#------------------------------------------------------------------------------
#$Date: 2019-11-26 01:02:59 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242229 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/22/4132207.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_4132207
loop_
_publ_author_name
'Zhang, Jun'
'Kosaka, Wataru'
'Sugimoto, Kunihisa'
'Miyasaka, Hitoshi'
_publ_section_title
;
 Magnetic Sponge Behavior via Electronic State Modulations.
;
_journal_issue                   16
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5644
_journal_page_last               5652
_journal_paper_doi               10.1021/jacs.8b02428
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C72 H28 Cl28 N4 O16 Ru4'
_chemical_formula_sum            'C72 H28 Cl28 N4 O16 Ru4'
_chemical_formula_weight         2601.99
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                95.065(4)
_cell_angle_beta                 99.399(3)
_cell_angle_gamma                103.745(5)
_cell_formula_units_Z            1
_cell_length_a                   11.002(3)
_cell_length_b                   14.584(4)
_cell_length_c                   15.965(5)
_cell_measurement_reflns_used    7801
_cell_measurement_temperature    116
_cell_measurement_theta_max      31.46
_cell_measurement_theta_min      1.30
_cell_volume                     2433.2(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      116
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16423
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         1.450
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.437
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1268.00
_exptl_crystal_size_max          0.152
_exptl_crystal_size_mid          0.103
_exptl_crystal_size_min          0.095
_refine_diff_density_max         2.53
_refine_diff_density_min         -1.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8390
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0768
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1372P)²+17.5184P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2139
_refine_ls_wR_factor_ref         0.2237
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7271
_reflns_number_total             8390
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja8b02428_si_002.cif
_cod_data_source_block           Ru2-235-Cl3PhCO2-TCNQMe2_comp2
_cod_original_cell_volume        2433.1(13)
_cod_database_code               4132207
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ru1 Ru -0.00715(5) 0.02406(4) 0.06870(3) 0.0256(2) Uani 1 1 d . . .
Ru2 Ru 0.00126(5) 0.43067(4) 0.46179(3) 0.02566(19) Uani 1 1 d . . .
Cl1 Cl -0.5654(3) 0.2010(2) -0.0030(2) 0.0764(8) Uani 1 1 d . . .
Cl2 Cl -0.6688(3) -0.0712(3) -0.2697(2) 0.0869(10) Uani 1 1 d . . .
Cl3 Cl -0.4090(3) -0.1160(2) -0.21496(19) 0.0690(7) Uani 1 1 d . . .
Cl4 Cl 0.2407(3) 0.32771(19) 0.14532(15) 0.0646(7) Uani 1 1 d . . .
Cl5 Cl 0.3772(3) 0.52552(19) 0.10563(19) 0.0677(7) Uani 1 1 d . . .
Cl6 Cl 0.2476(3) 0.4046(2) -0.23274(17) 0.0653(7) Uani 1 1 d . . .
Cl7 Cl 0.4150(3) 0.7486(2) 0.5748(3) 0.0694(10) Uani 0.78 1 d . . P
Cl8 Cl 0.7046(3) 0.7709(3) 0.6392(3) 0.1252(19) Uani 1 1 d . . .
Cl9 Cl 0.6340(3) 0.3980(3) 0.6450(2) 0.0926(11) Uani 1 1 d . . .
Cl10 Cl 0.3489(12) 0.3444(11) 0.5842(8) 0.072(4) Uani 0.22 1 d . . P
Cl11 Cl -0.0222(4) 0.5022(4) 0.8249(2) 0.1039(12) Uani 1 1 d . U .
Cl12 Cl -0.1132(5) 0.3665(5) 0.9502(3) 0.1465(19) Uani 1 1 d . U .
Cl13 Cl -0.2599(6) 0.0763(4) 0.7018(5) 0.169(2) Uani 1 1 d . U .
Cl14 Cl -0.1529(6) 0.2661(4) 0.1566(2) 0.1277(18) Uani 1 1 d . . .
