#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:37:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179119 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/81/4308139.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_4308139
loop_
_publ_author_name
'Wei-Zhong Chen'
'John D. Protasiewicz'
'Stephen A. Davis'
'James B. Updegraff'
'Li-Qing Ma'
'Phillip E. Fanwick'
'Tong Ren'
_publ_contact_author_address
;    Department of Chemistry
     Purdue University
     560 Oval Dr.
     W. Lafayette
     IN 47907-2084
     USA
;
_publ_contact_author_email       tren@purdue.edu
_publ_contact_author_fax         1(765)4940239
_publ_contact_author_name        'Tong Ren'
_publ_contact_author_phone       1(765)4945466
_publ_section_title
;
Olefin Metathesis as an Inorganic Synthetic Tool: Cross and Ring Closing
Metathesis Reactions of Diruthenium-Bound ω-Alkene-α-carboxylates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3775
_journal_page_last               3782
_journal_paper_doi               10.1021/ic070123l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C44 H32 Cl13 N6 O2 Ru2'
_chemical_formula_weight         1339.75
_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_date             18-05-06
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.820(2)
_cell_angle_beta                 99.830(2)
_cell_angle_gamma                94.748(2)
_cell_formula_units_Z            2
_cell_length_a                   11.5633(5)
_cell_length_b                   14.8987(6)
_cell_length_c                   15.7020(7)
_cell_measurement_reflns_used    11635
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.15
_cell_volume                     2553.93(19)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       ω
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11635
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    1.316
_exptl_absorpt_correction_T_max  0.8797
_exptl_absorpt_correction_T_min  0.5591
_exptl_absorpt_correction_type   multi-scan_(Otwinowski_&_Minor,_1997)
_exptl_crystal_colour            Redish
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Need;e
_exptl_crystal_F_000             1326
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.041
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.369
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         11635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.369
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0454P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1102
_refine_ls_wR_factor_ref         0.1143
_reflns_number_gt                8688
_reflns_number_total             11635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070123l-file002_2.cif
_cod_data_source_block           comp1b
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4308139
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 0.13806(2) 0.239240(18) 0.160408(17) 0.01603(8) Uani 1 1 d . . .
Ru2 Ru 0.22184(2) 0.213197(18) 0.295192(17) 0.01669(8) Uani 1 1 d . . .
N1 N -0.0188(2) 0.2573(2) 0.20868(18) 0.0196(6) Uani 1 1 d . . .
N2 N 0.0812(3) 0.2577(2) 0.34909(18) 0.0208(6) Uani 1 1 d . . .
N3 N 0.2053(2) 0.37917(19) 0.21344(18) 0.0189(6) Uani 1 1 d . . .
N4 N 0.3130(2) 0.34370(18) 0.33588(17) 0.0175(6) Uani 1 1 d . . .
N5 N 0.2948(2) 0.21022(19) 0.11656(18) 0.0186(6) Uani 1 1 d . . .
N6 N 0.3614(2) 0.16458(19) 0.24384(18) 0.0192(6) Uani 1 1 d . . .
O1 O 0.0766(2) 0.09777(15) 0.11502(15) 0.0211(5) Uani 1 1 d . . .
O2 O 0.1323(2) 0.08036(16) 0.25310(16) 0.0233(5) Uani 1 1 d . . .
C1 C 0.0785(3) 0.0498(2) 0.1718(2) 0.0221(7) Uani 1 1 d . . .
C2 C 0.0148(4) -0.0488(3) 0.1359(3) 0.0441(11) Uani 1 1 d . . .
C3 C -0.0086(4) -0.0971(3) 0.2080(3) 0.0439(11) Uani 1 1 d . . .
C4 C 0.1016(5) -0.1307(4) 0.2530(5) 0.0710(17) Uani 1 1 d . . .
C5 C 0.1293(6) -0.1126(6) 0.3437(5) 0.118(3) Uani 1 1 d . . .
C6 C -0.0164(3) 0.2675(2) 0.2959(2) 0.0218(7) Uani 1 1 d . . .
C7 C -0.1341(3) 0.2531(2) 0.1558(2) 0.0229(8) Uani 1 1 d . . .
C8 C -0.1744(3) 0.1785(2) 0.0785(2) 0.0226(8) Uani 1 1 d . . .
