# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ru-35F2-TCNQ-DCMTCE
_database_code_depnum_ccdc_archive 'CCDC 1837647'
_audit_update_record             
;
2018-04-17 deposited with the CCDC.
2018-06-19 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C74 H36 Cl12 F16 N4 O16 Ru4'
_chemical_formula_moiety         'C74 H36 Cl12 F16 N4 O16 Ru4'
_chemical_formula_weight         2370.81
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.5591(17)
_cell_length_b                   14.491(2)
_cell_length_c                   15.580(2)
_cell_angle_alpha                90.3530(8)
_cell_angle_beta                 108.297(2)
_cell_angle_gamma                103.671(3)
_cell_volume                     2190.9(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6671
_cell_measurement_theta_min      1.38
_cell_measurement_theta_max      31.42
_cell_measurement_temperature    116
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.163
_exptl_crystal_size_mid          0.152
_exptl_crystal_size_min          0.032
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1160.00
_exptl_absorpt_coefficient_mu    1.140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_T_max  0.964

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      116
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            15192
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.382
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             7597
_reflns_number_gt                6285
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.1105
_refine_ls_wR_factor_gt          0.1030
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7597
_refine_ls_number_parameters     622
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0584P)²+4.0334P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.20
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.48650(3) 0.93240(2) 0.45680(2) 0.01367(11) Uani 1 1 d . . . . .
Ru2 Ru 0.51463(3) 0.53073(2) 0.07111(2) 0.01236(11) Uani 1 1 d . . . . .
Cl1 Cl 0.6264(3) 0.83542(11) 0.22418(16) 0.0852(8) Uani 1 1 d . . . . .
Cl2 Cl 0.9042(2) 0.86474(17) 0.21785(16) 0.0937(7) Uani 1 1 d . . . . .
Cl3 Cl 1.0300(4) 0.7190(3) 0.7440(3) 0.0582(9) Uani 0.5 1 d . . P . .
Cl4 Cl 0.8522(4) 0.5640(3) 0.6105(3) 0.0709(11) Uani 0.5 1 d . . P . .
Cl5 Cl 1.1421(5) 0.6232(3) 0.5690(3) 0.0556(11) Uani 0.5 1 d . . P . .
Cl6 Cl 1.1021(6) 0.4521(3) 0.6785(3) 0.0733(12) Uani 0.5 1 d . . P . .
Cl7 Cl 0.9072(6) 0.5894(4) 0.6722(3) 0.0827(14) Uani 0.5 1 d . . P . .
Cl8 Cl 0.8471(3) 0.3868(2) 0.6178(2) 0.0503(8) Uani 0.5 1 d . . P . .
Cl9 Cl 1.1718(3) 0.4945(3) 0.7138(2) 0.0443(8) Uani 0.5 1 d . . P . .
Cl10 Cl 1.1730(5) 0.6339(4) 0.6127(3) 0.0617(13) Uani 0.5 1 d . . P . .
F1 F 0.7322(4) 0.6462(2) 0.7904(2) 0.0511(9) Uani 1 1 d . . . . .
F2 F 0.8145(6) 0.9270(3) 0.9724(2) 0.0859(16) Uani 1 1 d . . . . .
F3 F 1.1042(3) 1.0498(2) 0.3598(2) 0.0366(7) Uani 1 1 d . . . . .
F4 F 1.1839(3) 1.2994(2) 0.5771(3) 0.0558(10) Uani 1 1 d . . . . .
F5 F 0.6547(4) 0.1562(3) 0.3254(3) 0.0641(12) Uani 1 1 d . . . . .
F6 F 0.6444(5) 0.0293(3) 0.0454(3) 0.0743(13) Uani 1 1 d . . . . .
F7 F 1.2323(3) 0.7218(3) 0.2177(2) 0.0642(12) Uani 1 1 d . . . . .
F8 F 1.1533(3) 0.6152(2) -0.0833(2) 0.0325(7) Uani 1 1 d . . . . .
O1 O 0.5718(3) 0.8743(2) 0.5715(2) 0.0182(7) Uani 1 1 d . . . . .
O2 O 0.6001(3) 1.0071(2) 0.6566(2) 0.0195(7) Uani 1 1 d . . . . .
O3 O 0.6750(3) 0.9860(2) 0.4455(2) 0.0154(6) Uani 1 1 d . . . . .
O4 O 0.7020(3) 1.1184(2) 0.5309(2) 0.0184(7) Uani 1 1 d . . . . .
O5 O 0.5525(3) 0.4052(2) 0.12068(19) 0.0178(7) Uani 1 1 d . . . . .
O6 O 0.5222(3) 0.3431(2) -0.0187(2) 0.0171(6) Uani 1 1 d . . . . .
O7 O 0.7217(3) 0.5865(2) 0.0914(2) 0.0176(6) Uani 1 1 d . . . . .
O8 O 0.6922(3) 0.5249(2) -0.0481(2) 0.0175(6) Uani 1 1 d . . . . .
N1 N 0.4685(4) 0.7934(3) 0.3867(3) 0.0214(9) Uani 1 1 d . . . . .
N2 N 0.5285(4) 0.5835(3) 0.2117(2) 0.0192(8) Uani 1 1 d . . . . .
C1 C 0.6106(5) 0.9224(3) 0.6472(3) 0.0228(10) Uani 1 1 d . . . . .
C2 C 0.6703(5) 0.8753(4) 0.7307(3) 0.0266(11) Uani 1 1 d . . . . .
C3 C 0.6760(5) 0.7814(4) 0.7219(4) 0.0295(12) Uani 1 1 d . . . . .
H3 H 0.6449 0.7474 0.6637 0.035 Uiso 1 1 calc R U . . .
C4 C 0.7276(6) 0.7383(4) 0.7992(4) 0.0397(14) Uani 1 1 d . . . . .
C5 C 0.7758(7) 0.7852(5) 0.8844(4) 0.0486(17) Uani 1 1 d . . . . .
H5 H 0.8114 0.7546 0.9371 0.058 Uiso 1 1 calc R U . . .
C6 C 0.7698(8) 0.8792(5) 0.8896(4) 0.0528(18) Uani 1 1 d . . . . .
C7 C 0.7168(6) 0.9261(4) 0.8143(4) 0.0388(14) Uani 1 1 d . . . . .
H7 H 0.7127 0.9905 0.8202 0.047 Uiso 1 1 calc R U . . .
C8 C 0.7455(5) 1.0682(3) 0.4851(3) 0.0176(9) Uani 1 1 d . . . . .
C9 C 0.8838(4) 1.1057(3) 0.4777(3) 0.0189(10) Uani 1 1 d . . . . .
C10 C 0.9271(5) 1.0587(3) 0.4183(3) 0.0217(10) Uani 1 1 d . . . . .
H10 H 0.8682 1.0032 0.3809 0.026 Uiso 1 1 calc R U . . .
C11 C 1.0589(5) 1.0956(4) 0.4156(3) 0.0256(11) Uani 1 1 d . . . . .
C12 C 1.1473(5) 1.1760(4) 0.4679(4) 0.0296(12) Uani 1 1 d . . . . .
H12 H 1.2374 1.2001 0.4647 0.036 Uiso 1 1 calc R U . . .
C13 C 1.0987(5) 1.2196(4) 0.5251(4) 0.0325(12) Uani 1 1 d . . . . .
C14 C 0.9696(5) 1.1874(4) 0.5314(4) 0.0283(11) Uani 1 1 d . . . . .
H14 H 0.9395 1.2200 0.5713 0.034 Uiso 1 1 calc R U . . .
C15 C 0.5489(4) 0.3392(3) 0.0660(3) 0.0180(9) Uani 1 1 d . . . . .
C16 C 0.5819(5) 0.2505(3) 0.1060(3) 0.0236(10) Uani 1 1 d . . . . .
C17 C 0.6031(5) 0.2437(4) 0.1980(4) 0.0321(12) Uani 1 1 d . . . . .
H17 H 0.5951 0.2935 0.2344 0.039 Uiso 1 1 calc R U . . .
C18 C 0.6358(6) 0.1636(4) 0.2352(4) 0.0444(16) Uani 1 1 d . . . . .
C19 C 0.6493(6) 0.0896(4) 0.1868(5) 0.0487(17) Uani 1 1 d . . . . .
H19 H 0.6712 0.0345 0.2141 0.058 Uiso 1 1 calc R U . . .
C20 C 0.6294(6) 0.0998(4) 0.0968(5) 0.0453(15) Uani 1 1 d . . . . .
C21 C 0.5926(5) 0.1776(3) 0.0531(4) 0.0337(12) Uani 1 1 d . . . . .
H21 H 0.5755 0.1805 -0.0103 0.040 Uiso 1 1 calc R U . . .
C22 C 0.7663(4) 0.5713(3) 0.0275(3) 0.0166(9) Uani 1 1 d . . . . .
C23 C 0.9162(5) 0.6092(3) 0.0411(3) 0.0203(10) Uani 1 1 d . . . . .
C24 C 1.0050(5) 0.6514(4) 0.1253(3) 0.0291(11) Uani 1 1 d . . . . .
H24 H 0.9718 0.6593 0.1742 0.035 Uiso 1 1 calc R U . . .
C25 C 1.1433(5) 0.6814(4) 0.1354(4) 0.0364(13) Uani 1 1 d . . . . .
C26 C 1.1978(5) 0.6700(4) 0.0677(4) 0.0316(12) Uani 1 1 d . . . . .
H26 H 1.2941 0.6892 0.0775 0.038 Uiso 1 1 calc R U . . .
C27 C 1.1053(5) 0.6295(3) -0.0147(3) 0.0243(11) Uani 1 1 d . . . . .
C28 C 0.9653(4) 0.5984(3) -0.0304(3) 0.0202(10) Uani 1 1 d . . . . .
H28 H 0.9043 0.5704 -0.0884 0.024 Uiso 1 1 calc R U . . .
C29 C 0.4789(4) 0.7187(3) 0.3731(3) 0.0164(9) Uani 1 1 d . . . . .
C30 C 0.4941(5) 0.6258(3) 0.3610(3) 0.0169(9) Uani 1 1 d . . . . .
C31 C 0.5127(4) 0.6017(3) 0.2779(3) 0.0171(9) Uani 1 1 d . . . . .
C32 C 0.4967(4) 0.5628(3) 0.4303(3) 0.0179(9) Uani 1 1 d . . . . .
C33 C 0.4742(5) 0.5882(3) 0.5115(3) 0.0211(10) Uani 1 1 d . . . . .
H33 H 0.4561 0.6484 0.5191 0.025 Uiso 1 1 calc R U . . .
C34 C 0.5219(5) 0.4717(3) 0.4209(3) 0.0214(10) Uani 1 1 d . . . . .
H34 H 0.5363 0.4524 0.3670 0.026 Uiso 1 1 calc R U . . .
C35 C 0.7341(8) 0.8084(6) 0.1663(5) 0.070(2) Uani 1 1 d . . . . .
H35A H 0.7238 0.7387 0.1626 0.084 Uiso 1 1 calc R U . . .
H35B H 0.7041 0.8273 0.1036 0.084 Uiso 1 1 calc R U . . .
C36 C 0.9998(15) 0.5969(13) 0.7117(10) 0.068(5) Uani 0.5 1 d . . P . .
C37 C 1.1254(14) 0.5739(9) 0.6991(9) 0.048(3) Uani 0.5 1 d . . P . .