Cl15 Cl -0.3754(5) 0.3355(3) 0.1895(3) 0.1164(15) Uani 1 1 d . . .
O1 O -0.1862(5) 0.0352(4) 0.0266(3) 0.0327(11) Uani 1 1 d . . .
O2 O -0.1716(5) -0.0110(4) -0.1079(3) 0.0349(12) Uani 1 1 d . . .
O3 O 0.0666(5) 0.1603(4) 0.0520(3) 0.0318(11) Uani 1 1 d . . .
O4 O 0.0824(5) 0.1136(4) -0.0824(3) 0.0310(11) Uani 1 1 d . . .
O5 O 0.1938(5) 0.4589(4) 0.5052(3) 0.0332(11) Uani 1 1 d . . .
O6 O 0.1922(5) 0.5951(4) 0.5806(3) 0.0358(12) Uani 1 1 d . . .
O7 O -0.0313(5) 0.3631(4) 0.5667(3) 0.0371(12) Uani 1 1 d . . .
O8 O -0.0368(5) 0.4979(4) 0.6415(3) 0.0374(12) Uani 1 1 d . . .
N1 N -0.0194(6) 0.0646(5) 0.2029(4) 0.0341(14) Uani 1 1 d . . .
N2 N -0.0017(7) 0.2881(5) 0.3955(4) 0.0381(15) Uani 1 1 d . . .
C1 C -0.2319(7) 0.0153(6) -0.0528(5) 0.0327(16) Uani 1 1 d . . .
C2 C -0.3635(7) 0.0265(7) -0.0829(5) 0.0398(19) Uani 1 1 d . . .
C3 C -0.3976(8) 0.1008(8) -0.0337(6) 0.052(2) Uani 1 1 d . . .
H3 H -0.3412 0.1387 0.0152 0.062 Uiso 1 1 calc R U .
C4 C -0.5200(9) 0.1141(8) -0.0624(6) 0.055(2) Uani 1 1 d . . .
C5 C -0.6018(9) 0.0610(8) -0.1322(6) 0.057(3) Uani 1 1 d . . .
H5 H -0.6836 0.0719 -0.1487 0.068 Uiso 1 1 calc R U .
C6 C -0.5662(8) -0.0094(8) -0.1797(6) 0.055(2) Uani 1 1 d . . .
C7 C -0.4459(8) -0.0268(7) -0.1545(6) 0.048(2) Uani 1 1 d . . .
C8 C 0.1017(6) 0.1775(5) -0.0184(4) 0.0293(15) Uani 1 1 d . . .
C9 C 0.1685(7) 0.2773(6) -0.0291(5) 0.0339(16) Uani 1 1 d . . .
C10 C 0.2311(8) 0.3468(6) 0.0402(5) 0.0410(18) Uani 1 1 d . . .
C11 C 0.2971(8) 0.4358(6) 0.0225(7) 0.049(2) Uani 1 1 d . . .
C12 C 0.3005(8) 0.4550(7) -0.0599(7) 0.052(2) Uani 1 1 d . . .
H12 H 0.3438 0.5163 -0.0703 0.062 Uiso 1 1 calc R U .
C13 C 0.2403(8) 0.3843(6) -0.1279(6) 0.0451(19) Uani 1 1 d . . .
C14 C 0.1735(8) 0.2943(6) -0.1135(5) 0.0398(18) Uani 1 1 d . . .
H14 H 0.1325 0.2458 -0.1601 0.048 Uiso 1 1 calc R U .
C15 C 0.2488(7) 0.5361(6) 0.5548(5) 0.0350(17) Uani 1 1 d . . .
C16 C 0.3905(7) 0.5550(7) 0.5841(5) 0.046(2) Uani 1 1 d . . .
C17 C 0.4705(8) 0.6485(8) 0.5966(6) 0.061(3) Uani 1 1 d . . .
