#------------------------------------------------------------------------------
#$Date: 2019-11-25 00:36:44 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/02/4350200.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_4350200
loop_
_publ_author_name
'Barral, M. Carmen'
'Gallo, Teresa'
'Herrero, Santiago'
'Jiménez-Aparicio, Reyes'
'Torres, M. Rosario'
'Urbanos, Francisco A.'
_publ_section_title
;
 Equatorially connected diruthenium(II,III) units toward paramagnetic
 supramolecular structures with singular magnetic properties.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3639
_journal_page_last               3647
_journal_paper_doi               10.1021/ic052174t
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C42 H37 Cl N6 O5.5 Ru2'
_chemical_formula_weight         951.37
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                94.827(2)
_cell_angle_beta                 115.420(2)
_cell_angle_gamma                114.495(2)
_cell_formula_units_Z            2
_cell_length_a                   13.3142(17)
_cell_length_b                   14.4645(19)
_cell_length_c                   14.967(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2245.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.1012
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11755
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'red dark'
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.962
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       0.0012(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.463
_refine_ls_shift/su_mean         0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0948P)²+1.4899P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1671
_refine_ls_wR_factor_ref         0.1923
_reflns_number_gt                4642
_reflns_number_total             7781
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic052174tsi20051222_024516.cif
_cod_data_source_block           '[Ru2Cl(DPhF)3(H2O)]2(O2C)2.THF.4H2O'
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C42 H37 Cl N6 O5.50 Ru2'
_cod_database_code               4350200
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
Ru1 Ru 0.50977(6) 0.66593(5) 0.33127(5) 0.0261(2) Uani 1 1 d .
Ru2 Ru 0.64712(6) 0.77464(5) 0.50698(5) 0.0260(2) Uani 1 1 d .
Cl1 Cl 0.3674(2) 0.53838(19) 0.15362(17) 0.0438(6) Uani 1 1 d .
N1 N 0.3581(6) 0.6726(5) 0.3358(5) 0.0335(17) Uani 1 1 d .
N2 N 0.5004(7) 0.7939(5) 0.5029(6) 0.0344(17) Uani 1 1 d .
N3 N 0.5598(6) 0.8011(5) 0.2879(5) 0.0353(17) Uani 1 1 d .
N4 N 0.7091(6) 0.9061(5) 0.4602(5) 0.0343(17) Uani 1 1 d .
N5 N 0.6629(6) 0.6548(6) 0.3368(5) 0.0339(17) Uani 1 1 d .
N6 N 0.7883(6) 0.7442(5) 0.5146(5) 0.0320(16) Uani 1 1 d .
O1 O 0.4703(5) 0.5335(4) 0.3848(4) 0.0343(14) Uani 1 1 d .
O2 O 0.5828(5) 0.6393(4) 0.5517(4) 0.0344(14) Uani 1 1 d .
O3 O 0.7581(8) 0.8600(8) 0.6924(6) 0.093(3) Uani 1 1 d .
C1 C 0.5148(8) 0.5488(6) 0.4811(7) 0.0312(19) Uani 1 1 d .
C2 C 0.3850(8) 0.7355(7) 0.4201(7) 0.037(2) Uani 1 1 d .
H2A H 0.3178 0.7395 0.4217 0.045 Uiso 1 1 calc R
C3 C 0.6508(9) 0.8940(7) 0.3609(7) 0.039(2) Uani 1 1 d .
H3B H 0.6749 0.9546 0.3402 0.047 Uiso 1 1 calc R
C4 C 0.7672(8) 0.6886(7) 0.4258(7) 0.036(2) Uani 1 1 d .
H4A H 0.8298 0.6738 0.4283 0.043 Uiso 1 1 calc R
C5 C 0.2254(8) 0.6156(8) 0.2553(7) 0.040(2) Uani 1 1 d .
C6 C 0.1580(10) 0.5043(9) 0.2140(9) 0.065(3) Uani 1 1 d .