C38 C 0.9177(13) 0.5014(9) 0.5955(9) 0.050(3) Uani 0.5 1 d . . P . .
C39 C 1.0714(13) 0.5102(9) 0.6038(8) 0.042(3) Uani 0.5 1 d . . P . .


#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.021(3) . ?
Ru1 O3 2.021(3) . ?
Ru1 O4 2.022(3) 2_676 ?
Ru1 O2 2.027(3) 2_676 ?
Ru1 N1 2.225(4) . ?
Ru1 Ru1 2.2790(7) 2_676 ?
Ru2 O8 2.054(3) 2_665 ?
Ru2 O5 2.058(3) . ?
Ru2 O7 2.064(3) . ?
Ru2 O6 2.077(3) 2_665 ?
Ru2 N2 2.264(4) . ?
Ru2 Ru2 2.2834(7) 2_665 ?
Cl1 C35 1.764(7) . ?
Cl2 C35 1.712(8) . ?
Cl3 C36 1.762(17) . ?
Cl3 Cl7 2.090(6) . ?
Cl4 Cl7 0.971(5) . ?
Cl4 C38 1.323(12) . ?
Cl4 C36 1.800(14) . ?
Cl5 Cl10 0.656(4) . ?
Cl5 C39 1.795(13) . ?
Cl5 C37 2.198(14) . ?
Cl6 Cl9 0.866(5) . ?
Cl6 C39 1.439(12) . ?
Cl6 C37 1.737(13) . ?
Cl6 C38 2.250(13) . ?
Cl7 C36 0.958(14) . ?
Cl7 C38 1.788(12) . ?
Cl8 C38 1.738(15) . ?
Cl9 C37 1.348(13) . ?
Cl9 C39 1.758(11) . ?
Cl10 C37 1.747(14) . ?
Cl10 C39 1.838(14) . ?
F1 C4 1.355(6) . ?
F2 C6 1.349(7) . ?
F3 C11 1.352(5) . ?
F4 C13 1.357(6) . ?
F5 C18 1.365(7) . ?
F6 C20 1.363(7) . ?
F7 C25 1.358(6) . ?
F8 C27 1.353(5) . ?
O1 C1 1.264(6) . ?
O2 C1 1.270(6) . ?
O2 Ru1 2.027(3) 2_676 ?
O3 C8 1.279(5) . ?
O4 C8 1.268(5) . ?
O4 Ru1 2.022(3) 2_676 ?
O5 C15 1.262(5) . ?
O6 C15 1.265(5) . ?
O6 Ru2 2.077(3) 2_665 ?
O7 C22 1.266(5) . ?
O8 C22 1.270(5) . ?
O8 Ru2 2.054(3) 2_665 ?
N1 C29 1.138(6) . ?
N2 C31 1.134(5) . ?
C1 C2 1.501(6) . ?
C2 C7 1.376(7) . ?
C2 C3 1.385(7) . ?
C3 C4 1.377(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.372(8) . ?
C5 C6 1.381(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.388(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.474(6) . ?
C9 C14 1.388(7) . ?
C9 C10 1.391(6) . ?
C10 C11 1.382(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(7) . ?
C12 C13 1.375(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.367(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.499(6) . ?
C16 C21 1.383(7) . ?
C16 C17 1.388(7) . ?
C17 C18 1.370(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.366(9) . ?
C19 C20 1.367(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.391(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.493(6) . ?
C23 C24 1.386(7) . ?
C23 C28 1.391(6) . ?
C24 C25 1.379(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(7) . ?
C26 C27 1.371(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.413(6) . ?
C30 C32 1.416(6) . ?
C30 C31 1.422(6) . ?
C32 C33 1.421(6) . ?
C32 C34 1.423(6) . ?
C33 C34 1.366(6) 2_666 ?
C33 H33 0.9500 . ?
C34 C33 1.366(6) 2_666 ?
C34 H34 0.9500 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.51(2) . ?
C37 C39 1.608(17) . ?
C38 C39 1.561(17) . ?

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
O1 Ru1 O3 90.32(12) . . ?
O1 Ru1 O4 89.98(12) . 2_676 ?
O3 Ru1 O4 178.75(11) . 2_676 ?
O1 Ru1 O2 178.69(12) . 2_676 ?
O3 Ru1 O2 90.13(12) . 2_676 ?
O4 Ru1 O2 89.55(12) 2_676 2_676 ?
O1 Ru1 N1 84.93(13) . . ?
O3 Ru1 N1 91.19(13) . . ?
O4 Ru1 N1 90.05(13) 2_676 . ?
O2 Ru1 N1 96.29(13) 2_676 . ?
O1 Ru1 Ru1 88.80(8) . 2_676 ?
O3 Ru1 Ru1 89.40(8) . 2_676 ?
O4 Ru1 Ru1 89.39(8) 2_676 2_676 ?
O2 Ru1 Ru1 89.98(9) 2_676 2_676 ?
N1 Ru1 Ru1 173.70(10) . 2_676 ?
O8 Ru2 O5 89.61(12) 2_665 . ?
O8 Ru2 O7 178.84(11) 2_665 . ?
O5 Ru2 O7 90.76(12) . . ?
O8 Ru2 O6 90.91(11) 2_665 2_665 ?
O5 Ru2 O6 178.74(11) . 2_665 ?
O7 Ru2 O6 88.70(12) . 2_665 ?
O8 Ru2 N2 87.13(13) 2_665 . ?
O5 Ru2 N2 89.27(12) . . ?
O7 Ru2 N2 93.97(12) . . ?
O6 Ru2 N2 91.90(12) 2_665 . ?
O8 Ru2 Ru2 88.77(8) 2_665 2_665 ?
O5 Ru2 Ru2 89.15(8) . 2_665 ?
O7 Ru2 Ru2 90.15(8) . 2_665 ?
O6 Ru2 Ru2 89.71(8) 2_665 2_665 ?
N2 Ru2 Ru2 175.61(10) . 2_665 ?
C36 Cl3 Cl7 27.1(5) . . ?
Cl7 Cl4 C38 101.3(7) . . ?
Cl7 Cl4 C36 20.9(6) . . ?
C38 Cl4 C36 82.4(8) . . ?
Cl10 Cl5 C39 83.4(9) . . ?
Cl10 Cl5 C37 39.9(8) . . ?
C39 Cl5 C37 46.1(5) . . ?
Cl9 Cl6 C39 96.2(7) . . ?
Cl9 Cl6 C37 49.6(5) . . ?
C39 Cl6 C37 59.9(7) . . ?
Cl9 Cl6 C38 117.8(6) . . ?
C39 Cl6 C38 43.5(6) . . ?
C37 Cl6 C38 68.3(6) . . ?
C36 Cl7 Cl4 137.9(11) . . ?
C36 Cl7 C38 94.1(11) . . ?
Cl4 Cl7 C38 46.5(5) . . ?
C36 Cl7 Cl3 57.0(11) . . ?
Cl4 Cl7 Cl3 139.3(6) . . ?
C38 Cl7 Cl3 137.9(5) . . ?
Cl6 Cl9 C37 101.2(7) . . ?
Cl6 Cl9 C39 54.5(5) . . ?
C37 Cl9 C39 60.6(7) . . ?
Cl5 Cl10 C37 126.1(10) . . ?
Cl5 Cl10 C39 75.9(8) . . ?
C37 Cl10 C39 53.2(6) . . ?
C1 O1 Ru1 119.5(3) . . ?
C1 O2 Ru1 117.9(3) . 2_676 ?
C8 O3 Ru1 119.1(3) . . ?
C8 O4 Ru1 119.3(3) . 2_676 ?
C15 O5 Ru2 118.8(3) . . ?
C15 O6 Ru2 117.2(3) . 2_665 ?
C22 O7 Ru2 117.4(3) . . ?
C22 O8 Ru2 119.2(3) . 2_665 ?
C29 N1 Ru1 162.0(4) . . ?
C31 N2 Ru2 168.4(4) . . ?
O1 C1 O2 123.9(4) . . ?
O1 C1 C2 117.6(4) . . ?
O2 C1 C2 118.6(4) . . ?
C7 C2 C3 121.5(5) . . ?
C7 C2 C1 119.4(5) . . ?
C3 C2 C1 119.2(5) . . ?
C4 C3 C2 118.6(5) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
F1 C4 C5 118.9(5) . . ?
F1 C4 C3 118.4(5) . . ?
C5 C4 C3 122.7(5) . . ?
C4 C5 C6 116.6(5) . . ?
C4 C5 H5 121.7 . . ?
C6 C5 H5 121.7 . . ?
F2 C6 C5 118.1(5) . . ?
F2 C6 C7 118.4(6) . . ?
C5 C6 C7 123.4(6) . . ?
C2 C7 C6 117.3(5) . . ?
C2 C7 H7 121.4 . . ?
C6 C7 H7 121.4 . . ?
O4 C8 O3 122.8(4) . . ?
O4 C8 C9 118.6(4) . . ?
O3 C8 C9 118.5(4) . . ?
C14 C9 C10 121.0(4) . . ?
C14 C9 C8 119.0(4) . . ?
C10 C9 C8 120.0(4) . . ?
C11 C10 C9 117.6(4) . . ?
C11 C10 H10 121.2 . . ?
C9 C10 H10 121.2 . . ?
F3 C11 C12 118.3(4) . . ?
F3 C11 C10 118.5(4) . . ?
C12 C11 C10 123.2(4) . . ?
C11 C12 C13 116.6(4) . . ?
C11 C12 H12 121.7 . . ?
C13 C12 H12 121.7 . . ?
F4 C13 C14 118.9(5) . . ?
F4 C13 C12 117.6(4) . . ?
C14 C13 C12 123.5(5) . . ?
C13 C14 C9 118.1(4) . . ?
C13 C14 H14 121.0 . . ?
C9 C14 H14 121.0 . . ?
O5 C15 O6 125.1(4) . . ?
O5 C15 C16 116.7(4) . . ?
O6 C15 C16 118.2(4) . . ?
C21 C16 C17 120.7(5) . . ?
C21 C16 C15 121.1(4) . . ?
C17 C16 C15 118.2(4) . . ?
C18 C17 C16 118.4(5) . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
F5 C18 C19 117.8(5) . . ?
F5 C18 C17 118.5(6) . . ?
C19 C18 C17 123.8(6) . . ?
C18 C19 C20 115.9(5) . . ?
C18 C19 H19 122.1 . . ?
C20 C19 H19 122.1 . . ?
F6 C20 C19 118.6(5) . . ?
F6 C20 C21 117.2(6) . . ?
C19 C20 C21 124.2(5) . . ?
C16 C21 C20 117.1(5) . . ?
C16 C21 H21 121.5 . . ?
C20 C21 H21 121.5 . . ?
O7 C22 O8 124.5(4) . . ?
O7 C22 C23 118.4(4) . . ?
O8 C22 C23 117.1(4) . . ?
C24 C23 C28 121.0(4) . . ?
C24 C23 C22 119.8(4) . . ?
C28 C23 C22 119.2(4) . . ?
C25 C24 C23 117.5(5) . . ?
C25 C24 H24 121.2 . . ?
C23 C24 H24 121.2 . . ?
F7 C25 C26 117.6(5) . . ?
F7 C25 C24 118.5(5) . . ?
C26 C25 C24 123.9(5) . . ?
C27 C26 C25 116.2(5) . . ?
C27 C26 H26 121.9 . . ?