C18 C 0.6000(9) 0.6574(9) 0.6253(7) 0.068(3) Uani 1 1 d . . .
C19 C 0.6510(10) 0.5823(11) 0.6393(7) 0.074(4) Uani 1 1 d . . .
H19 H 0.7404 0.5922 0.6568 0.089 Uiso 1 1 calc R U .
C20 C 0.5729(10) 0.4938(10) 0.6281(6) 0.065(3) Uani 1 1 d . . .
C21 C 0.4401(8) 0.4787(8) 0.5985(5) 0.053(3) Uani 1 1 d . . .
C22 C -0.0504(7) 0.4093(6) 0.6326(5) 0.0347(17) Uani 1 1 d . . .
C23 C -0.0903(11) 0.3508(11) 0.7012(8) 0.0812(19) Uani 1 1 d . U .
C24 C -0.0850(12) 0.3851(12) 0.7840(9) 0.0905(19) Uani 1 1 d . U .
C25 C -0.1278(14) 0.3248(14) 0.8457(9) 0.101(2) Uani 1 1 d . U .
C26 C -0.1808(15) 0.2337(14) 0.8189(11) 0.110(2) Uani 1 1 d . U .
H26 H -0.2121 0.1932 0.8583 0.132 Uiso 1 1 calc R U .
C27 C -0.1915(15) 0.1966(13) 0.7363(12) 0.111(2) Uani 1 1 d . U .
C28 C -0.1515(12) 0.2493(11) 0.6700(10) 0.094(2) Uani 1 1 d . U .
H28 H -0.1631 0.2219 0.6121 0.112 Uiso 1 1 calc R U .
C29 C -0.0166(6) 0.0819(5) 0.2748(4) 0.0269(14) Uani 1 1 d . . .
C30 C -0.0141(7) 0.1105(5) 0.3617(4) 0.0282(14) Uani 1 1 d . . .
C31 C -0.0069(7) 0.2079(5) 0.3807(4) 0.0293(15) Uani 1 1 d . . .
C32 C -0.0091(7) 0.0525(5) 0.4297(4) 0.0272(14) Uani 1 1 d . . .
C33 C -0.0346(8) -0.0497(5) 0.4141(5) 0.0336(16) Uani 1 1 d . . .
C34 C -0.0809(12) -0.1067(6) 0.3270(5) 0.058(3) Uani 1 1 d . . .
H34A H -0.0834 -0.0635 0.2834 0.069 Uiso 1 1 calc R U .
H34B H -0.0230 -0.1464 0.3166 0.069 Uiso 1 1 calc R U .
H34C H -0.1667 -0.1476 0.3240 0.069 Uiso 1 1 calc R U .
C35 C -0.0240(8) -0.0973(5) 0.4853(5) 0.0351(17) Uani 1 1 d . . .
H35 H -0.0401 -0.1647 0.4759 0.042 Uiso 1 1 calc R U .
C36 C -0.2205(16) 0.3204(10) 0.2308(8) 0.094(4) Uani 1 1 d . . .
H36A H -0.1627 0.3837 0.2543 0.113 Uiso 1 1 calc R U .
H36B H -0.2273 0.2820 0.2787 0.113 Uiso 1 1 calc R U .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(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
O3 Ru1 O2 89.3(2) . 2
O3 Ru1 O1 91.0(2) . .
O2 Ru1 O1 178.5(2) 2 .
O3 Ru1 O4 178.65(19) . 2
O2 Ru1 O4 91.1(2) 2 2
O1 Ru1 O4 88.5(2) . 2
O3 Ru1 N1 92.7(2) . .
O2 Ru1 N1 89.9(2) 2 .
O1 Ru1 N1 91.5(2) . .
O4 Ru1 N1 88.6(2) 2 .
