#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:37:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179119 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/81/4308143.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_4308143
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 Drive
  West Lafayette, IN 47906 
  USA 
;
_publ_contact_author_email       tren@purdue.edu
_publ_contact_author_fax         '(765) 494-0239'
_publ_contact_author_name        'Dr. Ren, Tong'
_publ_contact_author_phone       '(765) 494-5466'
_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_moiety         'C42 H40 Cl9 N4 O6 Ru2'
_chemical_formula_sum            'C42 H40 Cl9 N4 O6 Ru2'
_chemical_formula_weight         1217.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 107.625(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9030(3)
_cell_length_b                   25.1518(9)
_cell_length_c                   17.9937(6)
_cell_measurement_reflns_used    5987
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.38
_cell_volume                     4702.8(3)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX2 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  0.0800
_diffrn_reflns_av_sigmaI/netI    0.0512
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            93899
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    1.205
_exptl_absorpt_correction_T_max  0.9763
_exptl_absorpt_correction_T_min  0.7609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'AXScale in Apex2 (Bruker, 2004)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             2436
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.413
_refine_diff_density_min         -1.159
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         11747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0349P)²+4.5728P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                8822
_reflns_number_total             11747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070123l-file002_6.cif
_cod_data_source_block           comp4b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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               4308143
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.05467(2) 0.360364(10) 0.276589(13) 0.01307(6) Uani 1 1 d . A 1
Ru2 Ru 0.07992(2) 0.331243(10) 0.159621(13) 0.01362(6) Uani 1 1 d . A 1
Cl1 Cl 0.12760(7) 0.29535(3) 0.04453(4) 0.02054(16) Uani 1 1 d . A 1
Cl9 Cl 0.41360(8) 0.42734(3) 0.56669(4) 0.02363(17) Uani 1 1 d . A 1
Cl6 Cl -0.48502(8) 0.38962(3) 0.33027(5) 0.02778(19) Uani 1 1 d . A 1
Cl3 Cl 0.01404(8) 0.46866(4) -0.12542(4) 0.02618(19) Uani 1 1 d . A 1
Cl5 Cl -0.35545(9) 0.43088(4) -0.17314(5) 0.0341(2) Uani 1 1 d . A 1
Cl8 Cl 0.25803(9) 0.60858(3) 0.40724(5) 0.0320(2) Uani 1 1 d . A 1
Cl4 Cl -0.27879(9) 0.22223(4) -0.10811(5) 0.0329(2) Uani 1 1 d . A 1
Cl7 Cl -0.29075(9) 0.57608(3) 0.27141(5) 0.0303(2) Uani 1 1 d . A 1
Cl2 Cl 0.51400(9) 0.42330(6) 0.00960(6) 0.0566(4) Uani 1 1 d . A 1
