#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:51:44 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229975 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/67/7046785.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_7046785
loop_
_publ_author_name
'Kosaka, Wataru'
'Liu, Zhaoyuan'
'Miyasaka, Hitoshi'
_publ_section_title
;
 Layered ferrimagnets constructed from charge-transferred paddlewheel
 [Ru₂] units and TCNQ derivatives: the importance of interlayer
 translational distance in determining magnetic ground state.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11760
_journal_page_last               11768
_journal_paper_doi               10.1039/c8dt01566j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C72 H36 Cl4 F16 N4 O16 Ru4'
_chemical_formula_sum            'C72 H36 Cl4 F16 N4 O16 Ru4'
_chemical_formula_weight         2063.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_update_record
;
2018-06-06 deposited with the CCDC.
2018-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                91.729(18)
_cell_angle_beta                 110.860(16)
_cell_angle_gamma                103.26(2)
_cell_formula_units_Z            1
_cell_length_a                   10.537(3)
_cell_length_b                   14.504(5)
_cell_length_c                   15.711(5)
_cell_measurement_reflns_used    6560
_cell_measurement_temperature    116
_cell_measurement_theta_max      31.40
_cell_measurement_theta_min      1.40
_cell_volume                     2167.3(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      116
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14455
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.454
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1012.00
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.056
_refine_diff_density_max         1.63
_refine_diff_density_min         -1.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7474
_refine_ls_number_restraints     132
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0894
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1493P)²+13.6083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2424
_refine_ls_wR_factor_ref         0.2627
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5679
_reflns_number_total             7474
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8dt01566j2.cif
_cod_data_source_block           Ru-35F2-TCNQMe-DCMDCE
_cod_depositor_comments
'Adding full bibliography for 7046784--7046786.cif.'
_cod_original_cell_volume        2167.2(12)
_cod_database_code               7046785
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
Ru1 Ru 0.49041(8) 0.93058(5) 0.46015(5) 0.0403(3) Uani 1 1 d . .
Ru2 Ru 0.52000(9) 0.53388(5) 0.07170(5) 0.0446(3) Uani 1 1 d . .
Cl1 Cl 0.9055(10) 0.8761(6) 0.2117(6) 0.198(3) Uani 1 1 d . .
Cl2 Cl 0.6392(7) 0.8419(2) 0.2338(4) 0.130(2) Uani 1 1 d . .
F1 F 0.7430(12) 0.6489(7) 0.7890(7) 0.128(3) Uani 1 1 d . U
F2 F 0.8338(12) 0.9362(8) 0.9735(7) 0.131(3) Uani 1 1 d . U
F3 F 1.1005(7) 1.0562(6) 0.3640(5) 0.086(2) Uani 1 1 d . U
F4 F 1.1780(10) 1.3141(8) 0.5772(9) 0.137(3) Uani 1 1 d . U
F5 F 0.6504(8) 0.1601(5) 0.3244(5) 0.075(2) Uani 1 1 d . .
F6 F 0.6453(13) 0.0282(6) 0.0499(6) 0.131(4) Uani 1 1 d . .
F7 F 1.2494(10) 0.7339(12) 0.2187(8) 0.175(6) Uani 1 1 d . .
F8 F 1.1471(7) 0.6135(5) -0.0840(5) 0.0670(17) Uani 1 1 d . .
O1 O 0.5805(9) 0.8798(6) 0.5768(6) 0.065(2) Uani 1 1 d . .
O2 O 0.6066(8) 1.0151(7) 0.6604(4) 0.070(2) Uani 1 1 d . .
O3 O 0.6794(7) 0.9880(5) 0.4522(4) 0.0429(15) Uani 1 1 d . .
O4 O 0.6991(7) 1.1231(5) 0.5316(4) 0.0472(16) Uani 1 1 d . .
O5 O 0.5633(8) 0.4105(4) 0.1232(4) 0.0471(16) Uani 1 1 d . .
O6 O 0.5224(7) 0.3423(4) -0.0176(4) 0.0438(15) Uani 1 1 d . .
O7 O 0.7274(9) 0.5904(5) 0.0914(5) 0.0556(19) Uani 1 1 d . .
O8 O 0.6889(8) 0.5239(5) -0.0491(5) 0.0507(18) Uani 1 1 d . .