H6A H 0.1992 0.4658 0.2393 0.078 Uiso 1 1 calc R
C7 C 0.0325(12) 0.4516(11) 0.1371(13) 0.106(6) Uani 1 1 d .
H7A H -0.0100 0.3777 0.1072 0.127 Uiso 1 1 calc R
C8 C -0.0332(11) 0.5067(13) 0.1025(11) 0.099(5) Uani 1 1 d .
H8A H -0.1207 0.4694 0.0533 0.119 Uiso 1 1 calc R
C9 C 0.0311(10) 0.6158(11) 0.1409(9) 0.074(4) Uani 1 1 d .
H9A H -0.0116 0.6536 0.1172 0.089 Uiso 1 1 calc R
C10 C 0.1625(9) 0.6706(9) 0.2166(8) 0.058(3) Uani 1 1 d .
H10A H 0.2075 0.7451 0.2409 0.069 Uiso 1 1 calc R
C11 C 0.5080(9) 0.8479(7) 0.5925(7) 0.040(2) Uani 1 1 d .
C12 C 0.4432(11) 0.7930(9) 0.6385(9) 0.065(3) Uani 1 1 d .
H12A H 0.3939 0.7187 0.6117 0.078 Uiso 1 1 calc R
C13 C 0.4494(14) 0.8452(10) 0.7230(9) 0.077(4) Uani 1 1 d .
H13A H 0.4043 0.8056 0.7523 0.092 Uiso 1 1 calc R
C14 C 0.5184(12) 0.9509(11) 0.7637(9) 0.072(3) Uani 1 1 d .
H14A H 0.5242 0.9849 0.8227 0.086 Uiso 1 1 calc R
C15 C 0.5795(12) 1.0082(9) 0.7198(10) 0.078(4) Uani 1 1 d .
H15A H 0.6248 1.0827 0.7458 0.094 Uiso 1 1 calc R
C16 C 0.5749(10) 0.9557(8) 0.6346(9) 0.067(3) Uani 1 1 d .
H16A H 0.6198 0.9964 0.6056 0.080 Uiso 1 1 calc R
C17 C 0.5141(8) 0.8070(7) 0.1839(6) 0.033(2) Uani 1 1 d .
C18 C 0.6013(9) 0.8592(7) 0.1536(7) 0.043(2) Uani 1 1 d .
H18A H 0.6885 0.8852 0.1983 0.051 Uiso 1 1 calc R
C19 C 0.5572(10) 0.8724(9) 0.0552(8) 0.058(3) Uani 1 1 d .
H19A H 0.6157 0.9101 0.0353 0.070 Uiso 1 1 calc R
C20 C 0.4250(11) 0.8291(8) -0.0140(8) 0.056(3) Uani 1 1 d .
H20A H 0.3961 0.8371 -0.0799 0.067 Uiso 1 1 calc R
C21 C 0.3385(9) 0.7748(8) 0.0154(7) 0.047(2) Uani 1 1 d .
H21A H 0.2509 0.7465 -0.0299 0.056 Uiso 1 1 calc R
C22 C 0.3838(9) 0.7626(7) 0.1148(7) 0.040(2) Uani 1 1 d .
H22A H 0.3255 0.7242 0.1345 0.048 Uiso 1 1 calc R
C23 C 0.8047(8) 1.0114(6) 0.5300(7) 0.035(2) Uani 1 1 d .
C24 C 0.7826(9) 1.0984(7) 0.5208(7) 0.042(2) Uani 1 1 d .
H24A H 0.7032 1.0869 0.4703 0.050 Uiso 1 1 calc R
C25 C 0.8793(9) 1.2004(8) 0.5870(8) 0.050(3) Uani 1 1 d .
H25A H 0.8636 1.2571 0.5805 0.061 Uiso 1 1 calc R
C26 C 0.9984(10) 1.2208(8) 0.6624(8) 0.055(3) Uani 1 1 d .
H26A H 1.0626 1.2901 0.7064 0.066 Uiso 1 1 calc R
C27 C 1.0198(10) 1.1357(8) 0.6710(8) 0.063(3) Uani 1 1 d .