C9 C -0.2864(3) 0.1756(3) 0.0294(2) 0.0261(8) Uani 1 1 d . . .
C10 C -0.3616(3) 0.2425(3) 0.0539(2) 0.0271(8) Uani 1 1 d . . .
C11 C -0.3169(3) 0.3152(3) 0.1306(3) 0.0277(8) Uani 1 1 d . . .
C12 C -0.2053(3) 0.3237(3) 0.1825(2) 0.0263(8) Uani 1 1 d . . .
C13 C 0.0805(3) 0.2702(2) 0.4412(2) 0.0222(8) Uani 1 1 d . . .
C14 C 0.1319(3) 0.2064(3) 0.4833(2) 0.0315(9) Uani 1 1 d . . .
C15 C 0.1355(4) 0.2205(3) 0.5748(3) 0.0400(11) Uani 1 1 d . . .
C16 C 0.0890(4) 0.2943(3) 0.6256(3) 0.0403(10) Uani 1 1 d . . .
C17 C 0.0375(3) 0.3543(3) 0.5811(3) 0.0356(10) Uani 1 1 d . . .
C18 C 0.0322(3) 0.3456(3) 0.4896(2) 0.0265(8) Uani 1 1 d . . .
C19 C 0.2878(3) 0.4039(2) 0.2880(2) 0.0199(7) Uani 1 1 d . . .
C20 C 0.1742(3) 0.4543(2) 0.1758(2) 0.0192(7) Uani 1 1 d . . .
C21 C 0.0539(3) 0.4610(2) 0.1522(2) 0.0226(8) Uani 1 1 d . . .
C22 C 0.0237(3) 0.5377(3) 0.1224(2) 0.0253(8) Uani 1 1 d . . .
C23 C 0.1053(3) 0.6068(3) 0.1144(3) 0.0296(8) Uani 1 1 d . . .
C24 C 0.2244(3) 0.5958(3) 0.1378(2) 0.0276(8) Uani 1 1 d . . .
C25 C 0.2611(3) 0.5200(2) 0.1664(2) 0.0246(8) Uani 1 1 d . . .
C26 C 0.4183(3) 0.3656(2) 0.4021(2) 0.0221(8) Uani 1 1 d . . .
C27 C 0.5220(3) 0.4079(2) 0.3862(3) 0.0263(8) Uani 1 1 d . . .
C28 C 0.6260(3) 0.4197(3) 0.4496(3) 0.0338(9) Uani 1 1 d . . .
C29 C 0.6300(4) 0.3930(3) 0.5287(3) 0.0325(9) Uani 1 1 d . . .
C30 C 0.5251(4) 0.3547(3) 0.5429(2) 0.0319(9) Uani 1 1 d . . .
C31 C 0.4179(3) 0.3396(2) 0.4823(2) 0.0260(8) Uani 1 1 d . . .
C32 C 0.3745(3) 0.1738(2) 0.1641(2) 0.0209(7) Uani 1 1 d . . .
C33 C 0.3132(3) 0.2076(3) 0.0286(2) 0.0238(8) Uani 1 1 d . . .
C34 C 0.3307(3) 0.2906(3) 0.0040(3) 0.0335(10) Uani 1 1 d . . .
C35 C 0.3554(4) 0.2840(4) -0.0805(3) 0.0456(13) Uani 1 1 d . . .
C36 C 0.3613(4) 0.2003(4) -0.1411(3) 0.0541(14) Uani 1 1 d . . .
C37 C 0.3399(4) 0.1203(4) -0.1150(3) 0.0469(12) Uani 1 1 d . . .
C38 C 0.3163(3) 0.1200(3) -0.0306(2) 0.0321(9) Uani 1 1 d . . .
C39 C 0.4495(3) 0.1277(2) 0.2949(2) 0.0218(8) Uani 1 1 d . . .
C40 C 0.5633(3) 0.1754(2) 0.3279(2) 0.0230(8) Uani 1 1 d . . .
C41 C 0.6422(3) 0.1384(3) 0.3825(2) 0.0260(8) Uani 1 1 d . . .
C42 C 0.6144(3) 0.0559(3) 0.4033(3) 0.0295(9) Uani 1 1 d . . .