N1 N 0.4748(11) 0.7891(6) 0.3904(7) 0.067(3) Uani 1 1 d . .
N2 N 0.5422(9) 0.5922(5) 0.2124(5) 0.048(2) Uani 1 1 d . .
C1 C 0.6163(12) 0.9265(10) 0.6470(10) 0.064(3) Uani 1 1 d . .
C2 C 0.6840(17) 0.8819(12) 0.7357(11) 0.092(3) Uani 1 1 d . U
C3 C 0.6885(18) 0.7870(12) 0.7231(11) 0.097(3) Uani 1 1 d . U
H3 H 0.6550 0.7522 0.6638 0.116 Uiso 1 1 calc R U
C4 C 0.745(2) 0.7469(13) 0.8029(12) 0.103(3) Uani 1 1 d . U
C5 C 0.7944(18) 0.7851(13) 0.8915(11) 0.100(3) Uani 1 1 d . U
H5 H 0.8299 0.7548 0.9445 0.120 Uiso 1 1 calc R U
C6 C 0.7822(19) 0.8768(13) 0.8886(11) 0.100(3) Uani 1 1 d . U
C7 C 0.7255(17) 0.9341(13) 0.8129(11) 0.097(3) Uani 1 1 d . U
H7 H 0.7210 0.9983 0.8207 0.117 Uiso 1 1 calc R U
C8 C 0.7462(10) 1.0713(7) 0.4885(6) 0.042(2) Uani 1 1 d . .
C9 C 0.8829(12) 1.1125(9) 0.4815(8) 0.063(2) Uani 1 1 d . U
C10 C 0.9248(12) 1.0634(10) 0.4231(8) 0.0625(19) Uani 1 1 d . U
H10 H 0.8668 1.0048 0.3870 0.075 Uiso 1 1 calc R U
C11 C 1.0569(13) 1.1050(10) 0.4202(9) 0.071(2) Uani 1 1 d . U
C12 C 1.1411(14) 1.1863(11) 0.4664(10) 0.083(2) Uani 1 1 d . U
H12 H 1.2290 1.2127 0.4615 0.100 Uiso 1 1 calc R U
C13 C 1.0918(14) 1.2314(12) 0.5237(11) 0.089(2) Uani 1 1 d . U
C14 C 0.9694(13) 1.1986(11) 0.5330(10) 0.079(2) Uani 1 1 d . U
H14 H 0.9421 1.2326 0.5733 0.095 Uiso 1 1 calc R U
C15 C 0.5564(11) 0.3423(6) 0.0689(6) 0.045(2) Uani 1 1 d . .
C16 C 0.5873(11) 0.2538(6) 0.1092(6) 0.044(2) Uani 1 1 d . .
C17 C 0.6072(10) 0.2485(6) 0.1996(6) 0.041(2) Uani 1 1 d . .
H17 H 0.6021 0.2997 0.2363 0.049 Uiso 1 1 calc R U
C18 C 0.6350(11) 0.1668(7) 0.2359(7) 0.048(2) Uani 1 1 d . .
C19 C 0.6447(13) 0.0905(8) 0.1872(8) 0.064(3) Uani 1 1 d . .
H19 H 0.6617 0.0343 0.2134 0.076 Uiso 1 1 calc R U
C20 C 0.6281(17) 0.1012(9) 0.0984(10) 0.082(4) Uani 1 1 d . .
C21 C 0.5976(16) 0.1790(8) 0.0573(9) 0.077(4) Uani 1 1 d . .
H21 H 0.5837 0.1818 -0.0056 0.093 Uiso 1 1 calc R U
C22 C 0.7663(12) 0.5722(7) 0.0257(7) 0.051(3) Uani 1 1 d . .
C23 C 0.9199(14) 0.6125(8) 0.0420(8) 0.060(3) Uani 1 1 d . .
C24 C 1.0144(14) 0.6592(11) 0.1247(10) 0.082(4) Uani 1 1 d . .
H24 H 0.9842 0.6730 0.1728 0.099 Uiso 1 1 calc R U
C25 C 1.1500(17) 0.6854(13) 0.1368(11) 0.098(5) Uani 1 1 d . .
C26 C 1.2010(15) 0.6738(10) 0.0678(10) 0.079(4) Uani 1 1 d . .