C25 C26 H26 121.9 . . ?
F8 C27 C26 118.7(4) . . ?
F8 C27 C28 117.8(4) . . ?
C26 C27 C28 123.4(5) . . ?
C27 C28 C23 118.0(4) . . ?
C27 C28 H28 121.0 . . ?
C23 C28 H28 121.0 . . ?
N1 C29 C30 177.2(5) . . ?
C29 C30 C32 120.9(4) . . ?
C29 C30 C31 116.2(4) . . ?
C32 C30 C31 122.8(4) . . ?
N2 C31 C30 179.3(5) . . ?
C30 C32 C33 121.3(4) . . ?
C30 C32 C34 121.0(4) . . ?
C33 C32 C34 117.6(4) . . ?
C34 C33 C32 121.7(4) 2_666 . ?
C34 C33 H33 119.2 2_666 . ?
C32 C33 H33 119.2 . . ?
C33 C34 C32 120.7(4) 2_666 . ?
C33 C34 H34 119.6 2_666 . ?
C32 C34 H34 119.6 . . ?
Cl2 C35 Cl1 112.9(4) . . ?
Cl2 C35 H35A 109.0 . . ?
Cl1 C35 H35A 109.0 . . ?
Cl2 C35 H35B 109.0 . . ?
Cl1 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
Cl7 C36 C37 133.1(15) . . ?
Cl7 C36 Cl3 95.9(13) . . ?
C37 C36 Cl3 111.6(11) . . ?
Cl7 C36 Cl4 21.2(6) . . ?
C37 C36 Cl4 111.9(10) . . ?
Cl3 C36 Cl4 108.8(10) . . ?
Cl9 C37 C36 130.5(12) . . ?
Cl9 C37 C39 72.4(7) . . ?
C36 C37 C39 105.9(10) . . ?
Cl9 C37 Cl6 29.3(3) . . ?
C36 C37 Cl6 111.8(10) . . ?
C39 C37 Cl6 50.8(6) . . ?
Cl9 C37 Cl10 111.6(8) . . ?
C36 C37 Cl10 112.3(11) . . ?
C39 C37 Cl10 66.3(7) . . ?
Cl6 C37 Cl10 109.9(7) . . ?
Cl9 C37 Cl5 108.7(7) . . ?
C36 C37 Cl5 108.2(10) . . ?
C39 C37 Cl5 53.6(6) . . ?
Cl6 C37 Cl5 100.5(6) . . ?
Cl10 C37 Cl5 14.0(3) . . ?
Cl4 C38 C39 132.5(11) . . ?
Cl4 C38 Cl8 112.8(9) . . ?
C39 C38 Cl8 108.5(8) . . ?
Cl4 C38 Cl7 32.2(4) . . ?
C39 C38 Cl7 110.0(9) . . ?
Cl8 C38 Cl7 111.5(8) . . ?
Cl4 C38 Cl6 134.8(8) . . ?
C39 C38 Cl6 39.4(5) . . ?
Cl8 C38 Cl6 76.3(5) . . ?
Cl7 C38 Cl6 102.6(6) . . ?
Cl6 C39 C38 97.1(9) . . ?
Cl6 C39 C37 69.3(7) . . ?
C38 C39 C37 91.8(9) . . ?
Cl6 C39 Cl9 29.3(3) . . ?
C38 C39 Cl9 112.5(9) . . ?
C37 C39 Cl9 47.0(6) . . ?
Cl6 C39 Cl5 139.9(9) . . ?
C38 C39 Cl5 109.7(8) . . ?
C37 C39 Cl5 80.3(7) . . ?
Cl9 C39 Cl5 110.8(7) . . ?
Cl6 C39 Cl10 120.4(8) . . ?
C38 C39 Cl10 113.7(8) . . ?
C37 C39 Cl10 60.5(6) . . ?
Cl9 C39 Cl10 91.1(6) . . ?
Cl5 C39 Cl10 20.8(2) . . ?

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
C38 Cl4 Cl7 C36 25(2) . . . . ?
C36 Cl4 Cl7 C38 -25(2) . . . . ?
C38 Cl4 Cl7 Cl3 117.8(9) . . . . ?
C36 Cl4 Cl7 Cl3 92(2) . . . . ?
C39 Cl6 Cl9 C37 41.0(8) . . . . ?
C38 Cl6 Cl9 C37 1.1(9) . . . . ?
C37 Cl6 Cl9 C39 -41.0(8) . . . . ?
C38 Cl6 Cl9 C39 -39.9(7) . . . . ?
C39 Cl5 Cl10 C37 -18.5(11) . . . . ?
C37 Cl5 Cl10 C39 18.5(11) . . . . ?
Ru1 O1 C1 O2 -0.4(6) . . . . ?
Ru1 O1 C1 C2 178.6(3) . . . . ?
Ru1 O2 C1 O1 0.9(6) 2_676 . . . ?
Ru1 O2 C1 C2 -178.1(3) 2_676 . . . ?
O1 C1 C2 C7 178.4(5) . . . . ?
O2 C1 C2 C7 -2.5(7) . . . . ?
O1 C1 C2 C3 -2.2(7) . . . . ?
O2 C1 C2 C3 176.8(4) . . . . ?
C7 C2 C3 C4 1.0(8) . . . . ?
C1 C2 C3 C4 -178.3(5) . . . . ?
C2 C3 C4 F1 179.6(5) . . . . ?
C2 C3 C4 C5 -1.1(9) . . . . ?
F1 C4 C5 C6 179.5(6) . . . . ?
C3 C4 C5 C6 0.2(10) . . . . ?
C4 C5 C6 F2 179.1(6) . . . . ?
C4 C5 C6 C7 0.9(11) . . . . ?
C3 C2 C7 C6 0.0(9) . . . . ?
C1 C2 C7 C6 179.3(5) . . . . ?
F2 C6 C7 C2 -179.2(6) . . . . ?
C5 C6 C7 C2 -1.0(11) . . . . ?
Ru1 O4 C8 O3 0.3(5) 2_676 . . . ?
Ru1 O4 C8 C9 -179.3(3) 2_676 . . . ?
Ru1 O3 C8 O4 -0.6(5) . . . . ?
Ru1 O3 C8 C9 178.9(3) . . . . ?
O4 C8 C9 C14 9.4(6) . . . . ?
O3 C8 C9 C14 -170.2(4) . . . . ?
O4 C8 C9 C10 -171.3(4) . . . . ?
O3 C8 C9 C10 9.1(6) . . . . ?
C14 C9 C10 C11 0.8(7) . . . . ?
C8 C9 C10 C11 -178.5(4) . . . . ?
C9 C10 C11 F3 178.5(4) . . . . ?
C9 C10 C11 C12 -0.4(7) . . . . ?
F3 C11 C12 C13 -178.7(5) . . . . ?
C10 C11 C12 C13 0.2(8) . . . . ?
C11 C12 C13 F4 -179.6(5) . . . . ?
C11 C12 C13 C14 -0.4(8) . . . . ?
F4 C13 C14 C9 180.0(5) . . . . ?
C12 C13 C14 C9 0.7(8) . . . . ?
C10 C9 C14 C13 -0.9(7) . . . . ?
C8 C9 C14 C13 178.3(5) . . . . ?
Ru2 O5 C15 O6 -0.7(6) . . . . ?
Ru2 O5 C15 C16 178.0(3) . . . . ?
Ru2 O6 C15 O5 1.3(6) 2_665 . . . ?
Ru2 O6 C15 C16 -177.4(3) 2_665 . . . ?
O5 C15 C16 C21 -174.3(4) . . . . ?
O6 C15 C16 C21 4.6(7) . . . . ?
O5 C15 C16 C17 5.0(6) . . . . ?
O6 C15 C16 C17 -176.2(4) . . . . ?
C21 C16 C17 C18 0.5(8) . . . . ?
C15 C16 C17 C18 -178.8(5) . . . . ?
C16 C17 C18 F5 -179.1(5) . . . . ?
C16 C17 C18 C19 0.2(9) . . . . ?
F5 C18 C19 C20 179.9(5) . . . . ?
C17 C18 C19 C20 0.7(10) . . . . ?
C18 C19 C20 F6 178.6(5) . . . . ?
C18 C19 C20 C21 -2.3(10) . . . . ?
C17 C16 C21 C20 -2.0(8) . . . . ?
C15 C16 C21 C20 177.2(5) . . . . ?
F6 C20 C21 C16 -177.9(5) . . . . ?
C19 C20 C21 C16 3.0(9) . . . . ?
Ru2 O7 C22 O8 0.6(5) . . . . ?
Ru2 O7 C22 C23 -178.8(3) . . . . ?
Ru2 O8 C22 O7 -0.2(6) 2_665 . . . ?
Ru2 O8 C22 C23 179.3(3) 2_665 . . . ?
O7 C22 C23 C24 6.4(6) . . . . ?
O8 C22 C23 C24 -173.1(4) . . . . ?
O7 C22 C23 C28 -176.0(4) . . . . ?
O8 C22 C23 C28 4.5(6) . . . . ?
C28 C23 C24 C25 -0.4(7) . . . . ?
C22 C23 C24 C25 177.2(5) . . . . ?
C23 C24 C25 F7 -179.2(5) . . . . ?
C23 C24 C25 C26 -1.5(9) . . . . ?
F7 C25 C26 C27 -179.7(5) . . . . ?
C24 C25 C26 C27 2.6(9) . . . . ?
C25 C26 C27 F8 -179.0(4) . . . . ?
C25 C26 C27 C28 -2.0(8) . . . . ?
F8 C27 C28 C23 177.3(4) . . . . ?
C26 C27 C28 C23 0.2(7) . . . . ?
C24 C23 C28 C27 1.0(7) . . . . ?
C22 C23 C28 C27 -176.6(4) . . . . ?
C29 C30 C32 C33 4.6(7) . . . . ?
C31 C30 C32 C33 -178.4(4) . . . . ?
C29 C30 C32 C34 -175.4(4) . . . . ?
C31 C30 C32 C34 1.6(7) . . . . ?
C30 C32 C33 C34 -179.3(4) . . . 2_666 ?
C34 C32 C33 C34 0.7(8) . . . 2_666 ?
C30 C32 C34 C33 179.3(4) . . . 2_666 ?
C33 C32 C34 C33 -0.7(7) . . . 2_666 ?
Cl4 Cl7 C36 C37 2(4) . . . . ?
C38 Cl7 C36 C37 20(2) . . . . ?
Cl3 Cl7 C36 C37 -127(3) . . . . ?
Cl4 Cl7 C36 Cl3 129.1(14) . . . . ?
C38 Cl7 C36 Cl3 147.3(8) . . . . ?
C38 Cl7 C36 Cl4 18.2(16) . . . . ?
Cl3 Cl7 C36 Cl4 -129.1(14) . . . . ?
Cl7 Cl3 C36 C37 141(2) . . . . ?
Cl7 Cl3 C36 Cl4 17.2(6) . . . . ?
C38 Cl4 C36 Cl7 -155(2) . . . . ?
Cl7 Cl4 C36 C37 -179(3) . . . . ?
C38 Cl4 C36 C37 26.6(13) . . . . ?
Cl7 Cl4 C36 Cl3 -54.7(17) . . . . ?
C38 Cl4 C36 Cl3 150.4(11) . . . . ?
Cl6 Cl9 C37 C36 58.5(15) . . . . ?
C39 Cl9 C37 C36 96.2(15) . . . . ?