N1 N 0.1705(2) 0.42367(10) 0.27733(14) 0.0154(5) Uani 1 1 d . A 1
N2 N 0.1749(2) 0.40074(10) 0.15445(13) 0.0155(5) Uani 1 1 d . A 1
N4 N -0.0938(2) 0.36338(10) 0.09964(14) 0.0154(5) Uani 1 1 d . A 1
N3 N -0.1086(2) 0.39873(10) 0.21520(14) 0.0158(5) Uani 1 1 d . A 1
O1 O 0.2123(2) 0.31689(8) 0.33674(11) 0.0169(4) Uani 1 1 d . A 1
O3 O -0.0535(2) 0.29419(8) 0.27822(11) 0.0173(5) Uani 1 1 d . A 1
O2 O 0.2476(2) 0.29465(8) 0.22462(12) 0.0177(5) Uani 1 1 d . A 1
O4 O -0.0140(2) 0.26226(8) 0.17187(12) 0.0185(5) Uani 1 1 d . A 1
C3 C 0.2078(3) 0.43278(12) 0.21452(17) 0.0161(6) Uani 1 1 d . A 1
H3 H 0.2593 0.4631 0.2133 0.019 Uiso 1 1 calc R A 1
C2 C -0.1559(3) 0.39076(12) 0.13943(16) 0.0166(6) Uani 1 1 d . A 1
H2 H -0.2377 0.4053 0.1125 0.020 Uiso 1 1 calc R A 1
C4 C 0.2738(3) 0.29148(12) 0.29789(17) 0.0163(6) Uani 1 1 d . A 1
C1 C -0.0594(3) 0.25772(13) 0.22850(18) 0.0188(7) Uani 1 1 d . A 1
C5 C -0.1938(3) 0.42625(12) 0.24858(16) 0.0149(6) Uani 1 1 d . A 1
C8 C -0.3781(3) 0.47958(13) 0.29850(17) 0.0189(7) Uani 1 1 d . A 1
H8 H -0.4424 0.4978 0.3142 0.023 Uiso 1 1 calc R A 1
C7 C -0.3725(3) 0.42469(13) 0.29902(17) 0.0166(6) Uani 1 1 d . A 1
C10 C -0.1938(3) 0.48088(13) 0.25052(17) 0.0197(7) Uani 1 1 d . A 1
H10 H -0.1305 0.5005 0.2356 0.024 Uiso 1 1 calc R A 1
C6 C -0.2811(3) 0.39731(13) 0.27474(17) 0.0174(6) Uani 1 1 d . A 1
H6 H -0.2782 0.3596 0.2760 0.021 Uiso 1 1 calc R A 1
C9 C -0.2875(3) 0.50719(12) 0.27453(18) 0.0195(7) Uani 1 1 d . A 1
C16 C 0.2841(3) 0.43062(12) 0.41482(17) 0.0164(6) Uani 1 1 d . A 1
H16 H 0.2907 0.3930 0.4170 0.020 Uiso 1 1 calc R A 1
C13 C 0.2674(3) 0.53994(13) 0.41009(19) 0.0204(7) Uani 1 1 d . A 1
C12 C 0.2135(3) 0.51115(13) 0.34153(17) 0.0182(6) Uani 1 1 d . A 1
H12 H 0.1717 0.5289 0.2940 0.022 Uiso 1 1 calc R A 1
C14 C 0.3277(3) 0.51531(13) 0.48024(18) 0.0202(7) Uani 1 1 d . A 1
H14 H 0.3627 0.5354 0.5265 0.024 Uiso 1 1 calc R A 1
C15 C 0.3353(3) 0.46039(13) 0.48085(17) 0.0165(6) Uani 1 1 d . A 1
C11 C 0.2224(3) 0.45600(12) 0.34448(17) 0.0154(6) Uani 1 1 d . A 1
C21 C 0.1395(3) 0.44750(13) -0.04512(17) 0.0183(7) Uani 1 1 d . A 1
C22 C 0.1104(3) 0.43365(13) 0.02191(17) 0.0187(7) Uani 1 1 d . A 1
H22 H 0.0243 0.4357 0.0236 0.022 Uiso 1 1 calc R A 1
C18 C 0.3339(3) 0.41423(14) 0.08426(18) 0.0229(7) Uani 1 1 d . A 1
H18 H 0.4017 0.4031 0.1285 0.028 Uiso 1 1 calc R A 1
C20 C 0.2629(3) 0.44537(14) -0.05013(19) 0.0246(7) Uani 1 1 d . A 1
H20 H 0.2818 0.4550 -0.0965 0.029 Uiso 1 1 calc R A 1
C19 C 0.3583(3) 0.42848(15) 0.0157(2) 0.0278(8) Uani 1 1 d . A 1
C27 C -0.2893(3) 0.37958(14) -0.10758(18) 0.0218(7) Uani 1 1 d . A 1
C23 C -0.1649(3) 0.35190(13) 0.01971(17) 0.0175(6) Uani 1 1 d . A 1
C25 C -0.2548(3) 0.28842(14) -0.07935(18) 0.0212(7) Uani 1 1 d . A 1
C24 C -0.1827(3) 0.29946(13) -0.00368(17) 0.0187(7) Uani 1 1 d . A 1
H24 H -0.1460 0.2715 0.0316 0.022 Uiso 1 1 calc R A 1
C28 C -0.2176(3) 0.39306(14) -0.03211(17) 0.0195(7) Uani 1 1 d . A 1