C43 C 0.5010(4) 0.0095(3) 0.3674(3) 0.0290(8) Uani 1 1 d . . .
C44 C 0.4162(3) 0.0437(2) 0.3148(2) 0.0267(8) Uani 1 1 d . . .
Cl1 Cl 0.05370(7) 0.25967(6) 0.01828(5) 0.02068(18) Uani 1 1 d . . .
Cl2 Cl -0.33716(9) 0.08543(7) -0.06895(7) 0.0404(3) Uani 1 1 d . . .
Cl3 Cl -0.40532(9) 0.40205(8) 0.16204(7) 0.0427(3) Uani 1 1 d . . .
Cl4 Cl -0.02073(11) 0.44862(9) 0.64225(7) 0.0522(3) Uani 1 1 d . . .
Cl5 Cl 0.19988(13) 0.14169(11) 0.62597(9) 0.0667(4) Uani 1 1 d . . .
Cl6 Cl -0.12580(9) 0.55061(7) 0.10021(7) 0.0383(2) Uani 1 1 d . . .
Cl7 Cl 0.33071(10) 0.68138(8) 0.13087(9) 0.0489(3) Uani 1 1 d . . .
Cl8 Cl 0.52457(13) 0.32856(8) 0.64445(7) 0.0565(3) Uani 1 1 d . . .
Cl9 Cl 0.75488(9) 0.46945(8) 0.42830(9) 0.0518(3) Uani 1 1 d . . .
Cl10 Cl 0.33972(13) 0.01138(13) -0.18963(9) 0.0867(5) Uani 1 1 d . . .
Cl11 Cl 0.38468(13) 0.38726(13) -0.10955(13) 0.0928(7) Uani 1 1 d . . .
Cl12 Cl 0.78419(9) 0.19891(8) 0.42718(7) 0.0414(3) Uani 1 1 d . . .
Cl13 Cl 0.46573(11) -0.09820(8) 0.38612(9) 0.0516(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
_geom_angle_publ_flag
N3 Ru1 O1 176.25(9) . . ?
N3 Ru1 N5 90.76(11) . . ?
O1 Ru1 N5 88.79(10) . . ?
N3 Ru1 N1 93.02(11) . . ?
O1 Ru1 N1 87.19(10) . . ?
N5 Ru1 N1 174.70(10) . . ?
N3 Ru1 Ru2 88.80(7) . . ?
O1 Ru1 Ru2 87.46(6) . . ?
N5 Ru1 Ru2 87.82(7) . . ?
N1 Ru1 Ru2 88.55(7) . . ?
N3 Ru1 Cl1 93.18(8) . . ?
O1 Ru1 Cl1 90.55(7) . . ?
N5 Ru1 Cl1 90.70(7) . . ?
N1 Ru1 Cl1 92.80(8) . . ?
Ru2 Ru1 Cl1 177.54(2) . . ?
N4 Ru2 N6 89.03(11) . . ?
N4 Ru2 N2 92.54(11) . . ?
N6 Ru2 N2 177.71(11) . . ?
N4 Ru2 O2 178.93(10) . . ?
N6 Ru2 O2 89.89(10) . . ?
N2 Ru2 O2 88.54(11) . . ?
N4 Ru2 Ru1 90.26(7) . . ?
N6 Ru2 Ru1 91.35(8) . . ?
N2 Ru2 Ru1 90.31(8) . . ?
O2 Ru2 Ru1 89.77(7) . . ?
C6 N1 C7 114.7(3) . . ?
C6 N1 Ru1 118.9(2) . . ?
C7 N1 Ru1 126.3(2) . . ?
C6 N2 C13 118.4(3) . . ?
C6 N2 Ru2 119.9(2) . . ?
C13 N2 Ru2 121.5(2) . . ?
C19 N3 C20 115.2(3) . . ?
C19 N3 Ru1 118.4(2) . . ?
C20 N3 Ru1 126.3(2) . . ?
C19 N4 C26 118.4(3) . . ?
C19 N4 Ru2 119.4(2) . . ?
C26 N4 Ru2 120.9(2) . . ?
C32 N5 C33 114.9(3) . . ?
C32 N5 Ru1 119.7(2) . . ?
C33 N5 Ru1 124.0(2) . . ?
C32 N6 C39 119.8(3) . . ?
