 N3 Ru1 114.7(2) . .
C20 N4 C16 118.6(3) . .
C20 N4 Ru1 126.1(2) . .
C16 N4 Ru1 115.0(2) . .
C23 N6 N5 120.6(3) . .
C23 N6 Ru1 117.9(2) . .
N5 N6 Ru1 121.4(2) . .
C22 N7 N8 120.5(3) . .
C22 N7 Ru1 117.9(2) . .
N8 N7 Ru1 121.5(2) . .
N1 C1 C2 122.4(4) . .
C3 C2 C1 118.9(4) . .
C2 C3 C4 119.2(4) . .
C3 C4 C5 120.3(4) . .
N1 C5 C4 120.1(4) . .
N1 C5 C6 115.4(3) . .
C4 C5 C6 124.4(4) . .
N2 C6 C7 121.7(4) . .
N2 C6 C5 115.1(3) . .
C7 C6 C5 123.1(4) . .
C8 C7 C6 119.2(4) . .
C9 C8 C7 118.9(4) . .
C8 C9 C10 120.0(4) . .
N2 C10 C9 121.7(4) . .
N3 C11 C12 122.5(4) . .
C11 C12 C13 119.5(4) . .
C14 C13 C12 118.6(4) . .
C13 C14 C15 119.8(4) . .
N3 C15 C14 121.3(3) . .
N3 C15 C16 115.0(3) . .
C14 C15 C16 123.6(3) . .
N4 C16 C17 120.8(3) . .
N4 C16 C15 114.7(3) . .
C17 C16 C15 124.5(3) . .
C18 C17 C16 119.9(4) . .
C19 C18 C17 118.6(4) . .
C20 C19 C18 119.7(4) . .
N4 C20 C19 122.2(4) . .
N7 C22 C23 113.8(3) . .
N7 C22 C21 124.5(3) . .
C23 C22 C21 121.7(3) . .
N6 C23 C22 114.0(3) . .
N6 C23 C24 124.4(3) . .
C22 C23 C24 121.6(3) . .
N12 Ru2 N12 76.96(19) 2 .
N12 Ru2 N10 92.30(12) 2 2
N12 Ru2 N10 95.31(12) . 2
N12 Ru2 N10 95.31(12) 2 .
N12 Ru2 N10 92.30(12) . .
N10 Ru2 N10 170.27(17) 2 .
N12 Ru2 N9 173.06(12) 2 .
N12 Ru2 N9 98.74(12) . .
N10 Ru2 N9 93.54(12) 2 .
N10 Ru2 N9 79.30(12) . .
N12 Ru2 N9 98.74(12) 2 2
N12 Ru2 N9 173.06(12) . 2
N10 Ru2 N9 79.30(12) 2 2
N10 Ru2 N9 93.54(12) . 2
N9 Ru2 N9 86.04(16) . 2
C25 N9 C29 117.8(3) . .
C25 N9 Ru2 127.1(3) . .
C29 N9 Ru2 114.9(2) . .
C34 N10 C30 118.4(3) . .
C34 N10 Ru2 126.6(3) . .
C30 N10 Ru2 114.7(2) . .
C35 N12 N11 120.6(3) . .
C35 N12 Ru2 117.1(3) . .
N11 N12 Ru2 121.8(3) . .
N9 C25 C26 122.3(4) . .
C25 C26 C27 119.3(4) . .
C28 C27 C26 119.2(4) . .
C27 C28 C29 119.3(4) . .
N9 C29 C28 122.1(3) . .
N9 C29 C30 114.8(3) . .
C28 C29 C30 123.1(3) . .
N10 C30 C31 120.5(3) . .
N10 C30 C29 115.2(3) . .
C31 C30 C29 124.3(3) . .
C32 C31 C30 119.9(4) . .
C33 C32 C31 119.0(4) . .
C32 C33 C34 119.0(4) . .
N10 C34 C33 123.0(4) . .
N12 C35 C35 114.4(2) . 2
N12 C35 C36 123.1(4) . .
C35 C35 C36 122.5(3) 2 .
O1 Cl1 O3 110.2(3) . .
O1 Cl1 O2 110.8(2) . .
O3 Cl1 O2 110.6(2) . .
O1 Cl1 O4 109.0(4) . .
O3 Cl1 O4 106.8(3) . .
O2 Cl1 O4 109.3(2) . .
O7 Cl2 O6 109.2(3) . .
O7 Cl2 O8 110.7(3) . .
O6 Cl2 O8 108.0(3) . .
O7 Cl2 O5 109.8(2) . .
O6 Cl2 O5 110.0(2) . .