H28 H -0.2049 0.4292 -0.0162 0.023 Uiso 1 1 calc R A 1
C26 C -0.3110(3) 0.32743(14) -0.13291(18) 0.0233(7) Uani 1 1 d . A 1
H26 H -0.3619 0.3189 -0.1845 0.028 Uiso 1 1 calc R A 1
C34 C 0.3787(3) 0.25392(15) 0.3409(2) 0.0241(7) Uani 1 1 d . A 1
C29 C -0.1180(4) 0.20573(15) 0.2400(2) 0.0280(8) Uani 1 1 d . A 1
C35 C 0.0598(3) 0.33201(14) 0.45740(18) 0.0248(7) Uani 1 1 d . A 1
H35A H 0.1533 0.3250 0.4706 0.030 Uiso 1 1 calc R A 1
H35B H 0.0126 0.2991 0.4358 0.030 Uiso 1 1 calc R A 1
C36 C 0.0256(4) 0.34990(15) 0.5283(2) 0.0327(9) Uani 1 1 d . A 1
H36A H 0.0853 0.3347 0.5765 0.039 Uiso 1 1 calc R A 1
H36B H -0.0636 0.3397 0.5249 0.039 Uiso 1 1 calc R A 1
C37 C 0.0396(3) 0.41007(15) 0.52623(18) 0.0280(8) Uani 1 1 d . A 1
H37A H 0.1307 0.4211 0.5476 0.034 Uiso 1 1 calc R A 1
H37B H -0.0122 0.4282 0.5554 0.034 Uiso 1 1 calc R A 1
C38 C -0.0124(3) 0.42117(13) 0.43909(18) 0.0232(7) Uani 1 1 d . A 1
H38A H -0.1071 0.4256 0.4230 0.028 Uiso 1 1 calc R A 1
H38B H 0.0266 0.4539 0.4256 0.028 Uiso 1 1 calc R A 1
O5 O 0.0223(2) 0.37550(9) 0.40119(12) 0.0200(5) Uani 1 1 d . A 1
C17 C 0.2083(3) 0.41666(12) 0.08671(17) 0.0168(6) Uani 1 1 d . A 1
O6 O 0.5385(3) 0.26998(12) 0.69654(15) 0.0458(7) Uani 1 1 d . B 1
C40 C 0.4425(4) 0.28143(16) 0.5625(2) 0.0337(9) Uani 1 1 d . B 1
H40A H 0.3573 0.2818 0.5222 0.040 Uiso 1 1 calc R B 1
H40B H 0.5003 0.3069 0.5476 0.040 Uiso 1 1 calc R B 1
C39 C 0.4310(4) 0.29417(16) 0.6429(2) 0.0398(10) Uani 1 1 d . B 1
H39A H 0.4321 0.3331 0.6513 0.048 Uiso 1 1 calc R B 1
H39B H 0.3499 0.2795 0.6486 0.048 Uiso 1 1 calc R B 1
C42 C 0.5535(5) 0.22048(17) 0.6614(3) 0.0539(13) Uani 1 1 d . B 1
H42A H 0.5072 0.1920 0.6799 0.065 Uiso 1 1 calc R B 1
H42B H 0.6458 0.2108 0.6757 0.065 Uiso 1 1 calc R B 1
C41 C 0.4991(5) 0.22638(19) 0.5736(3) 0.0551(13) Uani 1 1 d . B 1
H41A H 0.5677 0.2229 0.5484 0.066 Uiso 1 1 calc R B 1
H41B H 0.4320 0.1993 0.5517 0.066 Uiso 1 1 calc R B 1
C32 C 0.2120(6) 0.1917(2) 0.3595(4) 0.0254(16) Uani 0.629(10) 1 d P A 1
C33 C 0.3305(6) 0.1960(2) 0.3315(4) 0.0277(16) Uani 0.629(10) 1 d P A 1
C31 C 0.1014(7) 0.1732(2) 0.3020(5) 0.0351(18) Uani 0.629(10) 1 d P A 1
C30 C -0.0267(7) 0.1750(3) 0.3096(5) 0.048(2) Uani 0.629(10) 1 d P A 1
C30A C -0.0122(8) 0.1609(4) 0.2571(5) 0.020(3) Uiso 0.371(10) 1 d P A 2
C33A C 0.3176(13) 0.2041(5) 0.3695(8) 0.044(3) Uiso 0.371(10) 1 d P A 2
C32A C 0.2022(14) 0.1855(6) 0.3155(9) 0.047(4) Uiso 0.371(10) 1 d P A 2
C31A C 0.0879(13) 0.1759(5) 0.3353(8) 0.036(4) Uiso 0.371(10) 1 d P A 2
H34A H 0.418(4) 0.2679(15) 0.393(2) 0.036(11) Uiso 1 1 d . C 1
H34B H 0.442(4) 0.2558(16) 0.320(2) 0.043(12) Uiso 1 1 d . D 1
H29A H -0.148(4) 0.1909(18) 0.196(3) 0.059(15) Uiso 1 1 d . E 1
H29B H -0.184(4) 0.2126(18) 0.260(3) 0.054(14) Uiso 1 1 d . F 1
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
N1 Ru1 N3 94.13(10) . . ?
N1 Ru1 O3 176.96(9) . . ?
N3 Ru1 O3 88.87(9) . . ?
N1 Ru1 O1 89.67(9) . . ?
N3 Ru1 O1 176.06(9) . . ?
O3 Ru1 O1 87.32(8) . . ?
N1 Ru1 Ru2 90.52(7) . . ?
N3 Ru1 Ru2 88.96(7) . . ?