H26 H 1.2981 0.6945 0.0778 0.095 Uiso 1 1 calc R U
C27 C 1.1027(14) 0.6310(8) -0.0149(8) 0.059(3) Uani 1 1 d . .
C28 C 0.9631(12) 0.5986(7) -0.0307(8) 0.050(3) Uani 1 1 d . .
H28 H 0.8975 0.5677 -0.0891 0.061 Uiso 1 1 calc R U
C29 C 0.4872(13) 0.7146(8) 0.3756(7) 0.057(3) Uani 1 1 d . .
C30 C 0.5064(11) 0.6221(6) 0.3631(7) 0.047(2) Uani 1 1 d . .
C31 C 0.5247(11) 0.6042(6) 0.2796(6) 0.044(2) Uani 1 1 d . .
C32 C 0.5039(11) 0.5598(6) 0.4303(6) 0.043(2) Uani 1 1 d . .
C33 C 0.4678(13) 0.5862(7) 0.5028(8) 0.062(3) Uani 1 1 d . .
H33 H 0.4450 0.6457 0.5044 0.074 Uiso 1 1 calc R U
C34 C 0.5371(15) 0.4687(7) 0.4277(7) 0.065(3) Uani 1 1 d . .
C35 C 0.596(2) 0.4362(10) 0.3594(10) 0.098(5) Uani 1 1 d . .
H35A H 0.5928 0.4814 0.3141 0.117 Uiso 1 1 calc R U
H35B H 0.6929 0.4337 0.3922 0.117 Uiso 1 1 calc R U
H35C H 0.5385 0.3727 0.3281 0.117 Uiso 1 1 calc R U
C36 C 0.7393(17) 0.8117(13) 0.1749(14) 0.125(8) Uani 1 1 d . .
H36A H 0.7387 0.7437 0.1793 0.151 Uiso 1 1 calc R U
H36B H 0.6932 0.8183 0.1092 0.151 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)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
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)
;
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
O1 Ru1 O4 89.3(3) . 2_676
O1 Ru1 O3 91.5(3) . .
O4 Ru1 O3 178.4(2) 2_676 .
O1 Ru1 O2 178.7(3) . 2_676
O4 Ru1 O2 89.8(3) 2_676 2_676
O3 Ru1 O2 89.4(3) . 2_676
O1 Ru1 N1 85.7(4) . .
O4 Ru1 N1 89.7(3) 2_676 .
O3 Ru1 N1 91.8(3) . .
O2 Ru1 N1 95.2(4) 2_676 .
O1 Ru1 Ru1 90.5(3) . 2_676
O4 Ru1 Ru1 89.34(18) 2_676 2_676
O3 Ru1 Ru1 89.22(19) . 2_676
O2 Ru1 Ru1 88.5(3) 2_676 2_676
N1 Ru1 Ru1 176.1(3) . 2_676
O7 Ru2 O8 178.8(2) . 2_665
O7 Ru2 O5 91.2(3) . .
O8 Ru2 O5 88.8(3) 2_665 .
O7 Ru2 O6 88.2(3) . 2_665
O8 Ru2 O6 91.7(3) 2_665 2_665
O5 Ru2 O6 178.9(2) . 2_665
O7 Ru2 N2 94.8(3) . .
O8 Ru2 N2 86.4(3) 2_665 .
O5 Ru2 N2 89.2(2) . .
O6 Ru2 N2 91.8(2) 2_665 .
O7 Ru2 Ru2 89.87(18) . 2_665
O8 Ru2 Ru2 88.94(18) 2_665 2_665
O5 Ru2 Ru2 89.25(17) . 2_665
O6 Ru2 Ru2 89.75(16) 2_665 2_665
N2 Ru2 Ru2 175.1(2) . 2_665
C1 O1 Ru1 120.1(7) . .
C1 O2 Ru1 113.8(7) . 2_676
C8 O3 Ru1 120.0(6) . .
C8 O4 Ru1 119.2(6) . 2_676
C15 O5 Ru2 118.9(6) . .
C15 O6 Ru2 117.1(5) . 2_665
C22 O7 Ru2 117.2(8) . .
C22 O8 Ru2 118.7(6) . 2_665
C29 N1 Ru1 163.5(11) . .