H27A H 1.0996 1.1479 0.7214 0.075 Uiso 1 1 calc R
C28 C 0.9251(9) 1.0331(8) 0.6063(8) 0.056(3) Uani 1 1 d .
H28A H 0.9422 0.9772 0.6138 0.067 Uiso 1 1 calc R
C29 C 0.6551(8) 0.5895(7) 0.2547(7) 0.037(2) Uani 1 1 d .
C30 C 0.6514(8) 0.6194(8) 0.1696(7) 0.045(2) Uani 1 1 d .
H30A H 0.6499 0.6824 0.1637 0.054 Uiso 1 1 calc R
C31 C 0.6499(9) 0.5590(9) 0.0925(8) 0.057(3) Uani 1 1 d .
H31A H 0.6485 0.5819 0.0360 0.068 Uiso 1 1 calc R
C32 C 0.6503(12) 0.4657(11) 0.0986(8) 0.077(4) Uani 1 1 d .
H32A H 0.6489 0.4243 0.0467 0.093 Uiso 1 1 calc R
C33 C 0.6529(16) 0.4342(12) 0.1832(10) 0.102(5) Uani 1 1 d .
H33A H 0.6560 0.3719 0.1898 0.122 Uiso 1 1 calc R
C34 C 0.6509(13) 0.4941(10) 0.2584(9) 0.074(4) Uani 1 1 d .
H34A H 0.6465 0.4691 0.3126 0.089 Uiso 1 1 calc R
C35 C 0.9090(8) 0.7790(7) 0.6087(7) 0.035(2) Uani 1 1 d .
C36 C 1.0226(9) 0.8257(8) 0.6094(8) 0.048(3) Uani 1 1 d .
H36A H 1.0230 0.8347 0.5487 0.058 Uiso 1 1 calc R
C37 C 1.1371(9) 0.8595(8) 0.7016(9) 0.058(3) Uani 1 1 d .
H37A H 1.2148 0.8928 0.7034 0.069 Uiso 1 1 calc R
C38 C 1.1351(11) 0.8439(11) 0.7879(10) 0.089(5) Uani 1 1 d .
H38A H 1.2123 0.8666 0.8491 0.106 Uiso 1 1 calc R
C39 C 1.0241(11) 0.7961(12) 0.7885(9) 0.097(5) Uani 1 1 d .
H39A H 1.0251 0.7868 0.8496 0.117 Uiso 1 1 calc R
C40 C 0.9089(10) 0.7611(9) 0.6970(8) 0.061(3) Uani 1 1 d .
H40A H 0.8316 0.7256 0.6956 0.073 Uiso 1 1 calc R
O4 O -0.024(2) 0.0312(13) 0.8623(13) 0.107(8) Uani 0.50 1 d P
C41 C 0.188(3) 0.171(2) 0.992(2) 0.100(10) Uani 0.50 1 d P
H41A H 0.2424 0.1702 1.0602 0.120 Uiso 0.50 1 calc PR
H41B H 0.2417 0.2203 0.9700 0.120 Uiso 0.50 1 calc PR
C42 C 0.102(2) 0.199(2) 0.993(2) 0.094(10) Uani 0.50 1 d P
H42A H 0.1223 0.2688 0.9844 0.112 Uiso 0.50 1 calc PR
H42B H 0.1042 0.2013 1.0590 0.112 Uiso 0.50 1 calc PR
C43 C 0.108(3) 0.071(3) 0.920(3) 0.122(14) Uani 0.50 1 d P
H43A H 0.1371 0.0684 0.8708 0.146 Uiso 0.50 1 calc PR
H43B H 0.1216 0.0207 0.9567 0.146 Uiso 0.50 1 calc PR
C44 C -0.034(3) 0.112(3) 0.901(2) 0.124(13) Uani 0.50 1 d P
H44A H -0.0937 0.0860 0.9262 0.149 Uiso 0.50 1 calc PR
H44B H -0.0656 0.1424 0.8476 0.149 Uiso 0.50 1 calc PR
O5 O 0.3299(13) 0.3177(10) 1.2256(10) 0.159(5) Uani 1 1 d .