C32 N6 Ru2 119.1(2) . . ?
C39 N6 Ru2 120.9(2) . . ?
C1 O1 Ru1 119.0(2) . . ?
C1 O2 Ru2 118.3(2) . . ?
O1 C1 O2 123.4(3) . . ?
O1 C1 C2 115.8(3) . . ?
O2 C1 C2 120.8(3) . . ?
C1 C2 C3 115.0(4) . . ?
C4 C3 C2 113.5(4) . . ?
C5 C4 C3 120.3(6) . . ?
N1 C6 N2 120.1(3) . . ?
C8 C7 C12 121.1(3) . . ?
C8 C7 N1 119.1(3) . . ?
C12 C7 N1 119.8(3) . . ?
C9 C8 C7 117.9(3) . . ?
C8 C9 C10 123.3(3) . . ?
C8 C9 Cl2 118.9(3) . . ?
C10 C9 Cl2 117.8(3) . . ?
C11 C10 C9 116.3(3) . . ?
C12 C11 C10 123.8(3) . . ?
C12 C11 Cl3 118.1(3) . . ?
C10 C11 Cl3 118.1(3) . . ?
C11 C12 C7 117.5(3) . . ?
C18 C13 C14 121.1(3) . . ?
C18 C13 N2 120.6(3) . . ?
C14 C13 N2 118.2(3) . . ?
C15 C14 C13 118.4(4) . . ?
C16 C15 C14 122.5(4) . . ?
C16 C15 Cl5 119.5(3) . . ?
C14 C15 Cl5 118.0(3) . . ?
C17 C16 C15 117.0(3) . . ?
C16 C17 C18 123.7(4) . . ?
C16 C17 Cl4 118.7(3) . . ?
C18 C17 Cl4 117.5(3) . . ?
C17 C18 C13 117.1(3) . . ?
N3 C19 N4 120.9(3) . . ?
C25 C20 C21 121.4(3) . . ?
C25 C20 N3 121.2(3) . . ?
C21 C20 N3 117.4(3) . . ?
C22 C21 C20 117.5(3) . . ?
C23 C22 C21 124.0(3) . . ?
C23 C22 Cl6 118.3(3) . . ?
C21 C22 Cl6 117.6(3) . . ?
C22 C23 C24 116.0(3) . . ?
C23 C24 C25 123.2(3) . . ?
C23 C24 Cl7 118.0(3) . . ?
C25 C24 Cl7 118.8(3) . . ?
C24 C25 C20 117.8(3) . . ?
C27 C26 C31 120.9(3) . . ?
C27 C26 N4 120.5(3) . . ?
C31 C26 N4 118.6(3) . . ?
C28 C27 C26 118.3(3) . . ?
C29 C28 C27 122.6(4) . . ?
C29 C28 Cl9 119.2(3) . . ?
C27 C28 Cl9 118.2(3) . . ?
C30 C29 C28 117.0(3) . . ?
C29 C30 C31 123.8(3) . . ?
C29 C30 Cl8 118.3(3) . . ?
C31 C30 Cl8 117.9(3) . . ?
C30 C31 C26 117.4(4) . . ?
N5 C32 N6 120.6(3) . . ?
C34 C33 C38 121.7(3) . . ?
C34 C33 N5 120.3(3) . . ?
C38 C33 N5 118.0(3) . . ?
C35 C34 C33 117.6(4) . . ?
C36 C35 C34 123.3(4) . . ?
C36 C35 Cl11 118.7(3) . . ?
C34 C35 Cl11 117.9(4) . . ?
C37 C36 C35 117.1(4) . . ?
C36 C37 C38 123.8(4) . . ?
C36 C37 Cl10 119.8(4) . . ?
C38 C37 Cl10 116.5(4) . . ?
C33 C38 C37 116.5(4) . . ?
C40 C39 C44 121.0(3) . . ?
C40 C39 N6 121.1(3) . . ?
C44 C39 N6 117.8(3) . . ?
C41 C40 C39 117.9(3) . . ?
C40 C41 C42 123.4(4) . . ?
C40 C41 Cl12 118.6(3) . . ?
C42 C41 Cl12 117.9(3) . . ?
C43 C42 C41 116.8(3) . . ?