C31 N2 Ru2 163.3(8) . .
O1 C1 O2 127.0(11) . .
O1 C1 C2 117.5(12) . .
O2 C1 C2 115.5(13) . .
C7 C2 C3 126.4(15) . .
C7 C2 C1 117.4(15) . .
C3 C2 C1 116.2(14) . .
C4 C3 C2 115.7(16) . .
C4 C3 H3 122.2 . .
C2 C3 H3 122.2 . .
C5 C4 C3 129.8(17) . .
C5 C4 F1 115.1(14) . .
C3 C4 F1 115.0(16) . .
C4 C5 C6 105.1(14) . .
C4 C5 H5 127.4 . .
C6 C5 H5 127.4 . .
C5 C6 F2 117.4(14) . .
C5 C6 C7 134.3(17) . .
F2 C6 C7 108.3(14) . .
C2 C7 C6 108.6(16) . .
C2 C7 H7 125.7 . .
C6 C7 H7 125.7 . .
O3 C8 O4 122.2(9) . .
O3 C8 C9 119.4(9) . .
O4 C8 C9 118.4(10) . .
C14 C9 C10 120.5(11) . .
C14 C9 C8 120.6(11) . .
C10 C9 C8 118.9(11) . .
C9 C10 C11 116.5(12) . .
C9 C10 H10 121.7 . .
C11 C10 H10 121.7 . .
C12 C11 F3 117.8(11) . .
C12 C11 C10 125.1(12) . .
F3 C11 C10 117.0(12) . .
C11 C12 C13 115.0(12) . .
C11 C12 H12 122.5 . .
C13 C12 H12 122.5 . .
C14 C13 F4 116.9(14) . .
C14 C13 C12 125.3(15) . .
F4 C13 C12 117.7(12) . .
C13 C14 C9 117.5(13) . .
C13 C14 H14 121.3 . .
C9 C14 H14 121.3 . .
O5 C15 O6 125.0(8) . .
O5 C15 C16 117.1(8) . .
O6 C15 C16 117.9(7) . .
C17 C16 C21 120.0(9) . .
C17 C16 C15 118.5(8) . .
C21 C16 C15 121.5(8) . .
C16 C17 C18 118.1(9) . .
C16 C17 H17 120.9 . .
C18 C17 H17 120.9 . .
F5 C18 C19 117.7(8) . .
F5 C18 C17 118.2(9) . .
C19 C18 C17 124.0(9) . .
C20 C19 C18 115.1(9) . .
C20 C19 H19 122.4 . .
C18 C19 H19 122.4 . .
C19 C20 C21 124.1(10) . .
C19 C20 F6 116.1(10) . .
C21 C20 F6 119.8(11) . .
C20 C21 C16 118.6(11) . .
C20 C21 H21 120.7 . .
C16 C21 H21 120.7 . .
O8 C22 O7 125.4(11) . .
O8 C22 C23 118.1(8) . .
O7 C22 C23 116.5(10) . .
C24 C23 C28 120.5(12) . .
C24 C23 C22 121.9(10) . .
C28 C23 C22 117.6(11) . .
C25 C24 C23 118.7(12) . .
C25 C24 H24 120.7 . .
C23 C24 H24 120.7 . .
C24 C25 F7 120.9(13) . .
C24 C25 C26 123.9(14) . .
F7 C25 C26 115.0(14) . .
C27 C26 C25 115.5(13) . .
C27 C26 H26 122.3 . .
C25 C26 H26 122.3 . .
C26 C27 C28 123.5(11) . .
C26 C27 F8 118.2(11) . .
C28 C27 F8 118.2(11) . .
C27 C28 C23 117.7(11) . .
C27 C28 H28 121.2 . .
C23 C28 H28 121.2 . .
N1 C29 C30 176.6(13) . .
C32 C30 C31 127.8(8) . .
C32 C30 C29 119.6(8) . .
C31 C30 C29 112.5(8) . .
N2 C31 C30 178.0(11) . .
C33 C32 C30 119.3(9) . .
C33 C32 C34 117.7(8) . .
C30 C32 C34 123.0(8) . .
C34 C33 C32 124.1(9) 2_666 .
C34 C33 H33 118.0 2_666 .
C32 C33 H33 118.0 . .