O8 Cl2 O5 109.0(2) . .
O12 Cl3 O11 107.2(5) . .
O12 Cl3 O10 109.4(4) . .
O11 Cl3 O10 110.9(3) . .
O12 Cl3 O9 112.1(4) . .
O11 Cl3 O9 105.8(3) . .
O10 Cl3 O9 111.3(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N6 2.030(3) .
Ru1 N7 2.034(3) .
Ru1 N4 2.052(3) .
Ru1 N1 2.060(3) .
Ru1 N3 2.066(3) .
Ru1 N2 2.078(3) .
N1 C1 1.338(5) .
N1 C5 1.358(5) .
N2 C10 1.345(5) .
N2 C6 1.363(5) .
N3 C11 1.343(5) .
N3 C15 1.360(5) .
N4 C20 1.345(5) .
N4 C16 1.360(4) .
N5 N6 1.385(4) .
N6 C23 1.295(5) .
N7 C22 1.298(5) .
N7 N8 1.382(4) .
C1 C2 1.382(6) .
C2 C3 1.370(6) .
C3 C4 1.370(6) .
C4 C5 1.389(6) .
C5 C6 1.466(5) .
C6 C7 1.386(5) .
C7 C8 1.384(6) .
C8 C9 1.372(6) .
C9 C10 1.383(6) .
C11 C12 1.375(5) .
C12 C13 1.380(6) .
C13 C14 1.375(6) .
C14 C15 1.387(5) .
C15 C16 1.471(5) .
C16 C17 1.386(5) .
C17 C18 1.377(6) .
C18 C19 1.376(6) .
C19 C20 1.371(5) .
C21 C22 1.488(5) .
C22 C23 1.455(5) .
C23 C24 1.495(5) .
Ru2 N12 2.027(3) 2
Ru2 N12 2.027(3) .
Ru2 N10 2.050(3) 2
Ru2 N10 2.050(3) .
Ru2 N9 2.063(3) .
Ru2 N9 2.063(3) 2
N9 C25 1.352(5) .
N9 C29 1.356(5) .
N10 C34 1.338(5) .
N10 C30 1.361(5) .
N11 N12 1.398(5) .
N12 C35 1.301(5) .
C25 C26 1.379(5) .
C26 C27 1.381(6) .
C27 C28 1.369(6) .
C28 C29 1.387(5) .
C29 C30 1.475(5) .
C30 C31 1.386(5) .
C31 C32 1.383(6) .
C32 C33 1.365(6) .
C33 C34 1.375(5) .
C35 C35 1.448(8) 2
C35 C36 1.496(6) .
Cl1 O1 1.387(4) .
Cl1 O3 1.417(4) .
Cl1 O2 1.418(3) .
Cl1 O4 1.421(4) .
Cl2 O7 1.411(4) .
Cl2 O6 1.412(3) .
Cl2 O8 1.414(4) .
Cl2 O5 1.441(3) .
Cl3 O12 1.368(5) .
Cl3 O11 1.379(4) .
Cl3 O10 1.393(4) .
Cl3 O9 1.415(4) .
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_4
N6 Ru1 N1 C1 82.5(3) . .
N7 Ru1 N1 C1 6.2(3) . .
N4 Ru1 N1 C1 -135.5(6) . .
N3 Ru1 N1 C1 -93.3(3) . .
N2 Ru1 N1 C1 -179.5(3) . .
N6 Ru1 N1 C5 -104.7(2) . .
N7 Ru1 N1 C5 179.1(2) . .
N4 Ru1 N1 C5 37.4(8) . .
N3 Ru1 N1 C5 79.5(2) . .
N2 Ru1 N1 C5 -6.7(2) . .
N6 Ru1 N2 C10 -86.2(3) . .
N7 Ru1 N2 C10 -134.4(7) . .
N4 Ru1 N2 C10 10.3(3) . .
N1 Ru1 N2 C10 -176.4(3) . .
N3 Ru1 N2 C10 88.9(3) . .
N6 Ru1 N2 C6 93.7(2) . .
N7 Ru1 N2 C6 45.5(9) . .
N4 Ru1 N2 C6 -169.8(2) . .
N1 Ru1 N2 C6 3.5(2) . .
N3 Ru1 N2 C6 -91.2(2) . .
N6 Ru1 N3 C11 -128.8(9) . .
N7 Ru1 N3 C11 -79.9(3) . .
N4 Ru1 N3 C11 -171.1(3) . .
N1 Ru1 N3 C11 15.5(3) . .
N2 Ru1 N3 C11 94.2(3) . .