C42 C43 C44 123.1(3) . . ?
C42 C43 Cl13 118.1(3) . . ?
C44 C43 Cl13 118.8(3) . . ?
C43 C44 C39 117.8(3) . . ?
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 N3 2.066(3) . ?
Ru1 O1 2.066(2) . ?
Ru1 N5 2.085(3) . ?
Ru1 N1 2.094(3) . ?
Ru1 Ru2 2.3131(4) . ?
Ru1 Cl1 2.3828(8) . ?
Ru2 N4 2.024(3) . ?
Ru2 N6 2.030(3) . ?
Ru2 N2 2.040(3) . ?
Ru2 O2 2.045(2) . ?
N1 C6 1.334(4) . ?
N1 C7 1.433(4) . ?
N2 C6 1.327(4) . ?
N2 C13 1.412(4) . ?
N3 C19 1.325(4) . ?
N3 C20 1.437(4) . ?
N4 C19 1.330(4) . ?
N4 C26 1.414(4) . ?
N5 C32 1.325(4) . ?
N5 C33 1.425(4) . ?
N6 C32 1.327(4) . ?
N6 C39 1.422(4) . ?
O1 C1 1.277(4) . ?
O2 C1 1.268(4) . ?
C1 C2 1.507(5) . ?
C2 C3 1.537(6) . ?
C3 C4 1.534(7) . ?
C4 C5 1.356(9) . ?
C7 C8 1.398(5) . ?
C7 C12 1.413(5) . ?
C8 C9 1.382(5) . ?
C9 C10 1.400(5) . ?
C9 Cl2 1.741(4) . ?
C10 C11 1.385(5) . ?
C11 C12 1.381(5) . ?
C11 Cl3 1.740(4) . ?
C13 C18 1.401(5) . ?
C13 C14 1.404(5) . ?
C14 C15 1.392(5) . ?
C15 C16 1.389(6) . ?
C15 Cl5 1.733(4) . ?
C16 C17 1.380(6) . ?
C17 C18 1.400(5) . ?
C17 Cl4 1.743(4) . ?
C20 C25 1.397(5) . ?
C20 C21 1.396(5) . ?
C21 C22 1.389(5) . ?
C22 C23 1.382(5) . ?
C22 Cl6 1.741(4) . ?
C23 C24 1.398(5) . ?
C24 C25 1.389(5) . ?
C24 Cl7 1.734(4) . ?
C26 C27 1.399(5) . ?
C26 C31 1.410(5) . ?
C27 C28 1.390(5) . ?
C28 C29 1.393(6) . ?
C28 Cl9 1.731(4) . ?
C29 C30 1.374(6) . ?
C30 C31 1.390(5) . ?
C30 Cl8 1.737(4) . ?
C33 C34 1.397(5) . ?
C33 C38 1.403(5) . ?
C34 C35 1.386(6) . ?
C35 C36 1.376(7) . ?
C35 Cl11 1.736(5) . ?
C36 C37 1.373(7) . ?
C37 C38 1.399(6) . ?
C37 Cl10 1.741(5) . ?
C39 C40 1.388(5) . ?
C39 C44 1.405(5) . ?
C40 C41 1.390(5) . ?
C41 C42 1.377(5) . ?
C41 Cl12 1.743(4) . ?
C42 C43 1.383(6) . ?
C43 C44 1.387(5) . ?
C43 Cl13 1.733(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
N3 Ru1 Ru2 N4 -10.55(10) . . . . ?
O1 Ru1 Ru2 N4 169.14(10) . . . . ?
N5 Ru1 Ru2 N4 80.25(11) . . . . ?
N1 Ru1 Ru2 N4 -103.61(11) . . . . ?
Cl1 Ru1 Ru2 N4 133.3(6) . . . . ?
N3 Ru1 Ru2 N6 -99.59(11) . . . . ?
O1 Ru1 Ru2 N6 80.10(10) . . . . ?
N5 Ru1 Ru2 N6 -8.79(11) . . . . ?
N1 Ru1 Ru2 N6 167.35(11) . . . . ?
Cl1 Ru1 Ru2 N6 44.2(6) . . . . ?
N3 Ru1 Ru2 N2 81.99(11) . . . . ?
O1 Ru1 Ru2 N2 -98.32(10) . . . . ?