O3 Ru1 Ru1 89.45(14) . 2
O2 Ru1 Ru1 88.82(14) 2 2
O1 Ru1 Ru1 89.78(14) . 2
O4 Ru1 Ru1 89.29(14) 2 2
N1 Ru1 Ru1 177.51(17) . 2
O5 Ru2 O7 90.2(2) . .
O5 Ru2 O6 178.9(2) . 2_566
O7 Ru2 O6 89.9(2) . 2_566
O5 Ru2 O8 89.0(2) . 2_566
O7 Ru2 O8 178.4(2) . 2_566
O6 Ru2 O8 90.9(2) 2_566 2_566
O5 Ru2 N2 90.9(2) . .
O7 Ru2 N2 86.7(2) . .
O6 Ru2 N2 90.2(2) 2_566 .
O8 Ru2 N2 94.7(2) 2_566 .
O5 Ru2 Ru2 89.80(15) . 2_566
O7 Ru2 Ru2 88.62(16) . 2_566
O6 Ru2 Ru2 89.08(15) 2_566 2_566
O8 Ru2 Ru2 90.00(16) 2_566 2_566
N2 Ru2 Ru2 175.27(17) . 2_566
C1 O1 Ru1 118.4(4) . .
C1 O2 Ru1 119.3(4) . 2
C8 O3 Ru1 119.1(5) . .
C8 O4 Ru1 118.7(4) . 2
C15 O5 Ru2 118.0(5) . .
C15 O6 Ru2 118.8(5) . 2_566
C22 O7 Ru2 119.7(5) . .
C22 O8 Ru2 117.9(5) . 2_566
C29 N1 Ru1 173.6(6) . .
C31 N2 Ru2 163.1(6) . .
O1 C1 O2 123.7(6) . .
O1 C1 C2 117.5(6) . .
O2 C1 C2 118.8(6) . .
C7 C2 C3 121.2(7) . .
C7 C2 C1 123.6(8) . .
C3 C2 C1 115.2(8) . .
C4 C3 C2 116.1(9) . .
C4 C3 H3 122.0 . .
C2 C3 H3 122.0 . .
C5 C4 C3 122.9(10) . .
C5 C4 Cl1 119.9(7) . .
C3 C4 Cl1 117.2(8) . .
C4 C5 C6 120.1(9) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C7 120.0(9) . .
C5 C6 Cl2 118.8(7) . .
C7 C6 Cl2 121.1(8) . .
C2 C7 C6 119.7(9) . .
C2 C7 Cl3 122.6(7) . .
C6 C7 Cl3 117.7(8) . .
O3 C8 O4 123.2(7) . .
O3 C8 C9 120.0(6) . .
O4 C8 C9 116.8(6) . .
C10 C9 C14 121.4(8) . .
C10 C9 C8 122.8(7) . .
C14 C9 C8 115.6(7) . .
C9 C10 C11 117.8(8) . .
C9 C10 Cl4 123.9(6) . .
C11 C10 Cl4 118.1(7) . .
C12 C11 C10 121.8(9) . .
C12 C11 Cl5 117.9(7) . .
C10 C11 Cl5 120.3(8) . .
C11 C12 C13 119.5(8) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C12 C13 C14 120.7(8) . .
C12 C13 Cl6 120.8(7) . .
C14 C13 Cl6 118.5(7) . .
C9 C14 C13 118.7(8) . .
C9 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
O6 C15 O5 124.3(7) . .
O6 C15 C16 119.3(7) . .
O5 C15 C16 116.4(7) . .
C21 C16 C17 120.8(8) . .
C21 C16 C15 118.0(8) . .
C17 C16 C15 121.2(9) . .
C18 C17 C16 116.0(11) . .
C18 C17 Cl7 120.6(9) . .
C16 C17 Cl7 123.4(7) . .
C19 C18 C17 123.9(11) . .
C19 C18 Cl8 117.8(8) . .
C17 C18 Cl8 118.2(10) . .
C20 C19 C18 119.2(9) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C19 C20 C21 120.3(11) . .