N6 Ru1 N3 C15 52.5(10) . .
N7 Ru1 N3 C15 101.4(2) . .
N4 Ru1 N3 C15 10.1(2) . .
N1 Ru1 N3 C15 -163.3(2) . .
N2 Ru1 N3 C15 -84.6(2) . .
N6 Ru1 N4 C20 -1.7(3) . .
N7 Ru1 N4 C20 74.7(3) . .
N1 Ru1 N4 C20 -143.5(6) . .
N3 Ru1 N4 C20 173.5(3) . .
N2 Ru1 N4 C20 -100.4(3) . .
N6 Ru1 N4 C16 172.7(2) . .
N7 Ru1 N4 C16 -110.9(2) . .
N1 Ru1 N4 C16 30.9(8) . .
N3 Ru1 N4 C16 -12.1(2) . .
N2 Ru1 N4 C16 74.0(2) . .
N7 Ru1 N6 C23 4.7(3) . .
N4 Ru1 N6 C23 96.3(3) . .
N1 Ru1 N6 C23 -89.6(3) . .
N3 Ru1 N6 C23 54.7(10) . .
N2 Ru1 N6 C23 -168.7(3) . .
N7 Ru1 N6 N5 -179.1(3) . .
N4 Ru1 N6 N5 -87.5(3) . .
N1 Ru1 N6 N5 86.5(3) . .
N3 Ru1 N6 N5 -129.1(9) . .
N2 Ru1 N6 N5 7.4(3) . .
N6 Ru1 N7 C22 -2.7(3) . .
N4 Ru1 N7 C22 -98.0(3) . .
N1 Ru1 N7 C22 88.0(3) . .
N3 Ru1 N7 C22 -177.2(3) . .
N2 Ru1 N7 C22 46.7(9) . .
N6 Ru1 N7 N8 174.4(3) . .
N4 Ru1 N7 N8 79.1(3) . .
N1 Ru1 N7 N8 -94.9(3) . .
N3 Ru1 N7 N8 -0.1(3) . .
N2 Ru1 N7 N8 -136.2(7) . .
C5 N1 C1 C2 -2.0(5) . .
Ru1 N1 C1 C2 170.5(3) . .
N1 C1 C2 C3 1.1(6) . .
C1 C2 C3 C4 0.3(6) . .
C2 C3 C4 C5 -0.8(6) . .
C1 N1 C5 C4 1.6(5) . .
Ru1 N1 C5 C4 -171.8(3) . .
C1 N1 C5 C6 -178.0(3) . .
Ru1 N1 C5 C6 8.7(4) . .
C3 C4 C5 N1 -0.2(6) . .
C3 C4 C5 C6 179.3(4) . .
C10 N2 C6 C7 0.6(5) . .
Ru1 N2 C6 C7 -179.3(3) . .
C10 N2 C6 C5 179.9(3) . .
Ru1 N2 C6 C5 0.0(4) . .
N1 C5 C6 N2 -5.7(5) . .
C4 C5 C6 N2 174.7(3) . .
N1 C5 C6 C7 173.6(3) . .
C4 C5 C6 C7 -6.0(6) . .
N2 C6 C7 C8 0.1(5) . .
C5 C6 C7 C8 -179.2(3) . .
C6 C7 C8 C9 -0.7(6) . .
C7 C8 C9 C10 0.7(6) . .
C6 N2 C10 C9 -0.5(5) . .
Ru1 N2 C10 C9 179.3(3) . .
C8 C9 C10 N2 -0.1(6) . .
C15 N3 C11 C12 -0.6(5) . .
Ru1 N3 C11 C12 -179.3(3) . .
N3 C11 C12 C13 2.5(6) . .
C11 C12 C13 C14 -2.1(6) . .
C12 C13 C14 C15 -0.1(6) . .
C11 N3 C15 C14 -1.7(5) . .
Ru1 N3 C15 C14 177.2(3) . .
C11 N3 C15 C16 174.4(3) . .
Ru1 N3 C15 C16 -6.8(4) . .
C13 C14 C15 N3 2.0(6) . .
C13 C14 C15 C16 -173.6(3) . .
C20 N4 C16 C17 4.6(5) . .
Ru1 N4 C16 C17 -170.2(3) . .
C20 N4 C16 C15 -173.1(3) . .
Ru1 N4 C16 C15 12.1(4) . .
N3 C15 C16 N4 -3.5(4) . .
C14 C15 C16 N4 172.5(3) . .
N3 C15 C16 C17 178.9(3) . .
C14 C15 C16 C17 -5.1(6) . .