N5 Ru1 Ru2 N2 172.79(11) . . . . ?
N1 Ru1 Ru2 N2 -11.07(11) . . . . ?
Cl1 Ru1 Ru2 N2 -134.2(6) . . . . ?
N3 Ru1 Ru2 O2 170.52(10) . . . . ?
O1 Ru1 Ru2 O2 -9.79(9) . . . . ?
N5 Ru1 Ru2 O2 -98.68(10) . . . . ?
N1 Ru1 Ru2 O2 77.47(10) . . . . ?
Cl1 Ru1 Ru2 O2 -45.6(6) . . . . ?
N3 Ru1 N1 C6 -75.9(3) . . . . ?
O1 Ru1 N1 C6 100.4(3) . . . . ?
N5 Ru1 N1 C6 59.5(12) . . . . ?
Ru2 Ru1 N1 C6 12.8(2) . . . . ?
Cl1 Ru1 N1 C6 -169.2(2) . . . . ?
N3 Ru1 N1 C7 109.0(3) . . . . ?
O1 Ru1 N1 C7 -74.8(3) . . . . ?
N5 Ru1 N1 C7 -115.6(11) . . . . ?
Ru2 Ru1 N1 C7 -162.3(3) . . . . ?
Cl1 Ru1 N1 C7 15.7(3) . . . . ?
N4 Ru2 N2 C6 103.6(3) . . . . ?
N6 Ru2 N2 C6 -123(3) . . . . ?
O2 Ru2 N2 C6 -76.4(3) . . . . ?
Ru1 Ru2 N2 C6 13.3(3) . . . . ?
N4 Ru2 N2 C13 -82.5(3) . . . . ?
N6 Ru2 N2 C13 51(3) . . . . ?
O2 Ru2 N2 C13 97.4(3) . . . . ?
Ru1 Ru2 N2 C13 -172.8(3) . . . . ?
O1 Ru1 N3 C19 9.9(16) . . . . ?
N5 Ru1 N3 C19 -73.2(2) . . . . ?
N1 Ru1 N3 C19 103.1(2) . . . . ?
Ru2 Ru1 N3 C19 14.6(2) . . . . ?
Cl1 Ru1 N3 C19 -163.9(2) . . . . ?
O1 Ru1 N3 C20 -172.2(14) . . . . ?
N5 Ru1 N3 C20 104.7(3) . . . . ?
N1 Ru1 N3 C20 -79.0(3) . . . . ?
Ru2 Ru1 N3 C20 -167.5(2) . . . . ?
Cl1 Ru1 N3 C20 14.0(2) . . . . ?
N6 Ru2 N4 C19 101.3(2) . . . . ?
N2 Ru2 N4 C19 -80.4(2) . . . . ?
O2 Ru2 N4 C19 102(5) . . . . ?
Ru1 Ru2 N4 C19 9.9(2) . . . . ?
N6 Ru2 N4 C26 -65.1(3) . . . . ?
N2 Ru2 N4 C26 113.2(3) . . . . ?
O2 Ru2 N4 C26 -65(5) . . . . ?
Ru1 Ru2 N4 C26 -156.5(2) . . . . ?
N3 Ru1 N5 C32 100.0(3) . . . . ?
O1 Ru1 N5 C32 -76.3(3) . . . . ?
N1 Ru1 N5 C32 -35.5(13) . . . . ?
Ru2 Ru1 N5 C32 11.2(2) . . . . ?
Cl1 Ru1 N5 C32 -166.8(3) . . . . ?
N3 Ru1 N5 C33 -94.2(3) . . . . ?
O1 Ru1 N5 C33 89.5(3) . . . . ?
N1 Ru1 N5 C33 130.3(11) . . . . ?
Ru2 Ru1 N5 C33 177.0(3) . . . . ?
Cl1 Ru1 N5 C33 -1.0(3) . . . . ?
N4 Ru2 N6 C32 -80.8(3) . . . . ?
N2 Ru2 N6 C32 146(3) . . . . ?
O2 Ru2 N6 C32 99.2(3) . . . . ?
Ru1 Ru2 N6 C32 9.5(3) . . . . ?
N4 Ru2 N6 C39 94.3(3) . . . . ?
N2 Ru2 N6 C39 -39(3) . . . . ?