O3 Ru1 Ru2 89.05(6) . . ?
O1 Ru1 Ru2 89.98(6) . . ?
N1 Ru1 O5 97.85(9) . . ?
N3 Ru1 O5 94.59(8) . . ?
O3 Ru1 O5 82.37(8) . . ?
O1 Ru1 O5 85.89(8) . . ?
Ru2 Ru1 O5 170.64(5) . . ?
N4 Ru2 N2 92.24(10) . . ?
N4 Ru2 O4 88.78(9) . . ?
N2 Ru2 O4 176.53(9) . . ?
N4 Ru2 O2 175.34(9) . . ?
N2 Ru2 O2 91.88(9) . . ?
O4 Ru2 O2 86.99(8) . . ?
N4 Ru2 Ru1 90.50(7) . . ?
N2 Ru2 Ru1 88.41(7) . . ?
O4 Ru2 Ru1 88.26(6) . . ?
O2 Ru2 Ru1 87.42(6) . . ?
N4 Ru2 Cl1 95.69(7) . . ?
N2 Ru2 Cl1 92.08(7) . . ?
O4 Ru2 Cl1 91.12(6) . . ?
O2 Ru2 Cl1 86.36(6) . . ?
Ru1 Ru2 Cl1 173.77(2) . . ?
C3 N1 C11 118.5(3) . . ?
C3 N1 Ru1 118.6(2) . . ?
C11 N1 Ru1 122.70(19) . . ?
C3 N2 C17 117.0(3) . . ?
C3 N2 Ru2 120.3(2) . . ?
C17 N2 Ru2 122.68(19) . . ?
C2 N4 C23 115.9(2) . . ?
C2 N4 Ru2 117.80(19) . . ?
C23 N4 Ru2 125.51(19) . . ?
C2 N3 C5 114.1(2) . . ?
C2 N3 Ru1 119.6(2) . . ?
C5 N3 Ru1 125.14(18) . . ?
C4 O1 Ru1 118.27(19) . . ?
C1 O3 Ru1 118.98(19) . . ?
C4 O2 Ru2 120.03(19) . . ?
C1 O4 Ru2 119.4(2) . . ?
N2 C3 N1 121.1(3) . . ?
N4 C2 N3 122.4(3) . . ?
O2 C4 O1 123.3(3) . . ?
O2 C4 C34 118.2(3) . . ?
O1 C4 C34 118.4(3) . . ?
O4 C1 O3 123.6(3) . . ?
O4 C1 C29 118.5(3) . . ?
O3 C1 C29 117.8(3) . . ?
C10 C5 C6 120.7(3) . . ?
C10 C5 N3 120.0(3) . . ?
C6 C5 N3 119.2(3) . . ?
C9 C8 C7 118.1(3) . . ?
C8 C7 C6 121.9(3) . . ?
C8 C7 Cl6 118.4(2) . . ?
C6 C7 Cl6 119.7(2) . . ?
C5 C10 C9 119.3(3) . . ?
C7 C6 C5 118.6(3) . . ?
C8 C9 C10 121.4(3) . . ?
C8 C9 Cl7 120.2(2) . . ?
C10 C9 Cl7 118.4(2) . . ?
C15 C16 C11 119.6(3) . . ?
C14 C13 C12 122.1(3) . . ?
C14 C13 Cl8 118.9(2) . . ?
C12 C13 Cl8 119.1(2) . . ?
C11 C12 C13 118.5(3) . . ?
C13 C14 C15 117.8(3) . . ?
C16 C15 C14 122.0(3) . . ?
C16 C15 Cl9 118.1(2) . . ?
C14 C15 Cl9 119.9(2) . . ?
C12 C11 C16 120.0(3) . . ?
C12 C11 N1 122.1(3) . . ?
C16 C11 N1 117.8(3) . . ?
C20 C21 C22 122.4(3) . . ?
C20 C21 Cl3 119.6(2) . . ?
C22 C21 Cl3 118.0(2) . . ?
C21 C22 C17 119.3(3) . . ?
C17 C18 C19 118.4(3) . . ?
C21 C20 C19 116.8(3) . . ?
C20 C19 C18 122.9(3) . . ?
C20 C19 Cl2 117.6(3) . . ?
C18 C19 Cl2 119.4(3) . . ?
C26 C27 C28 122.9(3) . . ?
C26 C27 Cl5 118.8(2) . . ?
C28 C27 Cl5 118.3(3) . . ?
C24 C23 C28 120.9(3) . . ?
C24 C23 N4 118.6(3) . . ?
C28 C23 N4 120.4(3) . . ?