Cl6 Cl9 C37 C39 -37.7(8) . . . . ?
C39 Cl9 C37 Cl6 37.7(8) . . . . ?
Cl6 Cl9 C37 Cl10 -92.4(9) . . . . ?
C39 Cl9 C37 Cl10 -54.6(8) . . . . ?
Cl6 Cl9 C37 Cl5 -77.8(8) . . . . ?
C39 Cl9 C37 Cl5 -40.1(6) . . . . ?
Cl7 C36 C37 Cl9 -91(3) . . . . ?
Cl3 C36 C37 Cl9 147.3(11) . . . . ?
Cl4 C36 C37 Cl9 -90.4(16) . . . . ?
Cl7 C36 C37 C39 -11(3) . . . . ?
Cl3 C36 C37 C39 -132.5(10) . . . . ?
Cl4 C36 C37 C39 -10.2(15) . . . . ?
Cl7 C36 C37 Cl6 -64(3) . . . . ?
Cl3 C36 C37 Cl6 174.0(8) . . . . ?
Cl4 C36 C37 Cl6 -63.8(14) . . . . ?
Cl7 C36 C37 Cl10 60(3) . . . . ?
Cl3 C36 C37 Cl10 -62.0(12) . . . . ?
Cl4 C36 C37 Cl10 60.2(14) . . . . ?
Cl7 C36 C37 Cl5 45(3) . . . . ?
Cl3 C36 C37 Cl5 -76.3(10) . . . . ?
Cl4 C36 C37 Cl5 46.0(13) . . . . ?
C39 Cl6 C37 Cl9 -131.2(10) . . . . ?
C38 Cl6 C37 Cl9 -179.0(9) . . . . ?
Cl9 Cl6 C37 C36 -135.7(13) . . . . ?
C39 Cl6 C37 C36 93.1(12) . . . . ?
C38 Cl6 C37 C36 45.3(10) . . . . ?
Cl9 Cl6 C37 C39 131.2(10) . . . . ?
C38 Cl6 C37 C39 -47.8(7) . . . . ?
Cl9 Cl6 C37 Cl10 98.9(9) . . . . ?
C39 Cl6 C37 Cl10 -32.2(8) . . . . ?
C38 Cl6 C37 Cl10 -80.0(7) . . . . ?
Cl9 Cl6 C37 Cl5 109.7(8) . . . . ?
C39 Cl6 C37 Cl5 -21.5(6) . . . . ?
C38 Cl6 C37 Cl5 -69.3(6) . . . . ?
Cl5 Cl10 C37 Cl9 80.7(15) . . . . ?
C39 Cl10 C37 Cl9 58.1(8) . . . . ?
Cl5 Cl10 C37 C36 -75.6(16) . . . . ?
C39 Cl10 C37 C36 -98.3(11) . . . . ?
Cl5 Cl10 C37 C39 22.7(13) . . . . ?
Cl5 Cl10 C37 Cl6 49.5(15) . . . . ?
C39 Cl10 C37 Cl6 26.8(6) . . . . ?
C39 Cl10 C37 Cl5 -22.7(13) . . . . ?
Cl7 Cl4 C38 C39 -54.2(15) . . . . ?
C36 Cl4 C38 C39 -45.3(14) . . . . ?
Cl7 Cl4 C38 Cl8 94.4(9) . . . . ?
C36 Cl4 C38 Cl8 103.3(10) . . . . ?
C36 Cl4 C38 Cl7 8.9(8) . . . . ?
Cl7 Cl4 C38 Cl6 1.2(15) . . . . ?
C36 Cl4 C38 Cl6 10.1(13) . . . . ?
C36 Cl7 C38 Cl4 -163.2(15) . . . . ?
Cl3 Cl7 C38 Cl4 -120.6(9) . . . . ?
C36 Cl7 C38 C39 -22.8(15) . . . . ?
Cl4 Cl7 C38 C39 140.5(13) . . . . ?
Cl3 Cl7 C38 C39 19.8(13) . . . . ?
C36 Cl7 C38 Cl8 97.7(14) . . . . ?
Cl4 Cl7 C38 Cl8 -99.1(9) . . . . ?
Cl3 Cl7 C38 Cl8 140.3(6) . . . . ?
C36 Cl7 C38 Cl6 17.7(14) . . . . ?
Cl4 Cl7 C38 Cl6 -179.1(11) . . . . ?
Cl3 Cl7 C38 Cl6 60.3(10) . . . . ?
Cl9 Cl6 C39 C38 -124.5(8) . . . . ?
C37 Cl6 C39 C38 -89.3(9) . . . . ?
Cl9 Cl6 C39 C37 -35.2(7) . . . . ?
C38 Cl6 C39 C37 89.3(9) . . . . ?
C37 Cl6 C39 Cl9 35.2(7) . . . . ?
C38 Cl6 C39 Cl9 124.5(8) . . . . ?
Cl9 Cl6 C39 Cl5 8.0(14) . . . . ?
C37 Cl6 C39 Cl5 43.2(12) . . . . ?
C38 Cl6 C39 Cl5 132.5(16) . . . . ?
Cl9 Cl6 C39 Cl10 -1.7(10) . . . . ?
C37 Cl6 C39 Cl10 33.5(8) . . . . ?
C38 Cl6 C39 Cl10 122.8(12) . . . . ?
Cl4 C38 C39 Cl6 112.9(14) . . . . ?
Cl8 C38 C39 Cl6 -36.7(10) . . . . ?
Cl7 C38 C39 Cl6 85.6(9) . . . . ?
Cl4 C38 C39 C37 43.6(16) . . . . ?
Cl8 C38 C39 C37 -106.0(9) . . . . ?
Cl7 C38 C39 C37 16.2(10) . . . . ?
Cl6 C38 C39 C37 -69.3(7) . . . . ?
Cl4 C38 C39 Cl9 87.1(15) . . . . ?
Cl8 C38 C39 Cl9 -62.6(10) . . . . ?
Cl7 C38 C39 Cl9 59.7(11) . . . . ?
Cl6 C38 C39 Cl9 -25.9(3) . . . . ?
Cl4 C38 C39 Cl5 -36.8(17) . . . . ?
Cl8 C38 C39 Cl5 173.6(6) . . . . ?
Cl7 C38 C39 Cl5 -64.1(10) . . . . ?
Cl6 C38 C39 Cl5 -149.7(11) . . . . ?
Cl4 C38 C39 Cl10 -14.8(18) . . . . ?
Cl8 C38 C39 Cl10 -164.4(6) . . . . ?
Cl7 C38 C39 Cl10 -42.2(11) . . . . ?
Cl6 C38 C39 Cl10 -127.7(11) . . . . ?
Cl9 C37 C39 Cl6 22.7(5) . . . . ?
C36 C37 C39 Cl6 -105.4(11) . . . . ?
Cl10 C37 C39 Cl6 146.8(7) . . . . ?
Cl5 C37 C39 Cl6 153.4(7) . . . . ?
Cl9 C37 C39 C38 119.6(9) . . . . ?
C36 C37 C39 C38 -8.6(13) . . . . ?
Cl6 C37 C39 C38 96.9(9) . . . . ?
Cl10 C37 C39 C38 -116.3(8) . . . . ?
Cl5 C37 C39 C38 -109.7(8) . . . . ?
C36 C37 C39 Cl9 -128.1(13) . . . . ?
Cl6 C37 C39 Cl9 -22.7(5) . . . . ?
Cl10 C37 C39 Cl9 124.1(7) . . . . ?
Cl5 C37 C39 Cl9 130.7(7) . . . . ?
Cl9 C37 C39 Cl5 -130.7(7) . . . . ?
C36 C37 C39 Cl5 101.1(11) . . . . ?
Cl6 C37 C39 Cl5 -153.4(7) . . . . ?
Cl10 C37 C39 Cl5 -6.6(4) . . . . ?
Cl9 C37 C39 Cl10 -124.1(7) . . . . ?
C36 C37 C39 Cl10 107.8(11) . . . . ?
Cl6 C37 C39 Cl10 -146.8(7) . . . . ?
Cl5 C37 C39 Cl10 6.6(4) . . . . ?
C37 Cl9 C39 Cl6 -132.4(10) . . . . ?
Cl6 Cl9 C39 C38 62.3(9) . . . . ?
C37 Cl9 C39 C38 -70.2(10) . . . . ?
Cl6 Cl9 C39 C37 132.4(10) . . . . ?
Cl6 Cl9 C39 Cl5 -174.5(10) . . . . ?
C37 Cl9 C39 Cl5 53.0(8) . . . . ?
Cl6 Cl9 C39 Cl10 178.5(8) . . . . ?
C37 Cl9 C39 Cl10 46.1(7) . . . . ?
Cl10 Cl5 C39 Cl6 -24.0(16) . . . . ?
C37 Cl5 C39 Cl6 -40.5(11) . . . . ?
Cl10 Cl5 C39 C38 104.9(11) . . . . ?
C37 Cl5 C39 C38 88.5(10) . . . . ?
Cl10 Cl5 C39 C37 16.5(10) . . . . ?
Cl10 Cl5 C39 Cl9 -19.9(10) . . . . ?
C37 Cl5 C39 Cl9 -36.3(6) . . . . ?
C37 Cl5 C39 Cl10 -16.5(10) . . . . ?
Cl5 Cl10 C39 Cl6 162.3(12) . . . . ?
C37 Cl10 C39 Cl6 -36.4(8) . . . . ?
Cl5 Cl10 C39 C38 -83.3(12) . . . . ?
C37 Cl10 C39 C38 78.0(10) . . . . ?
Cl5 Cl10 C39 C37 -161.3(11) . . . . ?
Cl5 Cl10 C39 Cl9 161.5(10) . . . . ?
C37 Cl10 C39 Cl9 -37.2(6) . . . . ?
C37 Cl10 C39 Cl5 161.3(11) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ru-35F2-TCNQMe-DCMDCE
_database_code_depnum_ccdc_archive 'CCDC 1837648'
_audit_update_record             
;
2018-06-06 deposited with the CCDC.
2018-06-19 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C72 H36 Cl4 F16 N4 O16 Ru4'
_chemical_formula_moiety         'C72 H36 Cl4 F16 N4 O16 Ru4'
_chemical_formula_weight         2063.16
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.537(3)
_cell_length_b                   14.504(5)
_cell_length_c                   15.711(5)
_cell_angle_alpha                91.729(18)
_cell_angle_beta                 110.860(16)
_cell_angle_gamma                103.26(2)
_cell_volume                     2167.2(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6560
_cell_measurement_theta_min      1.40
_cell_measurement_theta_max      31.40
_cell_measurement_temperature    116
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.056
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1012.00
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_T_max  0.951

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      116
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            14455
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.454
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             7474
_reflns_number_gt                5679
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
    The DELU and SIMU restraints were applied in a few atoms subgroups
    to fix their disordered positions or significantly thermally frequent
    positions.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0894
_refine_ls_wR_factor_ref         0.2627
_refine_ls_wR_factor_gt          0.2424
_refine_ls_number_restraints     132
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7474
_refine_ls_number_parameters     523
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1493P)²+13.6083P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.63
_refine_diff_density_min         -1.70
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . . .


#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 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_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
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_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
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) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ru-35F2-TCNQOEt-DCM
_database_code_depnum_ccdc_archive 'CCDC 1837649'
_audit_update_record             
;
2018-04-17 deposited with the CCDC.