C19 C20 Cl9 120.3(8) . .
C21 C20 Cl9 119.3(10) . .
C16 C21 C20 119.7(10) . .
C16 C21 Cl10 127.9(7) . .
C20 C21 Cl10 112.4(9) . .
O8 C22 O7 123.4(7) . .
O8 C22 C23 121.0(9) . .
O7 C22 C23 115.6(8) . .
C24 C23 C28 119.6(11) . .
C24 C23 C22 125.9(13) . .
C28 C23 C22 114.2(11) . .
C23 C24 C25 122.7(17) . .
C23 C24 Cl11 123.1(10) . .
C25 C24 Cl11 114.2(13) . .
C26 C25 C24 118.1(16) . .
C26 C25 Cl12 119.3(11) . .
C24 C25 Cl12 122.6(16) . .
C25 C26 C27 121.4(14) . .
C25 C26 H26 119.3 . .
C27 C26 H26 119.3 . .
C26 C27 C28 125.4(18) . .
C26 C27 Cl13 121.0(12) . .
C28 C27 Cl13 113.5(15) . .
C27 C28 C23 112.7(16) . .
C27 C28 H28 123.7 . .
C23 C28 H28 123.7 . .
N1 C29 C30 175.3(8) . .
C31 C30 C29 113.7(6) . .
C31 C30 C32 119.7(6) . .
C29 C30 C32 126.4(6) . .
N2 C31 C30 179.2(8) . .
C35 C32 C30 118.7(6) 2_556 .
C35 C32 C33 118.7(6) 2_556 .
C30 C32 C33 122.6(6) . .
C35 C33 C32 117.0(6) . .
C35 C33 C34 118.9(7) . .
C32 C33 C34 124.0(7) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 C32 124.3(7) . 2_556
C33 C35 H35 117.8 . .
C32 C35 H35 117.8 2_556 .
Cl14 C36 Cl15 114.6(7) . .
Cl14 C36 H36A 108.6 . .
Cl15 C36 H36A 108.6 . .
Cl14 C36 H36B 108.6 . .
Cl15 C36 H36B 108.6 . .
H36A C36 H36B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O3 2.018(5) .
Ru1 O2 2.023(5) 2
Ru1 O1 2.024(5) .
Ru1 O4 2.028(5) 2
Ru1 N1 2.206(6) .
Ru1 Ru1 2.2852(12) 2
Ru2 O5 2.048(5) .
Ru2 O7 2.055(5) .
Ru2 O6 2.057(5) 2_566
Ru2 O8 2.068(5) 2_566
Ru2 N2 2.238(6) .
Ru2 Ru2 2.2761(12) 2_566
Cl1 C4 1.731(11) .
Cl2 C6 1.706(10) .
Cl3 C7 1.716(10) .
Cl4 C10 1.717(9) .
Cl5 C11 1.736(10) .
Cl6 C13 1.736(9) .
Cl7 C17 1.753(13) .
Cl8 C18 1.750(12) .
Cl9 C20 1.712(12) .
Cl10 C21 1.95(2) .
Cl11 C24 1.707(18) .
Cl12 C25 1.692(17) .
Cl13 C27 1.74(2) .
Cl14 C36 1.728(15) .
Cl15 C36 1.795(16) .
O1 C1 1.266(9) .
O2 C1 1.270(9) .
O2 Ru1 2.023(5) 2
O3 C8 1.273(9) .
O4 C8 1.275(9) .
O4 Ru1 2.028(5) 2
O5 C15 1.275(10) .
O6 C15 1.254(10) .
O6 Ru2 2.057(5) 2_566
O7 C22 1.271(10) .
O8 C22 1.258(10) .
O8 Ru2 2.068(5) 2_566
N1 C29 1.148(9) .
N2 C31 1.160(10) .
C1 C2 1.501(10) .
C2 C7 1.380(13) .
C2 C3 1.439(14) .