C24 C25 C26 123.1(3) . . ?
C24 C25 Cl4 118.4(3) . . ?
C26 C25 Cl4 118.5(2) . . ?
C25 C24 C23 118.6(3) . . ?
C27 C28 C23 117.9(3) . . ?
C25 C26 C27 116.6(3) . . ?
C4 C34 C33 110.9(3) . . ?
C1 C29 C30 110.5(4) . . ?
O5 C35 C36 105.9(3) . . ?
C35 C36 C37 103.0(3) . . ?
C36 C37 C38 101.4(3) . . ?
O5 C38 C37 105.7(3) . . ?
C38 O5 C35 109.1(2) . . ?
C38 O5 Ru1 134.45(18) . . ?
C35 O5 Ru1 115.96(17) . . ?
C18 C17 C22 120.2(3) . . ?
C18 C17 N2 121.6(3) . . ?
C22 C17 N2 118.2(3) . . ?
C39 O6 C42 104.8(3) . . ?
C41 C40 C39 102.4(3) . . ?
O6 C39 C40 105.5(3) . . ?
O6 C42 C41 108.4(3) . . ?
C40 C41 C42 104.2(4) . . ?
C31 C32 C33 113.9(7) . . ?
C32 C33 C34 109.0(4) . . ?
C32 C31 C30 123.9(8) . . ?
C31 C30 C29 110.0(6) . . ?
C33A C32A C31A 123.4(16) . . ?
C32A C31A C30A 104.2(12) . . ?
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 N1 2.030(2) . ?
Ru1 N3 2.032(2) . ?
Ru1 O3 2.045(2) . ?
Ru1 O1 2.048(2) . ?
Ru1 Ru2 2.3222(3) . ?
Ru1 O5 2.403(2) . ?
Ru2 N4 2.041(2) . ?
Ru2 N2 2.048(3) . ?
Ru2 O4 2.060(2) . ?
Ru2 O2 2.065(2) . ?
Ru2 Cl1 2.4547(7) . ?
Cl9 C15 1.734(3) . ?
Cl6 C7 1.737(3) . ?
Cl3 C21 1.745(3) . ?
Cl5 C27 1.750(3) . ?
Cl8 C13 1.729(3) . ?
Cl4 C25 1.740(3) . ?
Cl7 C9 1.734(3) . ?
Cl2 C19 1.739(3) . ?
N1 C3 1.332(4) . ?
N1 C11 1.424(4) . ?
N2 C3 1.308(4) . ?
N2 C17 1.430(4) . ?
N4 C2 1.319(4) . ?
N4 C23 1.441(4) . ?
N3 C2 1.319(4) . ?
N3 C5 1.429(4) . ?
O1 C4 1.277(3) . ?
O3 C1 1.269(4) . ?
O2 C4 1.264(3) . ?
O4 C1 1.266(4) . ?
C4 C34 1.504(4) . ?
C1 C29 1.498(5) . ?
C5 C10 1.374(4) . ?
C5 C6 1.389(4) . ?
C8 C9 1.379(4) . ?
C8 C7 1.382(4) . ?
C7 C6 1.387(4) . ?
C10 C9 1.391(4) . ?
C16 C15 1.372(4) . ?
C16 C11 1.395(4) . ?
C13 C14 1.381(4) . ?
C13 C12 1.397(4) . ?
C12 C11 1.390(4) . ?
C14 C15 1.384(4) . ?
C21 C20 1.376(4) . ?
C21 C22 1.382(4) . ?
C22 C17 1.388(4) . ?
C18 C17 1.385(4) . ?
C18 C19 1.386(4) . ?
C20 C19 1.385(5) . ?
C27 C26 1.385(5) . ?
C27 C28 1.388(4) . ?
C23 C24 1.380(4) . ?
C23 C28 1.395(4) . ?
C25 C24 1.378(4) . ?
C25 C26 1.382(5) . ?
C34 C33 1.539(7) . ?
C29 C30 1.550(8) . ?
C35 O5 1.461(4) . ?
C35 C36 1.502(4) . ?
C36 C37 1.523(5) . ?
C37 C38 1.523(4) . ?
C38 O5 1.444(4) . ?
O6 C39 1.411(5) . ?
O6 C42 1.428(5) . ?
C40 C41 1.504(6) . ?
C40 C39 1.525(5) . ?
C42 C41 1.516(6) . ?
C32 C31 1.409(10) . ?
C32 C33 1.526(8) . ?
C31 C30 1.445(10) . ?
C30A C31A 1.545(16) . ?
C33A C32A 1.42(2) . ?
C32A C31A 1.42(2) . ?