2018-06-19 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C76 H44 Cl8 F16 N4 O18 Ru4'
_chemical_formula_moiety         'C76 H44 Cl8 F16 N4 O18 Ru4'
_chemical_formula_weight         2293.08
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
_space_group_IT_number           15
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
#------------------------------------------------------------------------------
_cell_length_a                   25.966(4)
_cell_length_b                   18.386(3)
_cell_length_c                   21.682(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 122.9352(18)
_cell_angle_gamma                90.0000
_cell_volume                     8688(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13481
_cell_measurement_theta_min      1.12
_cell_measurement_theta_max      31.57
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.194
_exptl_crystal_size_mid          0.174
_exptl_crystal_size_min          0.067
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4512.00
_exptl_absorpt_coefficient_mu    1.030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.869
_exptl_absorpt_correction_T_max  0.933

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            41635
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_theta_max         31.574
_diffrn_reflns_theta_min         1.449
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             12988
_reflns_number_gt                10200
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0656
_refine_ls_wR_factor_ref         0.1955
_refine_ls_wR_factor_gt          0.1793
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         12988
_refine_ls_number_parameters     649
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1008P)²+40.3461P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.19
_refine_diff_density_min         -1.67
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.48103(2) 0.04758(2) 0.51561(2) 0.02388(10) Uani 1 1 d . . . . .
Ru2 Ru 0.46858(2) 0.45437(2) 0.49646(2) 0.02353(10) Uani 1 1 d . . . . .
Cl1 Cl 0.1617(2) 0.2052(2) 0.30606(19) 0.0745(10) Uani 0.5 1 d . . P . .
Cl2 Cl 0.0559(4) 0.2581(3) 0.1686(5) 0.0422(17) Uani 0.3 1 d . . P . .
Cl3 Cl 0.0514(5) 0.2378(8) 0.1556(6) 0.061(4) Uani 0.2 1 d . . P . .
Cl4 Cl 0.0476(3) 0.4431(3) 0.2631(4) 0.1022(17) Uani 0.5 1 d . . P . .
Cl5 Cl 0.0786(2) 0.3986(3) 0.3144(3) 0.0885(13) Uani 0.5 1 d . . P . .
Cl6 Cl 0.37727(17) 0.20775(18) 0.35911(19) 0.0568(7) Uani 0.5 1 d . . P . .
Cl7 Cl 0.27901(17) 0.2826(3) 0.23243(18) 0.0746(10) Uani 0.5 1 d . . P . .
Cl8 Cl 0.2697(8) 0.2044(8) 0.3037(11) 0.134(6) Uani 0.2 1 d . . P . .
Cl9 Cl 0.3874(2) 0.2765(2) 0.3467(3) 0.0811(11) Uani 0.5 1 d . . P . .
Cl10 Cl 0.2793(3) 0.2045(4) 0.2392(3) 0.0726(16) Uani 0.3 1 d . . P . .
F1 F 0.3933(2) -0.1300(4) 0.7256(3) 0.132(3) Uani 1 1 d . . . . .
F2 F 0.4601(2) -0.3305(3) 0.6519(3) 0.120(2) Uani 1 1 d . . . . .
F3 F 0.18394(15) 0.0585(2) 0.2086(2) 0.0660(11) Uani 1 1 d . . . . .
F4 F 0.2617(3) -0.1277(4) 0.1420(3) 0.0657(18) Uani 0.62 1 d . . P . .
F5 F 0.21910(15) 0.6658(2) 0.4327(2) 0.0695(11) Uani 1 1 d . . . . .
F6 F 0.34666(18) 0.84801(19) 0.4354(3) 0.0702(11) Uani 1 1 d . . . . .
F7 F 0.33518(19) 0.3750(3) 0.1169(2) 0.0870(15) Uani 1 1 d . . . . .
F8 F 0.4206(2) 0.6035(2) 0.1390(2) 0.0781(13) Uani 1 1 d . . . . .
F4A F 0.2471(4) -0.1682(7) 0.1610(6) 0.064(3) Uani 0.38 1 d . . P . .
O1 O 0.46149(13) -0.02187(18) 0.57199(18) 0.0325(7) Uani 1 1 d . . . . .
O2 O 0.49807(14) -0.11569(17) 0.54104(19) 0.0341(7) Uani 1 1 d . . . . .
O3 O 0.39805(13) 0.02924(17) 0.42185(17) 0.0302(6) Uani 1 1 d . . . . .
O4 O 0.43557(13) -0.06406(17) 0.39203(17) 0.0305(6) Uani 1 1 d . . . . .
O5 O 0.40301(12) 0.53152(16) 0.47621(16) 0.0274(6) Uani 1 1 d . . . . .
O6 O 0.46510(13) 0.62103(17) 0.48279(18) 0.0314(7) Uani 1 1 d . . . . .
O7 O 0.43111(14) 0.44522(17) 0.38442(17) 0.0305(6) Uani 1 1 d . . . . .
O8 O 0.49226(14) 0.53643(18) 0.39272(17) 0.0323(7) Uani 1 1 d . . . . .
O9 O 0.30290(13) 0.11926(16) 0.5033(2) 0.0350(7) Uani 1 1 d . . . . .
N1 N 0.43593(17) 0.1386(2) 0.5362(3) 0.0412(10) Uani 1 1 d . . . . .
N2 N 0.40883(16) 0.3624(2) 0.4951(2) 0.0317(8) Uani 1 1 d . . . . .
C1 C 0.47412(18) -0.0888(3) 0.5740(3) 0.0342(9) Uani 1 1 d . . . . .
C2 C 0.4587(2) -0.1389(3) 0.6156(3) 0.0489(14) Uani 1 1 d . . . . .
C3 C 0.4333(3) -0.1103(5) 0.6520(3) 0.069(2) Uani 1 1 d . . . . .
H3 H 0.4271 -0.0595 0.6527 0.083 Uiso 1 1 calc R U . . .
C4 C 0.4171(3) -0.1591(7) 0.6874(4) 0.096(3) Uani 1 1 d . . . . .
C5 C 0.4237(4) -0.2320(7) 0.6868(6) 0.118(5) Uani 1 1 d . . . . .
H5 H 0.4107 -0.2637 0.7104 0.142 Uiso 1 1 calc R U . . .
C6 C 0.4503(3) -0.2589(5) 0.6502(5) 0.091(3) Uani 1 1 d . . . . .
C7 C 0.4683(3) -0.2128(4) 0.6148(4) 0.067(2) Uani 1 1 d . . . . .
H7 H 0.4869 -0.2315 0.5905 0.080 Uiso 1 1 calc R U . . .
C8 C 0.39247(17) -0.0209(2) 0.3789(2) 0.0276(8) Uani 1 1 d . . . . .
C9 C 0.3319(2) -0.0296(3) 0.3090(3) 0.0343(9) Uani 1 1 d . . . . .
C10 C 0.2849(2) 0.0197(3) 0.2921(3) 0.0423(11) Uani 1 1 d . . . . .
H10 H 0.2909 0.0575 0.3252 0.051 Uiso 1 1 calc R U . . .
C11 C 0.2298(2) 0.0114(3) 0.2261(3) 0.0485(13) Uani 1 1 d . . . . .
C12 C 0.2185(3) -0.0418(4) 0.1764(3) 0.0635(19) Uani 1 1 d . . . . .
H12 H 0.1799 -0.0466 0.1314 0.076 Uiso 1 1 calc R U . . .
C13 C 0.2665(3) -0.0881(5) 0.1957(4) 0.080(3) Uani 1 1 d . . . . .
C14 C 0.3229(3) -0.0841(4) 0.2607(3) 0.0606(18) Uani 1 1 d . . . . .
H14 H 0.3545 -0.1179 0.2718 0.073 Uiso 1 1 calc R U . . .
C15 C 0.41494(17) 0.5970(2) 0.4726(2) 0.0270(8) Uani 1 1 d . . . . .
C16 C 0.36737(19) 0.6536(3) 0.4569(2) 0.0327(9) Uani 1 1 d . . . . .
C17 C 0.3131(2) 0.6324(3) 0.4498(3) 0.0367(10) Uani 1 1 d . . . . .
H17 H 0.3045 0.5826 0.4522 0.044 Uiso 1 1 calc R U . . .
C18 C 0.2720(2) 0.6861(3) 0.4391(3) 0.0466(13) Uani 1 1 d . . . . .
C19 C 0.2817(3) 0.7588(3) 0.4349(4) 0.0554(15) Uani 1 1 d . . . . .
H19 H 0.2527 0.7945 0.4284 0.066 Uiso 1 1 calc R U . . .
C20 C 0.3360(3) 0.7774(3) 0.4406(4) 0.0508(13) Uani 1 1 d . . . . .
C21 C 0.3788(2) 0.7266(3) 0.4510(3) 0.0415(11) Uani 1 1 d . . . . .
H21 H 0.4154 0.7408 0.4541 0.050 Uiso 1 1 calc R U . . .
C22 C 0.45076(18) 0.4896(3) 0.3572(2) 0.0305(8) Uani 1 1 d . . . . .
C23 C 0.42357(19) 0.4888(3) 0.2756(2) 0.0377(10) Uani 1 1 d . . . . .
C24 C 0.3889(2) 0.4316(4) 0.2338(3) 0.0479(13) Uani 1 1 d . . . . .
H24 H 0.3792 0.3926 0.2546 0.058 Uiso 1 1 calc R U . . .
C25 C 0.3682(3) 0.4322(4) 0.1593(3) 0.0592(17) Uani 1 1 d . . . . .
C26 C 0.3805(3) 0.4885(4) 0.1268(3) 0.0605(18) Uani 1 1 d . . . . .
H26 H 0.3679 0.4869 0.0766 0.073 Uiso 1 1 calc R U . . .
C27 C 0.4117(3) 0.5460(4) 0.1706(3) 0.0539(16) Uani 1 1 d . . . . .
C28 C 0.4349(2) 0.5474(3) 0.2439(3) 0.0416(11) Uani 1 1 d . . . . .
H28 H 0.4583 0.5878 0.2731 0.050 Uiso 1 1 calc R U . . .
C29 C 0.40122(17) 0.1837(2) 0.5246(3) 0.0298(8) Uani 1 1 d . . . . .
C30 C 0.36482(18) 0.2454(2) 0.5121(2) 0.0266(8) Uani 1 1 d . . . . .
C31 C 0.38955(17) 0.3100(2) 0.5043(2) 0.0267(8) Uani 1 1 d . . . . .
C32 C 0.30743(17) 0.2472(2) 0.5069(2) 0.0268(8) Uani 1 1 d . . . . .
C33 C 0.27548(18) 0.1821(2) 0.5024(3) 0.0284(8) Uani 1 1 d . . . . .
C34 C 0.28041(17) 0.3141(2) 0.5038(2) 0.0284(8) Uani 1 1 d . . . . .
H34 H 0.3008 0.3578 0.5061 0.034 Uiso 1 1 calc R U . . .
C35 C 0.2710(2) 0.0523(2) 0.4942(3) 0.0405(12) Uani 1 1 d . . . . .
H35A H 0.2295 0.0541 0.4488 0.049 Uiso 1 1 calc R U . . .
H35B H 0.2667 0.0446 0.5364 0.049 Uiso 1 1 calc R U . . .
C36 C 0.3069(2) -0.0081(3) 0.4898(4) 0.0469(13) Uani 1 1 d . . . . .