O2 Ru2 N6 C39 -85.7(3) . . . . ?
Ru1 Ru2 N6 C39 -175.4(2) . . . . ?
N3 Ru1 O1 C1 18.9(16) . . . . ?
N5 Ru1 O1 C1 102.0(2) . . . . ?
N1 Ru1 O1 C1 -74.5(2) . . . . ?
Ru2 Ru1 O1 C1 14.1(2) . . . . ?
Cl1 Ru1 O1 C1 -167.3(2) . . . . ?
N4 Ru2 O2 C1 -82(5) . . . . ?
N6 Ru2 O2 C1 -82.1(2) . . . . ?
N2 Ru2 O2 C1 99.6(2) . . . . ?
Ru1 Ru2 O2 C1 9.2(2) . . . . ?
Ru1 O1 C1 O2 -11.1(4) . . . . ?
Ru1 O1 C1 C2 170.6(3) . . . . ?
Ru2 O2 C1 O1 -0.5(4) . . . . ?
Ru2 O2 C1 C2 177.7(3) . . . . ?
O1 C1 C2 C3 -165.7(4) . . . . ?
O2 C1 C2 C3 16.0(6) . . . . ?
C1 C2 C3 C4 -76.0(5) . . . . ?
C2 C3 C4 C5 133.0(5) . . . . ?
C7 N1 C6 N2 169.5(3) . . . . ?
Ru1 N1 C6 N2 -6.2(4) . . . . ?
C13 N2 C6 N1 179.3(3) . . . . ?
Ru2 N2 C6 N1 -6.6(4) . . . . ?
C6 N1 C7 C8 -127.7(3) . . . . ?
Ru1 N1 C7 C8 47.6(4) . . . . ?
C6 N1 C7 C12 52.0(4) . . . . ?
Ru1 N1 C7 C12 -132.8(3) . . . . ?
C12 C7 C8 C9 -0.5(5) . . . . ?
N1 C7 C8 C9 179.2(3) . . . . ?
C7 C8 C9 C10 -0.9(5) . . . . ?
C7 C8 C9 Cl2 178.1(3) . . . . ?
C8 C9 C10 C11 1.4(5) . . . . ?
Cl2 C9 C10 C11 -177.6(3) . . . . ?
C9 C10 C11 C12 -0.4(5) . . . . ?
C9 C10 C11 Cl3 178.2(3) . . . . ?
C10 C11 C12 C7 -0.9(5) . . . . ?
Cl3 C11 C12 C7 -179.5(3) . . . . ?
C8 C7 C12 C11 1.4(5) . . . . ?
N1 C7 C12 C11 -178.3(3) . . . . ?
C6 N2 C13 C18 -44.7(5) . . . . ?
Ru2 N2 C13 C18 141.3(3) . . . . ?
C6 N2 C13 C14 136.8(3) . . . . ?
Ru2 N2 C13 C14 -37.2(4) . . . . ?
C18 C13 C14 C15 -0.9(6) . . . . ?
N2 C13 C14 C15 177.5(4) . . . . ?
C13 C14 C15 C16 0.8(7) . . . . ?
C13 C14 C15 Cl5 -179.7(3) . . . . ?
C14 C15 C16 C17 0.3(7) . . . . ?
Cl5 C15 C16 C17 -179.2(3) . . . . ?
C15 C16 C17 C18 -1.4(7) . . . . ?
C15 C16 C17 Cl4 -179.3(3) . . . . ?
C16 C17 C18 C13 1.3(6) . . . . ?
Cl4 C17 C18 C13 179.3(3) . . . . ?
C14 C13 C18 C17 -0.1(5) . . . . ?
N2 C13 C18 C17 -178.5(3) . . . . ?
C20 N3 C19 N4 170.9(3) . . . . ?
Ru1 N3 C19 N4 -11.0(4) . . . . ?
C26 N4 C19 N3 165.7(3) . . . . ?
Ru2 N4 C19 N3 -1.0(4) . . . . ?
C19 N3 C20 C25 46.2(4) . . . . ?
Ru1 N3 C20 C25 -131.8(3) . . . . ?
C19 N3 C20 C21 -131.4(3) . . . . ?
Ru1 N3 C20 C21 50.6(4) . . . . ?