O6 O 0.093(3) 0.541(4) 0.486(4) 0.199(16) Uani 0.50 1 d P
O7 O -0.057(4) 0.443(3) 0.433(2) 0.180(13) Uani 0.50 1 d P
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_3
N3 Ru1 N5 91.3(3) .
N3 Ru1 N1 92.4(3) .
N5 Ru1 N1 175.5(3) .
N3 Ru1 O1 176.2(2) .
N5 Ru1 O1 87.0(2) .
N1 Ru1 O1 89.2(2) .
N3 Ru1 Ru2 89.06(19) .
N5 Ru1 Ru2 88.31(19) .
N1 Ru1 Ru2 89.10(18) .
O1 Ru1 Ru2 87.54(16) .
N3 Ru1 Cl1 96.0(2) .
N5 Ru1 Cl1 89.8(2) .
N1 Ru1 Cl1 92.43(19) .
O1 Ru1 Cl1 87.31(16) .
Ru2 Ru1 Cl1 174.60(7) .
N4 Ru2 N2 91.8(3) .
N4 Ru2 N6 93.0(3) .
N2 Ru2 N6 175.2(3) .
N4 Ru2 O2 178.9(2) .
N2 Ru2 O2 88.5(3) .
N6 Ru2 O2 86.8(2) .
N4 Ru2 Ru1 89.62(19) .
N2 Ru2 Ru1 89.6(2) .
N6 Ru2 Ru1 90.29(19) .
O2 Ru2 Ru1 89.36(15) .
N4 Ru2 O3 100.2(3) .
N2 Ru2 O3 85.1(3) .
N6 Ru2 O3 94.2(3) .
O2 Ru2 O3 80.8(3) .
Ru1 Ru2 O3 169.0(2) .
C2 N1 C5 115.2(7) .
C2 N1 Ru1 117.7(6) .
C5 N1 Ru1 127.1(6) .
C2 N2 C11 116.1(7) .
C2 N2 Ru2 118.2(6) .
C11 N2 Ru2 124.1(6) .
C3 N3 C17 113.9(7) .
C3 N3 Ru1 118.6(6) .
C17 N3 Ru1 127.3(6) .
C3 N4 C23 117.8(7) .
C3 N4 Ru2 118.1(6) .
C23 N4 Ru2 123.9(6) .
C4 N5 C29 113.3(7) .
C4 N5 Ru1 119.8(6) .
C29 N5 Ru1 125.0(5) .
C4 N6 C35 117.5(7) .
C4 N6 Ru2 117.9(6) .
C35 N6 Ru2 124.7(6) .
C1 O1 Ru1 119.0(5) .
C1 O2 Ru2 117.0(5) .
O1 C1 O2 126.0(7) .
O1 C1 C1 118.3(9) 2_666
O2 C1 C1 115.7(9) 2_666
N2 C2 N1 124.6(8) .
N2 C2 H2A 117.7 .
N1 C2 H2A 117.7 .
N3 C3 N4 124.0(8) .
N3 C3 H3B 118.0 .
N4 C3 H3B 118.0 .
N6 C4 N5 122.5(8) .
N6 C4 H4A 118.7 .
N5 C4 H4A 118.7 .
C10 C5 C6 118.7(9) .
C10 C5 N1 120.1(9) .
C6 C5 N1 121.2(9) .
C7 C6 C5 120.4(11) .
C7 C6 H6A 119.8 .
C5 C6 H6A 119.8 .
C6 C7 C8 120.9(13) .
C6 C7 H7A 119.6 .
C8 C7 H7A 119.6 .
C9 C8 C7 119.6(11) .
C9 C8 H8A 120.2 .
C7 C8 H8A 120.2 .
C8 C9 C10 119.3(12) .
C8 C9 H9A 120.3 .
C10 C9 H9A 120.3 .
C5 C10 C9 120.9(11) .
C5 C10 H10A 119.6 .
C9 C10 H10A 119.6 .