H36A H 0.2857 -0.0543 0.4835 0.056 Uiso 1 1 calc R U . . .
H36B H 0.3107 -0.0002 0.4477 0.056 Uiso 1 1 calc R U . . .
H36C H 0.3478 -0.0097 0.5351 0.056 Uiso 1 1 calc R U . . .
C37 C 0.1209(5) 0.2040(5) 0.2107(6) 0.041(2) Uani 0.5 1 d . . P . .
C38 C -0.0029(14) 0.4038(19) 0.2767(12) 0.158(13) Uani 0.5 1 d . . P . .
C39 C 0.3280(6) 0.2835(8) 0.3306(6) 0.060(3) Uani 0.5 1 d . . P . .
C40 C 0.3390(8) 0.1983(10) 0.3238(10) 0.089(6) Uani 0.5 1 d . . P . .


#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.014(3) . ?
Ru1 O4 2.019(3) 5_656 ?
Ru1 O2 2.024(3) 5_656 ?
Ru1 O3 2.031(3) . ?
Ru1 N1 2.223(4) . ?
Ru1 Ru1 2.2835(6) 5_656 ?
Ru2 O8 2.044(3) 5_666 ?
Ru2 O6 2.061(3) 5_666 ?
Ru2 O5 2.071(3) . ?
Ru2 O7 2.075(3) . ?
Ru2 N2 2.284(4) . ?
Ru2 Ru2 2.2867(6) 5_666 ?
Cl1 C37 1.737(11) . ?
Cl2 C37 1.732(13) . ?
Cl3 C37 1.651(16) . ?
Cl4 C38 1.23(3) 2 ?
Cl4 Cl5 1.257(8) . ?
Cl4 C38 1.66(3) . ?
Cl4 Cl4 2.214(12) 2 ?
Cl5 C38 1.81(3) . ?
Cl5 C38 1.88(3) 2 ?
Cl6 C40 0.880(15) . ?
Cl6 Cl9 1.347(6) . ?
Cl6 C39 1.761(13) . ?
Cl6 Cl8 2.367(18) . ?
Cl6 Cl10 2.458(7) . ?
Cl7 Cl10 1.442(9) . ?
Cl7 C39 1.789(12) . ?
Cl7 Cl8 2.218(19) . ?
Cl8 Cl10 1.548(19) . ?
Cl8 C40 1.61(2) . ?
Cl8 C39 1.95(2) . ?
Cl9 C39 1.390(13) . ?
Cl9 C40 1.792(18) . ?
Cl10 C40 1.640(17) . ?
Cl10 C39 2.216(15) . ?
F1 C4 1.383(11) . ?
F2 C6 1.339(11) . ?
F3 C11 1.349(6) . ?
F4 F4A 1.020(13) . ?
F4 C13 1.321(8) . ?
F5 C18 1.356(5) . ?
F6 C20 1.344(7) . ?
F7 C25 1.352(8) . ?
F8 C27 1.345(7) . ?
F4A C13 1.606(13) . ?
O1 C1 1.268(6) . ?
O2 C1 1.275(6) . ?
O2 Ru1 2.024(3) 5_656 ?
O3 C8 1.261(5) . ?
O4 C8 1.272(5) . ?
O4 Ru1 2.019(3) 5_656 ?
O5 C15 1.257(5) . ?
O6 C15 1.276(4) . ?
O6 Ru2 2.061(3) 5_666 ?
O7 C22 1.266(5) . ?
O8 C22 1.262(5) . ?
O8 Ru2 2.044(3) 5_666 ?
O9 C33 1.352(5) . ?
O9 C35 1.436(5) . ?
N1 C29 1.148(5) . ?
N2 C31 1.152(5) . ?
C1 C2 1.488(6) . ?
C2 C3 1.378(9) . ?
C2 C7 1.384(10) . ?
C3 C4 1.387(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.352(16) . ?
C5 C6 1.396(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.485(6) . ?
C9 C14 1.374(8) . ?
C9 C10 1.400(7) . ?
C10 C11 1.376(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.364(9) . ?
C12 C13 1.373(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.505(6) . ?
C16 C17 1.388(6) . ?
C16 C21 1.395(7) . ?
C17 C18 1.377(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.371(8) . ?
C19 C20 1.391(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.373(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.507(6) . ?
C23 C24 1.360(8) . ?
C23 C28 1.392(7) . ?
C24 C25 1.398(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.385(10) . ?
C26 C27 1.357(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.361(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.405(5) . ?
C30 C31 1.404(5) . ?
C30 C32 1.432(5) . ?
C32 C34 1.400(5) . ?
C32 C33 1.428(5) . ?
C33 C34 1.385(5) 7_556 ?
C34 C33 1.385(5) 7_556 ?
C34 H34 0.9500 . ?
C35 C36 1.486(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C38 Cl4 1.23(3) 2 ?
C38 C38 1.24(4) 2 ?
C38 Cl5 1.88(3) 2 ?
C39 C40 1.61(2) . ?

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
O1 Ru1 O4 88.93(13) . 5_656 ?
O1 Ru1 O2 178.73(12) . 5_656 ?
O4 Ru1 O2 90.70(13) 5_656 5_656 ?
O1 Ru1 O3 91.27(13) . . ?
O4 Ru1 O3 178.61(12) 5_656 . ?
O2 Ru1 O3 89.07(13) 5_656 . ?
O1 Ru1 N1 91.20(15) . . ?
O4 Ru1 N1 94.92(14) 5_656 . ?
O2 Ru1 N1 90.04(15) 5_656 . ?
O3 Ru1 N1 86.45(14) . . ?
O1 Ru1 Ru1 89.18(9) . 5_656 ?
O4 Ru1 Ru1 90.35(9) 5_656 5_656 ?
O2 Ru1 Ru1 89.60(9) 5_656 5_656 ?
O3 Ru1 Ru1 88.28(9) . 5_656 ?
N1 Ru1 Ru1 174.72(11) . 5_656 ?
O8 Ru2 O6 88.65(13) 5_666 5_666 ?
O8 Ru2 O5 91.07(12) 5_666 . ?
O6 Ru2 O5 179.04(11) 5_666 . ?
O8 Ru2 O7 178.50(11) 5_666 . ?
O6 Ru2 O7 90.31(13) 5_666 . ?
O5 Ru2 O7 89.95(12) . . ?
O8 Ru2 N2 88.68(13) 5_666 . ?
O6 Ru2 N2 89.18(13) 5_666 . ?
O5 Ru2 N2 91.72(12) . . ?
O7 Ru2 N2 92.38(13) . . ?
O8 Ru2 Ru2 88.83(9) 5_666 5_666 ?
O6 Ru2 Ru2 89.89(8) 5_666 5_666 ?
O5 Ru2 Ru2 89.19(8) . 5_666 ?
O7 Ru2 Ru2 90.08(8) . 5_666 ?
N2 Ru2 Ru2 177.37(10) . 5_666 ?
C38 Cl4 Cl5 98.3(16) 2 . ?
C38 Cl4 C38 48.3(18) 2 . ?
Cl5 Cl4 C38 75.3(11) . . ?
C38 Cl4 Cl4 47.7(12) 2 2 ?
Cl5 Cl4 Cl4 108.4(4) . 2 ?
C38 Cl4 Cl4 33.4(12) . 2 ?
Cl4 Cl5 C38 62.4(8) . . ?
Cl4 Cl5 C38 40.4(12) . 2 ?
C38 Cl5 C38 39.3(12) . 2 ?
C40 Cl6 Cl9 105.2(12) . . ?
C40 Cl6 C39 65.8(14) . . ?
Cl9 Cl6 C39 51.0(5) . . ?
C40 Cl6 Cl8 24.7(16) . . ?
Cl9 Cl6 Cl8 103.2(5) . . ?
C39 Cl6 Cl8 53.9(6) . . ?
C40 Cl6 Cl10 17.6(13) . . ?
Cl9 Cl6 Cl10 90.8(3) . . ?
C39 Cl6 Cl10 60.7(5) . . ?
Cl8 Cl6 Cl10 37.4(5) . . ?
Cl10 Cl7 C39 85.9(6) . . ?
Cl10 Cl7 Cl8 44.0(4) . . ?
C39 Cl7 Cl8 57.0(7) . . ?
Cl10 Cl8 C40 62.5(9) . . ?
Cl10 Cl8 C39 77.8(9) . . ?
C40 Cl8 C39 52.9(10) . . ?
Cl10 Cl8 Cl7 40.3(5) . . ?
C40 Cl8 Cl7 72.8(9) . . ?
C39 Cl8 Cl7 50.4(6) . . ?
Cl10 Cl8 Cl6 74.5(7) . . ?
C40 Cl8 Cl6 13.2(8) . . ?
C39 Cl8 Cl6 46.9(6) . . ?
Cl7 Cl8 Cl6 77.9(6) . . ?
Cl6 Cl9 C39 80.1(7) . . ?
Cl6 Cl9 C40 28.3(5) . . ?
C39 Cl9 C40 59.4(9) . . ?
Cl7 Cl10 Cl8 95.7(7) . . ?
Cl7 Cl10 C40 97.6(8) . . ?
Cl8 Cl10 C40 60.6(10) . . ?
Cl7 Cl10 C39 53.7(4) . . ?
Cl8 Cl10 C39 59.2(8) . . ?
C40 Cl10 C39 46.6(8) . . ?
Cl7 Cl10 Cl6 91.7(3) . . ?
Cl8 Cl10 Cl6 68.1(7) . . ?
C40 Cl10 Cl6 9.3(7) . . ?
C39 Cl10 Cl6 43.9(3) . . ?
F4A F4 C13 85.6(9) . . ?
F4 F4A C13 55.1(7) . . ?
C1 O1 Ru1 119.4(3) . . ?
C1 O2 Ru1 118.3(3) . 5_656 ?
C8 O3 Ru1 119.6(2) . . ?
C8 O4 Ru1 117.8(3) . 5_656 ?
C15 O5 Ru2 117.9(2) . . ?
C15 O6 Ru2 117.3(3) . 5_666 ?
C22 O7 Ru2 116.2(3) . . ?
C22 O8 Ru2 119.2(3) . 5_666 ?
C33 O9 C35 118.1(3) . . ?
C29 N1 Ru1 159.5(4) . . ?
C31 N2 Ru2 166.6(3) . . ?
O1 C1 O2 123.6(4) . . ?
O1 C1 C2 118.2(4) . . ?
O2 C1 C2 118.2(5) . . ?
C3 C2 C7 121.8(6) . . ?
C3 C2 C1 118.7(6) . . ?
C7 C2 C1 119.4(6) . . ?
C2 C3 C4 117.0(9) . . ?
C2 C3 H3 121.5 . . ?
C4 C3 H3 121.5 . . ?
C5 C4 F1 119.3(7) . . ?
C5 C4 C3 123.9(9) . . ?
F1 C4 C3 116.8(10) . . ?
C4 C5 C6 117.4(7) . . ?
C4 C5 H5 121.3 . . ?
C6 C5 H5 121.3 . . ?
F2 C6 C7 120.1(10) . . ?
F2 C6 C5 118.5(7) . . ?
C7 C6 C5 121.3(9) . . ?
C6 C7 C2 118.5(9) . . ?
C6 C7 H7 120.8 . . ?
C2 C7 H7 120.8 . . ?
O3 C8 O4 123.9(4) . . ?
O3 C8 C9 117.8(4) . . ?