C33 C34 C32 118.2(8) 2_666 .
C33 C34 C35 118.1(10) 2_666 .
C32 C34 C35 123.2(9) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Cl1 C36 Cl2 115.4(9) . .
Cl1 C36 H36A 108.4 . .
Cl2 C36 H36A 108.4 . .
Cl1 C36 H36B 108.4 . .
Cl2 C36 H36B 108.4 . .
H36A C36 H36B 107.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O1 1.991(7) .
Ru1 O4 2.021(7) 2_676
Ru1 O3 2.024(6) .
Ru1 O2 2.081(8) 2_676
Ru1 N1 2.241(9) .
Ru1 Ru1 2.2682(15) 2_676
Ru2 O7 2.055(8) .
Ru2 O8 2.062(8) 2_665
Ru2 O5 2.065(6) .
Ru2 O6 2.083(6) 2_665
Ru2 N2 2.256(7) .
Ru2 Ru2 2.2846(15) 2_665
Cl1 C36 1.664(16) .
Cl2 C36 1.746(16) .
F1 C4 1.425(19) .
F2 C6 1.421(19) .
F3 C11 1.376(14) .
F4 C13 1.366(17) .
F5 C18 1.350(11) .
F6 C20 1.368(12) .
F7 C25 1.377(17) .
F8 C27 1.365(11) .
O1 C1 1.166(16) .
O2 C1 1.329(15) .
O2 Ru1 2.081(8) 2_676
O3 C8 1.250(12) .
O4 C8 1.283(11) .
O4 Ru1 2.021(7) 2_676
O5 C15 1.258(10) .
O6 C15 1.277(11) .
O6 Ru2 2.083(6) 2_665
O7 C22 1.281(11) .
O8 C22 1.242(13) .
O8 Ru2 2.062(8) 2_665
N1 C29 1.144(13) .
N2 C31 1.149(11) .
C1 C2 1.559(18) .
C2 C7 1.28(2) .
C2 C3 1.40(2) .
C3 C4 1.39(2) .
C3 H3 0.9500 .
C4 C5 1.35(2) .
C5 C6 1.37(2) .
C5 H5 0.9500 .
C6 C7 1.50(2) .
C7 H7 0.9500 .
C8 C9 1.472(14) .
C9 C14 1.392(18) .
C9 C10 1.392(16) .
C10 C11 1.402(16) .
C10 H10 0.9500 .
C11 C12 1.310(19) .
C12 C13 1.400(19) .
C12 H12 0.9500 .
C13 C14 1.329(18) .
C14 H14 0.9500 .
C15 C16 1.499(12) .
C16 C17 1.367(12) .
C16 C21 1.386(13) .
C17 C18 1.377(12) .
C17 H17 0.9500 .
C18 C19 1.370(15) .
C19 C20 1.360(17) .
C19 H19 0.9500 .
C20 C21 1.363(16) .
C21 H21 0.9500 .
C22 C23 1.512(16) .
C23 C24 1.362(18) .
C23 C28 1.396(13) .
C24 C25 1.333(19) .
C24 H24 0.9500 .
C25 C26 1.392(19) .
C26 C27 1.358(18) .
C26 H26 0.9500 .
C27 C28 1.364(16) .
C28 H28 0.9500 .
C29 C30 1.420(13) .
C30 C32 1.414(13) .
C30 C31 1.417(12) .
C32 C33 1.391(12) .
C32 C34 1.445(13) .
C33 C34 1.380(14) 2_666
C33 H33 0.9500 .
C34 C33 1.380(14) 2_666
C34 C35 1.525(13) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
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 -1.3(17) . .
Ru1 O1 C1 C2 179.1(8) . .
Ru1 O2 C1 O1 2.2(16) 2_676 .
Ru1 O2 C1 C2 -178.1(8) 2_676 .
O1 C1 C2 C7 178.9(14) . .
O2 C1 C2 C7 -1(2) . .
O1 C1 C2 C3 -3(2) . .
O2 C1 C2 C3 176.8(12) . .
C7 C2 C3 C4 -1(3) . .
C1 C2 C3 C4 -178.1(14) . .
C2 C3 C4 C5 1(3) . .
C2 C3 C4 F1 177.3(14) . .