C16 C11 C12 115.6(10) .
C16 C11 N2 122.5(9) .
C12 C11 N2 121.9(8) .
C11 C12 C13 121.5(11) .
C11 C12 H12A 119.2 .
C13 C12 H12A 119.2 .
C14 C13 C12 121.3(11) .
C14 C13 H13A 119.4 .
C12 C13 H13A 119.4 .
C13 C14 C15 119.6(11) .
C13 C14 H14A 120.2 .
C15 C14 H14A 120.2 .
C14 C15 C16 119.4(11) .
C14 C15 H15A 120.3 .
C16 C15 H15A 120.3 .
C11 C16 C15 122.5(11) .
C11 C16 H16A 118.7 .
C15 C16 H16A 118.7 .
C22 C17 C18 120.2(8) .
C22 C17 N3 120.4(8) .
C18 C17 N3 119.4(8) .
C17 C18 C19 119.3(9) .
C17 C18 H18A 120.4 .
C19 C18 H18A 120.4 .
C18 C19 C20 120.3(9) .
C18 C19 H19A 119.9 .
C20 C19 H19A 119.9 .
C21 C20 C19 120.1(9) .
C21 C20 H20A 119.9 .
C19 C20 H20A 119.9 .
C20 C21 C22 119.1(9) .
C20 C21 H21A 120.4 .
C22 C21 H21A 120.4 .
C17 C22 C21 120.9(8) .
C17 C22 H22A 119.5 .
C21 C22 H22A 119.6 .
C28 C23 N4 121.2(8) .
C28 C23 C24 117.7(8) .
N4 C23 C24 121.1(8) .
C25 C24 C23 119.7(9) .
C25 C24 H24A 120.1 .
C23 C24 H24A 120.1 .
C26 C25 C24 121.9(10) .
C26 C25 H25A 119.0 .
C24 C25 H25A 119.0 .
C25 C26 C27 118.2(9) .
C25 C26 H26A 120.9 .
C27 C26 H26A 120.9 .
C26 C27 C28 121.1(10) .
C26 C27 H27A 119.4 .
C28 C27 H27A 119.4 .
C23 C28 C27 121.3(10) .
C23 C28 H28A 119.4 .
C27 C28 H28A 119.4 .
C30 C29 C34 117.5(9) .
C30 C29 N5 121.6(9) .
C34 C29 N5 120.8(9) .
C29 C30 C31 121.8(10) .
C29 C30 H30A 119.1 .
C31 C30 H30A 119.1 .
C32 C31 C30 120.3(10) .
C32 C31 H31A 119.9 .
C30 C31 H31A 119.9 .
C31 C32 C33 118.5(11) .
C31 C32 H32A 120.7 .
C33 C32 H32A 120.7 .
C34 C33 C32 120.5(12) .
C34 C33 H33A 119.7 .
C32 C33 H33A 119.7 .
C33 C34 C29 121.2(11) .
C33 C34 H34A 119.4 .
C29 C34 H34A 119.4 .
C40 C35 C36 119.8(9) .
C40 C35 N6 119.2(8) .
C36 C35 N6 120.9(8) .
C37 C36 C35 119.4(10) .
C37 C36 H36A 120.3 .
C35 C36 H36A 120.3 .
C38 C37 C36 119.8(11) .
C38 C37 H37A 120.1 .
C36 C37 H37A 120.1 .
C39 C38 C37 121.9(11) .
C39 C38 H38A 119.1 .
C37 C38 H38A 119.1 .
C38 C39 C40 119.1(12) .
C38 C39 H39A 120.4 .
C40 C39 H39A 120.5 .
C35 C40 C39 119.9(11) .
C35 C40 H40A 120.0 .
C39 C40 H40A 120.0 .
C43 O4 C44 102(2) .
C42 C41 C43 102(3) .
C42 C41 H41A 111.4 .
C43 C41 H41A 111.3 .
C42 C41 H41B 111.6 .
C43 C41 H41B 111.5 .
H41A C41 H41B 109.2 .