C3 C4 1.414(12) .
C3 H3 0.9500 .
C4 C5 1.357(15) .
C5 C6 1.390(15) .
C5 H5 0.9500 .
C6 C7 1.407(12) .
C8 C9 1.505(11) .
C9 C10 1.396(12) .
C9 C14 1.398(11) .
C10 C11 1.406(13) .
C11 C12 1.374(14) .
C12 C13 1.387(13) .
C12 H12 0.9500 .
C13 C14 1.403(12) .
C14 H14 0.9500 .
C15 C16 1.504(10) .
C16 C21 1.372(14) .
C16 C17 1.413(15) .
C17 C18 1.395(14) .
C18 C19 1.362(18) .
C19 C20 1.349(18) .
C19 H19 0.9500 .
C20 C21 1.417(12) .
C22 C23 1.504(11) .
C23 C24 1.36(2) .
C23 C28 1.48(2) .
C24 C25 1.440(16) .
C25 C26 1.32(2) .
C26 C27 1.36(3) .
C26 H26 0.9500 .
C27 C28 1.428(17) .
C28 H28 0.9500 .
C29 C30 1.406(10) .
C30 C31 1.406(10) .
C30 C32 1.436(10) .
C32 C35 1.404(10) 2_556
C32 C33 1.440(10) .
C33 C35 1.386(10) .
C33 C34 1.500(11) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C32 1.404(10) 2_556
C35 H35 0.9500 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
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
Ru1 O1 C1 O2 -0.1(10) . .
Ru1 O1 C1 C2 -178.4(5) . .
Ru1 O2 C1 O1 0.6(10) 2 .
Ru1 O2 C1 C2 178.9(5) 2 .
O1 C1 C2 C7 -151.2(8) . .
O2 C1 C2 C7 30.4(12) . .
O1 C1 C2 C3 31.4(10) . .
O2 C1 C2 C3 -147.0(7) . .
C7 C2 C3 C4 1.0(12) . .
C1 C2 C3 C4 178.4(7) . .
C2 C3 C4 C5 -0.2(13) . .
C2 C3 C4 Cl1 178.5(6) . .
C3 C4 C5 C6 -0.8(15) . .
Cl1 C4 C5 C6 -179.5(8) . .
C4 C5 C6 C7 1.1(14) . .
C4 C5 C6 Cl2 -177.3(8) . .
C3 C2 C7 C6 -0.7(13) . .
C1 C2 C7 C6 -177.9(8) . .
C3 C2 C7 Cl3 -180.0(6) . .
C1 C2 C7 Cl3 2.9(12) . .
C5 C6 C7 C2 -0.3(14) . .
Cl2 C6 C7 C2 178.0(7) . .
C5 C6 C7 Cl3 178.9(7) . .
Cl2 C6 C7 Cl3 -2.8(11) . .
Ru1 O3 C8 O4 6.4(9) . .
Ru1 O3 C8 C9 -174.1(5) . .
Ru1 O4 C8 O3 -5.8(9) 2 .
Ru1 O4 C8 C9 174.6(4) 2 .
O3 C8 C9 C10 21.3(10) . .
O4 C8 C9 C10 -159.1(7) . .
O3 C8 C9 C14 -164.0(6) . .
O4 C8 C9 C14 15.6(9) . .
C14 C9 C10 C11 1.6(11) . .
C8 C9 C10 C11 176.1(7) . .
C14 C9 C10 Cl4 -174.1(6) . .
C8 C9 C10 Cl4 0.3(11) . .
C9 C10 C11 C12 0.2(12) . .
Cl4 C10 C11 C12 176.2(7) . .
C9 C10 C11 Cl5 -179.9(6) . .
Cl4 C10 C11 Cl5 -3.9(10) . .
C10 C11 C12 C13 -1.7(13) . .
Cl5 C11 C12 C13 178.4(7) . .
C11 C12 C13 C14 1.6(13) . .