C3 C4 C5 C6 -2(3) . .
F1 C4 C5 C6 -177.8(14) . .
C4 C5 C6 F2 -176.8(15) . .
C4 C5 C6 C7 2(3) . .
C3 C2 C7 C6 1(3) . .
C1 C2 C7 C6 178.1(13) . .
C5 C6 C7 C2 -2(3) . .
F2 C6 C7 C2 177.4(14) . .
Ru1 O3 C8 O4 0.0(11) . .
Ru1 O3 C8 C9 -179.5(7) . .
Ru1 O4 C8 O3 -0.9(11) 2_676 .
Ru1 O4 C8 C9 178.6(7) 2_676 .
O3 C8 C9 C14 -169.8(11) . .
O4 C8 C9 C14 10.7(16) . .
O3 C8 C9 C10 9.6(15) . .
O4 C8 C9 C10 -169.9(10) . .
C14 C9 C10 C11 0.5(18) . .
C8 C9 C10 C11 -178.9(10) . .
C9 C10 C11 C12 -1(2) . .
C9 C10 C11 F3 178.9(11) . .
F3 C11 C12 C13 -178.8(13) . .
C10 C11 C12 C13 2(2) . .
C11 C12 C13 C14 -1(3) . .
C11 C12 C13 F4 176.8(15) . .
F4 C13 C14 C9 -177.6(14) . .
C12 C13 C14 C9 0(3) . .
C10 C9 C14 C13 0(2) . .
C8 C9 C14 C13 179.6(13) . .
Ru2 O5 C15 O6 -1.0(14) . .
Ru2 O5 C15 C16 -179.4(7) . .
Ru2 O6 C15 O5 1.5(14) 2_665 .
Ru2 O6 C15 C16 180.0(7) 2_665 .
O5 C15 C16 C17 6.3(15) . .
O6 C15 C16 C17 -172.3(9) . .
O5 C15 C16 C21 -172.8(11) . .
O6 C15 C16 C21 8.6(16) . .
C21 C16 C17 C18 -1.1(17) . .
C15 C16 C17 C18 179.8(9) . .
C16 C17 C18 F5 -177.9(9) . .
C16 C17 C18 C19 0.3(17) . .
F5 C18 C19 C20 179.9(11) . .
C17 C18 C19 C20 1.6(19) . .
C18 C19 C20 C21 -3(2) . .
C18 C19 C20 F6 176.4(12) . .
C19 C20 C21 C16 2(2) . .
F6 C20 C21 C16 -177.0(13) . .
C17 C16 C21 C20 0(2) . .
C15 C16 C21 C20 179.0(12) . .
Ru2 O8 C22 O7 -0.4(11) 2_665 .
Ru2 O8 C22 C23 178.8(6) 2_665 .
Ru2 O7 C22 O8 0.5(11) . .
Ru2 O7 C22 C23 -178.7(6) . .
O8 C22 C23 C24 -174.3(11) . .
O7 C22 C23 C24 4.9(14) . .
O8 C22 C23 C28 4.6(12) . .
O7 C22 C23 C28 -176.1(8) . .
C28 C23 C24 C25 -5(2) . .
C22 C23 C24 C25 174.1(14) . .
C23 C24 C25 F7 179.2(16) . .
C23 C24 C25 C26 5(3) . .
C24 C25 C26 C27 -2(3) . .
F7 C25 C26 C27 -176.3(14) . .
C25 C26 C27 C28 -2(2) . .
C25 C26 C27 F8 -176.8(12) . .
C26 C27 C28 C23 1.4(16) . .
F8 C27 C28 C23 176.6(8) . .
C24 C23 C28 C27 1.8(15) . .
C22 C23 C28 C27 -177.1(8) . .
C31 C30 C32 C33 -172.3(11) . .
C29 C30 C32 C33 6.8(16) . .
C31 C30 C32 C34 7.6(18) . .
C29 C30 C32 C34 -173.3(11) . .
C30 C32 C33 C34 -179.5(12) . 2_666
C34 C32 C33 C34 1(2) . 2_666
C33 C32 C34 C33 -1(2) . 2_666
C30 C32 C34 C33 179.6(11) . 2_666
C33 C32 C34 C35 -172.2(13) . .
C30 C32 C34 C35 8(2) . .