N4 C16 C17 C18 -3.4(6) . .
C15 C16 C17 C18 174.1(4) . .
C16 C17 C18 C19 -0.3(6) . .
C17 C18 C19 C20 2.5(6) . .
C16 N4 C20 C19 -2.4(5) . .
Ru1 N4 C20 C19 171.8(3) . .
C18 C19 C20 N4 -1.2(6) . .
N8 N7 C22 C23 -176.5(3) . .
Ru1 N7 C22 C23 0.6(4) . .
N8 N7 C22 C21 3.0(6) . .
Ru1 N7 C22 C21 -179.9(3) . .
N5 N6 C23 C22 178.0(3) . .
Ru1 N6 C23 C22 -5.7(4) . .
N5 N6 C23 C24 0.7(5) . .
Ru1 N6 C23 C24 177.0(3) . .
N7 C22 C23 N6 3.3(5) . .
C21 C22 C23 N6 -176.2(3) . .
N7 C22 C23 C24 -179.3(3) . .
C21 C22 C23 C24 1.2(6) . .
N12 Ru2 N9 C25 -137.4(10) 2 .
N12 Ru2 N9 C25 -86.2(3) . .
N10 Ru2 N9 C25 9.8(3) 2 .
N10 Ru2 N9 C25 -176.9(3) . .
N9 Ru2 N9 C25 88.8(3) 2 .
N12 Ru2 N9 C29 46.9(11) 2 .
N12 Ru2 N9 C29 98.2(2) . .
N10 Ru2 N9 C29 -165.9(2) 2 .
N10 Ru2 N9 C29 7.5(2) . .
N9 Ru2 N9 C29 -86.9(2) 2 .
N12 Ru2 N10 C34 1.4(3) 2 .
N12 Ru2 N10 C34 78.5(3) . .
N10 Ru2 N10 C34 -139.9(3) 2 .
N9 Ru2 N10 C34 177.0(3) . .
N9 Ru2 N10 C34 -97.7(3) 2 .
N12 Ru2 N10 C30 174.6(3) 2 .
N12 Ru2 N10 C30 -108.3(3) . .
N10 Ru2 N10 C30 33.2(2) 2 .
N9 Ru2 N10 C30 -9.8(2) . .
N9 Ru2 N10 C30 75.5(3) 2 .
N12 Ru2 N12 C35 -1.0(2) 2 .
N10 Ru2 N12 C35 90.2(3) 2 .
N10 Ru2 N12 C35 -95.9(3) . .
N9 Ru2 N12 C35 -175.4(3) . .
N9 Ru2 N12 C35 51.4(11) 2 .
N12 Ru2 N12 N11 -172.8(3) 2 .
N10 Ru2 N12 N11 -81.7(3) 2 .
N10 Ru2 N12 N11 92.3(3) . .
N9 Ru2 N12 N11 12.8(3) . .
N9 Ru2 N12 N11 -120.5(10) 2 .
C29 N9 C25 C26 -1.2(5) . .
Ru2 N9 C25 C26 -176.8(3) . .
N9 C25 C26 C27 -0.7(6) . .
C25 C26 C27 C28 1.6(6) . .
C26 C27 C28 C29 -0.7(6) . .
C25 N9 C29 C28 2.2(5) . .
Ru2 N9 C29 C28 178.3(3) . .
C25 N9 C29 C30 179.8(3) . .
Ru2 N9 C29 C30 -4.1(4) . .
C27 C28 C29 N9 -1.3(6) . .
C27 C28 C29 C30 -178.7(4) . .
C34 N10 C30 C31 5.3(5) . .
Ru2 N10 C30 C31 -168.4(3) . .
C34 N10 C30 C29 -175.6(3) . .
Ru2 N10 C30 C29 10.6(4) . .
N9 C29 C30 N10 -4.3(5) . .
C28 C29 C30 N10 173.3(3) . .
N9 C29 C30 C31 174.7(3) . .
C28 C29 C30 C31 -7.7(6) . .
N10 C30 C31 C32 -2.3(6) . .
C29 C30 C31 C32 178.7(4) . .
C30 C31 C32 C33 -1.8(6) . .
C31 C32 C33 C34 2.8(7) . .
C30 N10 C34 C33 -4.3(6) . .
Ru2 N10 C34 C33 168.6(3) . .
C32 C33 C34 N10 0.2(7) . .
N11 N12 C35 C35 174.5(4) . 2
Ru2 N12 C35 C35 2.5(5) . 2
N11 N12 C35 C36 -5.7(6) . .
Ru2 N12 C35 C36 -177.6(3) . .