O4 C8 C9 118.4(4) . . ?
C14 C9 C10 120.7(5) . . ?
C14 C9 C8 120.3(4) . . ?
C10 C9 C8 119.0(4) . . ?
C11 C10 C9 117.8(5) . . ?
C11 C10 H10 121.1 . . ?
C9 C10 H10 121.1 . . ?
F3 C11 C12 117.4(5) . . ?
F3 C11 C10 118.8(5) . . ?
C12 C11 C10 123.8(5) . . ?
C11 C12 C13 115.7(5) . . ?
C11 C12 H12 122.1 . . ?
C13 C12 H12 122.1 . . ?
F4 C13 C12 116.0(6) . . ?
F4 C13 C14 118.0(6) . . ?
C12 C13 C14 124.4(6) . . ?
F4 C13 F4A 39.3(5) . . ?
C12 C13 F4A 115.1(7) . . ?
C14 C13 F4A 114.6(7) . . ?
C9 C14 C13 117.7(5) . . ?
C9 C14 H14 121.2 . . ?
C13 C14 H14 121.2 . . ?
O5 C15 O6 125.7(4) . . ?
O5 C15 C16 118.5(3) . . ?
O6 C15 C16 115.8(4) . . ?
C17 C16 C21 121.0(4) . . ?
C17 C16 C15 119.3(4) . . ?
C21 C16 C15 119.7(4) . . ?
C18 C17 C16 117.6(5) . . ?
C18 C17 H17 121.2 . . ?
C16 C17 H17 121.2 . . ?
F5 C18 C19 118.3(5) . . ?
F5 C18 C17 117.9(5) . . ?
C19 C18 C17 123.8(5) . . ?
C18 C19 C20 116.6(5) . . ?
C18 C19 H19 121.7 . . ?
C20 C19 H19 121.7 . . ?
F6 C20 C21 119.1(5) . . ?
F6 C20 C19 118.3(5) . . ?
C21 C20 C19 122.6(5) . . ?
C20 C21 C16 118.3(5) . . ?
C20 C21 H21 120.8 . . ?
C16 C21 H21 120.8 . . ?
O8 C22 O7 125.6(4) . . ?
O8 C22 C23 115.0(4) . . ?
O7 C22 C23 119.4(4) . . ?
C24 C23 C28 120.7(5) . . ?
C24 C23 C22 120.5(5) . . ?
C28 C23 C22 118.8(5) . . ?
C23 C24 C25 117.6(6) . . ?
C23 C24 H24 121.2 . . ?
C25 C24 H24 121.2 . . ?
F7 C25 C26 118.2(6) . . ?
F7 C25 C24 118.9(7) . . ?
C26 C25 C24 122.9(6) . . ?
C27 C26 C25 116.2(5) . . ?
C27 C26 H26 121.9 . . ?
C25 C26 H26 121.9 . . ?
F8 C27 C26 117.3(5) . . ?
F8 C27 C28 119.4(6) . . ?
C26 C27 C28 123.3(6) . . ?
C27 C28 C23 118.9(6) . . ?
C27 C28 H28 120.5 . . ?
C23 C28 H28 120.5 . . ?
N1 C29 C30 172.5(4) . . ?
C31 C30 C29 113.7(3) . . ?
C31 C30 C32 119.7(3) . . ?
C29 C30 C32 126.6(4) . . ?
N2 C31 C30 177.3(5) . . ?
C34 C32 C33 118.3(3) . . ?
C34 C32 C30 119.8(3) . . ?
C33 C32 C30 121.8(3) . . ?
O9 C33 C34 124.0(3) . 7_556 ?
O9 C33 C32 115.7(3) . . ?
C34 C33 C32 120.3(3) 7_556 . ?
C33 C34 C32 121.4(3) 7_556 . ?
C33 C34 H34 119.3 7_556 . ?
C32 C34 H34 119.3 . . ?
O9 C35 C36 108.4(4) . . ?
O9 C35 H35A 110.0 . . ?
C36 C35 H35A 110.0 . . ?
O9 C35 H35B 110.0 . . ?
C36 C35 H35B 110.0 . . ?
H35A C35 H35B 108.4 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Cl3 C37 Cl2 14.8(5) . . ?
Cl3 C37 Cl1 125.1(8) . . ?
Cl2 C37 Cl1 114.1(7) . . ?
Cl4 C38 C38 84(2) 2 2 ?
Cl4 C38 Cl4 98.9(17) 2 . ?
C38 C38 Cl4 48(2) 2 . ?
Cl4 C38 Cl5 140.4(19) 2 . ?
C38 C38 Cl5 74(3) 2 . ?
Cl4 C38 Cl5 42.3(8) . . ?
Cl4 C38 Cl5 41.3(9) 2 2 ?
C38 C38 Cl5 67(2) 2 2 ?
Cl4 C38 Cl5 108.1(10) . 2 ?
Cl5 C38 Cl5 140.2(14) . 2 ?
Cl9 C39 C40 72.8(8) . . ?
Cl9 C39 Cl6 48.9(4) . . ?
C40 C39 Cl6 29.8(6) . . ?
Cl9 C39 Cl7 105.8(8) . . ?
C40 C39 Cl7 85.9(9) . . ?
Cl6 C39 Cl7 108.7(7) . . ?
Cl9 C39 Cl8 125.5(10) . . ?
C40 C39 Cl8 52.7(9) . . ?
Cl6 C39 Cl8 79.1(8) . . ?
Cl7 C39 Cl8 72.7(8) . . ?
Cl9 C39 Cl10 100.3(7) . . ?
C40 C39 Cl10 47.6(7) . . ?
Cl6 C39 Cl10 75.4(5) . . ?
Cl7 C39 Cl10 40.5(4) . . ?
Cl8 C39 Cl10 43.0(6) . . ?
Cl6 C40 Cl8 142(2) . . ?
Cl6 C40 C39 84.4(15) . . ?
Cl8 C40 C39 74.3(12) . . ?
Cl6 C40 Cl10 153.1(19) . . ?
Cl8 C40 Cl10 56.9(9) . . ?
C39 C40 Cl10 85.8(10) . . ?
Cl6 C40 Cl9 46.5(9) . . ?
Cl8 C40 Cl9 122.1(14) . . ?
C39 C40 Cl9 47.8(7) . . ?
Cl10 C40 Cl9 110.4(10) . . ?

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
C38 Cl4 Cl5 C38 -42.9(17) 2 . . . ?
Cl4 Cl4 Cl5 C38 5.2(12) 2 . . . ?
C38 Cl4 Cl5 C38 42.9(17) . . . 2 ?
Cl4 Cl4 Cl5 C38 48.1(10) 2 . . 2 ?
C40 Cl6 Cl9 C39 40.0(17) . . . . ?
Cl8 Cl6 Cl9 C39 14.6(7) . . . . ?
Cl10 Cl6 Cl9 C39 50.2(6) . . . . ?
C39 Cl6 Cl9 C40 -40.0(17) . . . . ?
Cl8 Cl6 Cl9 C40 -25.4(16) . . . . ?
Cl10 Cl6 Cl9 C40 10.2(16) . . . . ?
C39 Cl7 Cl10 Cl8 44.6(9) . . . . ?
C39 Cl7 Cl10 C40 -16.4(9) . . . . ?
Cl8 Cl7 Cl10 C40 -61.0(10) . . . . ?
Cl8 Cl7 Cl10 C39 -44.6(9) . . . . ?
C39 Cl7 Cl10 Cl6 -23.6(5) . . . . ?
Cl8 Cl7 Cl10 Cl6 -68.2(7) . . . . ?
C40 Cl8 Cl10 Cl7 -95.6(9) . . . . ?
C39 Cl8 Cl10 Cl7 -41.2(6) . . . . ?
Cl6 Cl8 Cl10 Cl7 -89.5(4) . . . . ?
C39 Cl8 Cl10 C40 54.4(9) . . . . ?
Cl7 Cl8 Cl10 C40 95.6(9) . . . . ?
Cl6 Cl8 Cl10 C40 6.1(8) . . . . ?
C40 Cl8 Cl10 C39 -54.4(9) . . . . ?
Cl7 Cl8 Cl10 C39 41.2(6) . . . . ?
Cl6 Cl8 Cl10 C39 -48.3(5) . . . . ?
C40 Cl8 Cl10 Cl6 -6.1(8) . . . . ?
C39 Cl8 Cl10 Cl6 48.3(5) . . . . ?
Cl7 Cl8 Cl10 Cl6 89.5(4) . . . . ?
Ru1 O1 C1 O2 -1.1(6) . . . . ?
Ru1 O1 C1 C2 -179.5(3) . . . . ?
Ru1 O2 C1 O1 1.5(6) 5_656 . . . ?
Ru1 O2 C1 C2 180.0(3) 5_656 . . . ?
O1 C1 C2 C3 -2.0(7) . . . . ?
O2 C1 C2 C3 179.5(5) . . . . ?
O1 C1 C2 C7 175.8(5) . . . . ?
O2 C1 C2 C7 -2.7(7) . . . . ?
C7 C2 C3 C4 -0.6(9) . . . . ?
C1 C2 C3 C4 177.3(5) . . . . ?
C2 C3 C4 C5 -1.4(11) . . . . ?
C2 C3 C4 F1 178.2(6) . . . . ?
F1 C4 C5 C6 -177.4(7) . . . . ?
C3 C4 C5 C6 2.2(13) . . . . ?
C4 C5 C6 F2 176.7(7) . . . . ?
C4 C5 C6 C7 -1.1(12) . . . . ?
F2 C6 C7 C2 -178.5(6) . . . . ?
C5 C6 C7 C2 -0.8(11) . . . . ?
C3 C2 C7 C6 1.6(9) . . . . ?
C1 C2 C7 C6 -176.2(5) . . . . ?
Ru1 O3 C8 O4 3.3(6) . . . . ?
Ru1 O3 C8 C9 -176.6(3) . . . . ?
Ru1 O4 C8 O3 -3.5(5) 5_656 . . . ?
Ru1 O4 C8 C9 176.4(3) 5_656 . . . ?
O3 C8 C9 C14 -178.9(5) . . . . ?
O4 C8 C9 C14 1.2(7) . . . . ?
O3 C8 C9 C10 3.0(6) . . . . ?
O4 C8 C9 C10 -176.9(4) . . . . ?
C14 C9 C10 C11 0.2(8) . . . . ?
C8 C9 C10 C11 178.3(5) . . . . ?
C9 C10 C11 F3 -179.8(5) . . . . ?
C9 C10 C11 C12 0.0(9) . . . . ?
F3 C11 C12 C13 179.2(7) . . . . ?
C10 C11 C12 C13 -0.6(11) . . . . ?
F4A F4 C13 C12 -98.5(11) . . . . ?
F4A F4 C13 C14 95.4(11) . . . . ?
C11 C12 C13 F4 -164.0(8) . . . . ?
C11 C12 C13 C14 1.1(14) . . . . ?
C11 C12 C13 F4A 152.3(8) . . . . ?
F4 F4A C13 C12 101.1(10) . . . . ?
F4 F4A C13 C14 -104.8(10) . . . . ?
C10 C9 C14 C13 0.3(10) . . . . ?
C8 C9 C14 C13 -177.8(7) . . . . ?
F4 C13 C14 C9 163.9(8) . . . . ?
C12 C13 C14 C9 -0.9(14) . . . . ?