C41 C42 C44 107(3) .
C41 C42 H42A 110.0 .
C44 C42 H42A 110.4 .
C41 C42 H42B 110.2 .
C44 C42 H42B 110.3 .
H42A C42 H42B 108.5 .
O4 C43 C41 120(3) .
O4 C43 H43A 107.1 .
C41 C43 H43A 107.5 .
O4 C43 H43B 107.3 .
C41 C43 H43B 107.7 .
H43A C43 H43B 107.1 .
O4 C44 C42 108(3) .
O4 C44 H44A 110.3 .
C42 C44 H44A 109.9 .
O4 C44 H44B 110.1 .
C42 C44 H44B 109.9 .
H44A C44 H44B 108.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N3 2.048(7) .
Ru1 N5 2.079(7) .
Ru1 N1 2.091(7) .
Ru1 O1 2.091(6) .
Ru1 Ru2 2.3503(9) .
Ru1 Cl1 2.452(2) .
Ru2 N4 2.051(7) .
Ru2 N2 2.061(7) .
Ru2 N6 2.062(7) .
Ru2 O2 2.083(5) .
Ru2 O3 2.409(8) .
N1 C2 1.301(11) .
N1 C5 1.432(10) .
N2 C2 1.313(10) .
N2 C11 1.435(11) .
N3 C3 1.316(11) .
N3 C17 1.433(10) .
N4 C3 1.303(10) .
N4 C23 1.419(10) .
N5 C4 1.297(10) .
N5 C29 1.423(11) .
N6 C4 1.343(11) .
N6 C35 1.444(10) .
O1 C1 1.258(9) .
O2 C1 1.270(9) .
C1 C1 1.529(16) 2_666
C2 H2A 0.9300 .
C3 H3B 0.9300 .
C4 H4A 0.9300 .
C5 C10 1.372(13) .
C5 C6 1.392(13) .
C6 C7 1.357(15) .
C6 H6A 0.9300 .
C7 C8 1.389(19) .
C7 H7A 0.9300 .
C8 C9 1.363(18) .
C8 H8A 0.9300 .
C9 C10 1.403(13) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C16 1.350(13) .
C11 C12 1.373(13) .
C12 C13 1.368(14) .
C12 H12A 0.9300 .
C13 C14 1.322(16) .
C13 H13A 0.9300 .
C14 C15 1.332(16) .
C14 H14A 0.9300 .
C15 C16 1.393(15) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C22 1.384(12) .
C17 C18 1.380(12) .
C18 C19 1.397(13) .
C18 H18A 0.9300 .
C19 C20 1.405(14) .
C19 H19A 0.9300 .
C20 C21 1.372(13) .
C20 H20A 0.9300 .
C21 C22 1.403(12) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C28 1.387(12) .
C23 C24 1.410(12) .
C24 C25 1.379(12) .
C24 H24A 0.9300 .
C25 C26 1.376(13) .
C25 H25A 0.9300 .
C26 C27 1.378(14) .
C26 H26A 0.9300 .
C27 C28 1.374(13) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.367(12) .
C29 C34 1.364(14) .
C30 C31 1.375(13) .
C30 H30A 0.9300 .
C31 C32 1.363(16) .
C31 H31A 0.9300 .
C32 C33 1.372(17) .
C32 H32A 0.9300 .
C33 C34 1.378(16) .
C33 H33A 0.9300 .
C34 H34A 0.9300 .
C35 C40 1.369(13) .
C35 C36 1.372(12) .
C36 C37 1.389(13) .
C36 H36A 0.9300 .
C37 C38 1.339(16) .
C37 H37A 0.9300 .
C38 C39 1.352(17) .
C38 H38A 0.9300 .
C39 C40 1.386(14) .
C39 H39A 0.9300 .
C40 H40A 0.9300 .
O4 C43 1.40(3) .
O4 C44 1.34(4) .
C41 C42 1.37(4) .
C41 C43 1.37(4) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C44 1.56(4) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
O6 O7 1.51(4) 2_566
O7 O6 1.51(4) 2_566