C11 C12 C13 Cl6 -177.6(7) . .
C10 C9 C14 C13 -1.8(12) . .
C8 C9 C14 C13 -176.6(7) . .
C12 C13 C14 C9 0.2(12) . .
Cl6 C13 C14 C9 179.4(6) . .
Ru2 O6 C15 O5 -1.9(10) 2_566 .
Ru2 O6 C15 C16 178.9(5) 2_566 .
Ru2 O5 C15 O6 1.8(10) . .
Ru2 O5 C15 C16 -179.0(5) . .
O6 C15 C16 C21 144.2(8) . .
O5 C15 C16 C21 -35.1(10) . .
O6 C15 C16 C17 -35.8(11) . .
O5 C15 C16 C17 145.0(8) . .
C21 C16 C17 C18 -1.1(13) . .
C15 C16 C17 C18 178.9(8) . .
C21 C16 C17 Cl7 176.9(7) . .
C15 C16 C17 Cl7 -3.1(12) . .
C16 C17 C18 C19 1.6(15) . .
Cl7 C17 C18 C19 -176.4(9) . .
C16 C17 C18 Cl8 178.3(7) . .
Cl7 C17 C18 Cl8 0.2(12) . .
C17 C18 C19 C20 -2.5(17) . .
Cl8 C18 C19 C20 -179.1(8) . .
C18 C19 C20 C21 2.6(15) . .
C18 C19 C20 Cl9 179.9(8) . .
C17 C16 C21 C20 1.4(12) . .
C15 C16 C21 C20 -178.6(7) . .
C17 C16 C21 Cl10 -179.1(8) . .
C15 C16 C21 Cl10 0.9(12) . .
C19 C20 C21 C16 -2.2(13) . .
Cl9 C20 C21 C16 -179.5(7) . .
C19 C20 C21 Cl10 178.2(8) . .
Cl9 C20 C21 Cl10 0.9(10) . .
Ru2 O8 C22 O7 7.0(10) 2_566 .
Ru2 O8 C22 C23 -173.3(6) 2_566 .
Ru2 O7 C22 O8 -8.1(10) . .
Ru2 O7 C22 C23 172.2(6) . .
O8 C22 C23 C24 -17.4(14) . .
O7 C22 C23 C24 162.3(9) . .
O8 C22 C23 C28 156.4(8) . .
O7 C22 C23 C28 -23.9(11) . .
C28 C23 C24 C25 5.0(16) . .
C22 C23 C24 C25 178.5(9) . .
C28 C23 C24 Cl11 -177.2(8) . .
C22 C23 C24 Cl11 -3.7(15) . .
C23 C24 C25 C26 -3.9(18) . .
Cl11 C24 C25 C26 178.2(10) . .
C23 C24 C25 Cl12 176.4(9) . .
Cl11 C24 C25 Cl12 -1.6(13) . .
C24 C25 C26 C27 2(2) . .
Cl12 C25 C26 C27 -178.3(11) . .
C25 C26 C27 C28 -2(2) . .
C25 C26 C27 Cl13 179.3(11) . .
C26 C27 C28 C23 2(2) . .
Cl13 C27 C28 C23 -178.4(8) . .
C24 C23 C28 C27 -4.1(15) . .
C22 C23 C28 C27 -178.3(9) . .
C31 C30 C32 C35 -10.4(10) . 2_556
C29 C30 C32 C35 164.6(7) . 2_556
C31 C30 C32 C33 170.6(7) . .
C29 C30 C32 C33 -14.4(12) . .
C35 C32 C33 C35 -0.3(12) 2_556 .
C30 C32 C33 C35 178.7(7) . .
C35 C32 C33 C34 174.8(9) 2_556 .
C30 C32 C33 C34 -6.2(13) . .
C32 C33 C35 C32 0.3(13) . 2_556
C34 C33 C35 C32 -175.1(8) . 2_556