F4A C13 C14 C9 -152.2(8) . . . . ?
Ru2 O5 C15 O6 -2.4(6) . . . . ?
Ru2 O5 C15 C16 179.1(3) . . . . ?
Ru2 O6 C15 O5 2.1(6) 5_666 . . . ?
Ru2 O6 C15 C16 -179.4(3) 5_666 . . . ?
O5 C15 C16 C17 2.6(6) . . . . ?
O6 C15 C16 C17 -176.0(4) . . . . ?
O5 C15 C16 C21 -178.6(4) . . . . ?
O6 C15 C16 C21 2.9(6) . . . . ?
C21 C16 C17 C18 -2.1(7) . . . . ?
C15 C16 C17 C18 176.8(4) . . . . ?
C16 C17 C18 F5 -179.5(5) . . . . ?
C16 C17 C18 C19 0.3(9) . . . . ?
F5 C18 C19 C20 -179.1(6) . . . . ?
C17 C18 C19 C20 1.2(10) . . . . ?
C18 C19 C20 F6 178.9(6) . . . . ?
C18 C19 C20 C21 -0.9(10) . . . . ?
F6 C20 C21 C16 179.4(5) . . . . ?
C19 C20 C21 C16 -0.8(9) . . . . ?
C17 C16 C21 C20 2.3(8) . . . . ?
C15 C16 C21 C20 -176.5(5) . . . . ?
Ru2 O8 C22 O7 -1.6(6) 5_666 . . . ?
Ru2 O8 C22 C23 178.2(3) 5_666 . . . ?
Ru2 O7 C22 O8 2.7(6) . . . . ?
Ru2 O7 C22 C23 -177.1(3) . . . . ?
O8 C22 C23 C24 165.3(4) . . . . ?
O7 C22 C23 C24 -14.9(6) . . . . ?
O8 C22 C23 C28 -14.3(6) . . . . ?
O7 C22 C23 C28 165.5(4) . . . . ?
C28 C23 C24 C25 3.4(7) . . . . ?
C22 C23 C24 C25 -176.2(4) . . . . ?
C23 C24 C25 F7 178.0(5) . . . . ?
C23 C24 C25 C26 -1.1(8) . . . . ?
F7 C25 C26 C27 177.6(5) . . . . ?
C24 C25 C26 C27 -3.3(8) . . . . ?
C25 C26 C27 F8 -175.6(5) . . . . ?
C25 C26 C27 C28 5.5(8) . . . . ?
F8 C27 C28 C23 177.8(4) . . . . ?
C26 C27 C28 C23 -3.4(8) . . . . ?
C24 C23 C28 C27 -1.4(7) . . . . ?
C22 C23 C28 C27 178.3(4) . . . . ?
C31 C30 C32 C34 -8.5(7) . . . . ?
C29 C30 C32 C34 171.7(4) . . . . ?
C31 C30 C32 C33 169.6(4) . . . . ?
C29 C30 C32 C33 -10.2(7) . . . . ?
C35 O9 C33 C34 2.8(7) . . . 7_556 ?
C35 O9 C33 C32 -176.1(4) . . . . ?
C34 C32 C33 O9 178.1(4) . . . . ?
C30 C32 C33 O9 -0.1(7) . . . . ?
C34 C32 C33 C34 -0.9(7) . . . 7_556 ?
C30 C32 C33 C34 -179.0(4) . . . 7_556 ?
C33 C32 C34 C33 0.9(8) . . . 7_556 ?
C30 C32 C34 C33 179.1(4) . . . 7_556 ?
C33 O9 C35 C36 174.4(5) . . . . ?
C38 Cl4 C38 Cl4 -73(3) 2 . . 2 ?
Cl5 Cl4 C38 Cl4 171(2) . . . 2 ?
Cl5 Cl4 C38 C38 -115.7(18) . . . 2 ?
Cl4 Cl4 C38 C38 73(3) 2 . . 2 ?
C38 Cl4 C38 Cl5 115.7(18) 2 . . . ?
Cl4 Cl4 C38 Cl5 -171(2) 2 . . . ?
C38 Cl4 C38 Cl5 -32(3) 2 . . 2 ?
Cl5 Cl4 C38 Cl5 -147(2) . . . 2 ?
Cl4 Cl4 C38 Cl5 41.5(9) 2 . . 2 ?
Cl4 Cl5 C38 Cl4 -14(3) . . . 2 ?
C38 Cl5 C38 Cl4 -58(4) 2 . . 2 ?
Cl4 Cl5 C38 C38 44.1(9) . . . 2 ?
C38 Cl5 C38 Cl4 -44.1(9) 2 . . . ?
Cl4 Cl5 C38 Cl5 53(3) . . . 2 ?
C38 Cl5 C38 Cl5 9(3) 2 . . 2 ?
Cl6 Cl9 C39 C40 -20.7(8) . . . . ?
C40 Cl9 C39 Cl6 20.7(8) . . . . ?
Cl6 Cl9 C39 Cl7 -101.2(8) . . . . ?
C40 Cl9 C39 Cl7 -80.5(10) . . . . ?
Cl6 Cl9 C39 Cl8 -21.5(11) . . . . ?
C40 Cl9 C39 Cl8 -0.7(12) . . . . ?
Cl6 Cl9 C39 Cl10 -60.0(5) . . . . ?
C40 Cl9 C39 Cl10 -39.3(8) . . . . ?
C40 Cl6 C39 Cl9 -137.2(16) . . . . ?
Cl8 Cl6 C39 Cl9 -162.3(9) . . . . ?
Cl10 Cl6 C39 Cl9 -118.3(6) . . . . ?
Cl9 Cl6 C39 C40 137.2(16) . . . . ?
Cl8 Cl6 C39 C40 -25.2(16) . . . . ?
Cl10 Cl6 C39 C40 18.9(15) . . . . ?
C40 Cl6 C39 Cl7 -42.2(16) . . . . ?
Cl9 Cl6 C39 Cl7 95.0(8) . . . . ?
Cl8 Cl6 C39 Cl7 -67.4(9) . . . . ?
Cl10 Cl6 C39 Cl7 -23.3(5) . . . . ?
C40 Cl6 C39 Cl8 25.2(16) . . . . ?
Cl9 Cl6 C39 Cl8 162.3(9) . . . . ?
Cl10 Cl6 C39 Cl8 44.0(6) . . . . ?
C40 Cl6 C39 Cl10 -18.9(15) . . . . ?
Cl9 Cl6 C39 Cl10 118.3(6) . . . . ?
Cl8 Cl6 C39 Cl10 -44.0(6) . . . . ?
Cl10 Cl7 C39 Cl9 87.4(9) . . . . ?
Cl8 Cl7 C39 Cl9 123.0(10) . . . . ?
Cl10 Cl7 C39 C40 16.6(9) . . . . ?
Cl8 Cl7 C39 C40 52.1(9) . . . . ?
Cl10 Cl7 C39 Cl6 36.2(8) . . . . ?
Cl8 Cl7 C39 Cl6 71.7(8) . . . . ?
Cl10 Cl7 C39 Cl8 -35.5(5) . . . . ?
Cl8 Cl7 C39 Cl10 35.5(5) . . . . ?
Cl9 Cl6 C40 Cl8 -89(3) . . . . ?
C39 Cl6 C40 Cl8 -55(3) . . . . ?
Cl10 Cl6 C40 Cl8 -124(6) . . . . ?
Cl9 Cl6 C40 C39 -33.2(11) . . . . ?
Cl8 Cl6 C40 C39 55(3) . . . . ?
Cl10 Cl6 C40 C39 -69(4) . . . . ?
Cl9 Cl6 C40 Cl10 36(5) . . . . ?
C39 Cl6 C40 Cl10 69(4) . . . . ?
Cl8 Cl6 C40 Cl10 124(6) . . . . ?
C39 Cl6 C40 Cl9 33.2(11) . . . . ?
Cl8 Cl6 C40 Cl9 89(3) . . . . ?
Cl10 Cl6 C40 Cl9 -36(5) . . . . ?
Cl10 Cl8 C40 Cl6 154(3) . . . . ?
C39 Cl8 C40 Cl6 58(3) . . . . ?
Cl7 Cl8 C40 Cl6 111(3) . . . . ?
Cl10 Cl8 C40 C39 95.3(9) . . . . ?
Cl7 Cl8 C40 C39 52.9(6) . . . . ?
Cl6 Cl8 C40 C39 -58(3) . . . . ?
C39 Cl8 C40 Cl10 -95.3(9) . . . . ?
Cl7 Cl8 C40 Cl10 -42.4(5) . . . . ?
Cl6 Cl8 C40 Cl10 -154(3) . . . . ?
Cl10 Cl8 C40 Cl9 94.7(14) . . . . ?
C39 Cl8 C40 Cl9 -0.7(10) . . . . ?
Cl7 Cl8 C40 Cl9 52.3(12) . . . . ?
Cl6 Cl8 C40 Cl9 -59(3) . . . . ?
Cl9 C39 C40 Cl6 32.4(12) . . . . ?
Cl7 C39 C40 Cl6 140.4(15) . . . . ?
Cl8 C39 C40 Cl6 -148(2) . . . . ?
Cl10 C39 C40 Cl6 155(2) . . . . ?
Cl9 C39 C40 Cl8 -179.2(12) . . . . ?
Cl6 C39 C40 Cl8 148(2) . . . . ?
Cl7 C39 C40 Cl8 -71.3(10) . . . . ?
Cl10 C39 C40 Cl8 -56.7(9) . . . . ?
Cl9 C39 C40 Cl10 -122.5(10) . . . . ?
Cl6 C39 C40 Cl10 -155(2) . . . . ?
Cl7 C39 C40 Cl10 -14.6(8) . . . . ?
Cl8 C39 C40 Cl10 56.7(9) . . . . ?
Cl6 C39 C40 Cl9 -32.4(12) . . . . ?
Cl7 C39 C40 Cl9 108.0(8) . . . . ?
Cl8 C39 C40 Cl9 179.2(12) . . . . ?
Cl10 C39 C40 Cl9 122.5(10) . . . . ?
Cl7 Cl10 C40 Cl6 -51(5) . . . . ?
Cl8 Cl10 C40 Cl6 -143(5) . . . . ?
C39 Cl10 C40 Cl6 -69(4) . . . . ?
Cl7 Cl10 C40 Cl8 92.3(8) . . . . ?
C39 Cl10 C40 Cl8 74.0(11) . . . . ?
Cl6 Cl10 C40 Cl8 143(5) . . . . ?
Cl7 Cl10 C40 C39 18.3(10) . . . . ?
Cl8 Cl10 C40 C39 -74.0(11) . . . . ?
Cl6 Cl10 C40 C39 69(4) . . . . ?
Cl7 Cl10 C40 Cl9 -23.5(13) . . . . ?
Cl8 Cl10 C40 Cl9 -115.8(15) . . . . ?
C39 Cl10 C40 Cl9 -41.8(8) . . . . ?
Cl6 Cl10 C40 Cl9 27(4) . . . . ?
C39 Cl9 C40 Cl6 -132.6(18) . . . . ?
Cl6 Cl9 C40 Cl8 134(3) . . . . ?
C39 Cl9 C40 Cl8 0.9(13) . . . . ?
Cl6 Cl9 C40 C39 132.6(18) . . . . ?
Cl6 Cl9 C40 Cl10 -164(3) . . . . ?
C39 Cl9 C40 Cl10 63.8(11) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