C25 C20 C21 C22 -2.6(5) . . . . ?
N3 C20 C21 C22 175.0(3) . . . . ?
C20 C21 C22 C23 0.4(5) . . . . ?
C20 C21 C22 Cl6 -175.7(3) . . . . ?
C21 C22 C23 C24 0.4(5) . . . . ?
Cl6 C22 C23 C24 176.6(3) . . . . ?
C22 C23 C24 C25 0.8(6) . . . . ?
C22 C23 C24 Cl7 -178.9(3) . . . . ?
C23 C24 C25 C20 -2.9(5) . . . . ?
Cl7 C24 C25 C20 176.9(3) . . . . ?
C21 C20 C25 C24 3.8(5) . . . . ?
N3 C20 C25 C24 -173.7(3) . . . . ?
C19 N4 C26 C27 -38.8(4) . . . . ?
Ru2 N4 C26 C27 127.7(3) . . . . ?
C19 N4 C26 C31 144.4(3) . . . . ?
Ru2 N4 C26 C31 -49.1(4) . . . . ?
C31 C26 C27 C28 3.0(5) . . . . ?
N4 C26 C27 C28 -173.8(3) . . . . ?
C26 C27 C28 C29 -1.5(5) . . . . ?
C26 C27 C28 Cl9 178.4(3) . . . . ?
C27 C28 C29 C30 -0.8(6) . . . . ?
Cl9 C28 C29 C30 179.3(3) . . . . ?
C28 C29 C30 C31 1.6(6) . . . . ?
C28 C29 C30 Cl8 -175.4(3) . . . . ?
C29 C30 C31 C26 -0.2(5) . . . . ?
Cl8 C30 C31 C26 176.8(2) . . . . ?
C27 C26 C31 C30 -2.2(5) . . . . ?
N4 C26 C31 C30 174.6(3) . . . . ?
C33 N5 C32 N6 -174.1(3) . . . . ?
Ru1 N5 C32 N6 -7.0(4) . . . . ?
C39 N6 C32 N5 -178.3(3) . . . . ?
Ru2 N6 C32 N5 -3.1(4) . . . . ?
C32 N5 C33 C34 -119.8(4) . . . . ?
Ru1 N5 C33 C34 73.8(4) . . . . ?
C32 N5 C33 C38 58.5(4) . . . . ?
Ru1 N5 C33 C38 -107.9(3) . . . . ?
C38 C33 C34 C35 -2.1(5) . . . . ?
N5 C33 C34 C35 176.1(3) . . . . ?
C33 C34 C35 C36 1.2(6) . . . . ?
C33 C34 C35 Cl11 -176.8(3) . . . . ?
C34 C35 C36 C37 0.8(6) . . . . ?
Cl11 C35 C36 C37 178.7(3) . . . . ?
C35 C36 C37 C38 -1.9(7) . . . . ?
C35 C36 C37 Cl10 177.4(3) . . . . ?
C34 C33 C38 C37 1.1(5) . . . . ?
N5 C33 C38 C37 -177.2(3) . . . . ?
C36 C37 C38 C33 1.0(6) . . . . ?
Cl10 C37 C38 C33 -178.3(3) . . . . ?
C32 N6 C39 C40 65.1(4) . . . . ?
Ru2 N6 C39 C40 -110.0(3) . . . . ?
C32 N6 C39 C44 -118.0(4) . . . . ?
Ru2 N6 C39 C44 66.9(4) . . . . ?
C44 C39 C40 C41 -1.2(5) . . . . ?
N6 C39 C40 C41 175.6(3) . . . . ?
C39 C40 C41 C42 1.9(5) . . . . ?
C39 C40 C41 Cl12 -178.2(3) . . . . ?
C40 C41 C42 C43 -0.5(5) . . . . ?
Cl12 C41 C42 C43 179.6(3) . . . . ?
C41 C42 C43 C44 -1.7(6) . . . . ?
C41 C42 C43 Cl13 175.9(3) . . . . ?
C42 C43 C44 C39 2.3(5) . . . . ?
Cl13 C43 C44 C39 -175.3(3) . . . . ?
C40 C39 C44 C43 -0.8(5) . . . . ?
N6 C39 C44 C43 -177.7(3) . . . . ?
