# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
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data_mo_160912d_0m
_database_code_depnum_ccdc_archive 'CCDC 1507730'
_audit_update_record             
;
2016-10-02 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;
_audit_creation_date             2016-09-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            RuCl(NCO)(DMSO)(Pic)
_chemical_name_systematic        'Ru WOCs'
_chemical_formula_moiety         '2(C19 H23 Cl N4 O3 Ru S), 3(C H2 Cl2)'
_chemical_formula_sum            'C41 H52 Cl8 N8 O6 Ru2 S2'
_chemical_formula_weight         1302.76
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   31.425(6)
_cell_length_b                   9.0156(18)
_cell_length_c                   34.410(5)
_cell_angle_alpha                90
_cell_angle_beta                 147.193(8)
_cell_angle_gamma                90
_cell_volume                     5282(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    297
_cell_measurement_theta_max      29.49
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.897
_shelx_estimated_absorpt_T_min   0.879
_exptl_absorpt_coefficient_mu    1.107
_exptl_absorpt_correction_T_max  0.8974
_exptl_absorpt_correction_T_min  0.8787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2632
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            19249
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.308
_diffrn_ambient_temperature      297
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4704
_reflns_number_total             5148
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.198
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5148
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0636
_refine_ls_restrained_S_all      1.233
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0314P)²+55.0782P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1517
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H21A(0.5) H21B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C10(H10A,H10B), C20(H20A,H20B), C21(H21A,H21B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C14(H14), C15(H15), C17(H17),
 C18(H18)
3.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.43818(3) 0.21219(6) 0.56766(2) 0.03624(15) Uani 1 1 d . . . . .
Cl1 Cl 0.56096(10) 0.0793(2) 0.63965(10) 0.0571(4) Uani 1 1 d . . . . .
S1 S 0.48978(9) 0.2220(2) 0.66663(8) 0.0467(4) Uani 1 1 d . . . . .
O1 O 0.3876(2) 0.0059(5) 0.5436(2) 0.0446(10) Uani 1 1 d . . . . .
O2 O 0.2901(3) -0.1492(6) 0.4793(3) 0.0727(16) Uani 1 1 d . . . . .
O3 O 0.4460(3) 0.2942(7) 0.6651(3) 0.0651(14) Uani 1 1 d . . . . .
N0AA N 0.3853(3) 0.1884(5) 0.4713(3) 0.0388(11) Uani 1 1 d . . . . .
N1 N 0.4790(3) 0.4190(6) 0.5804(3) 0.0419(11) Uani 1 1 d . . . . .
N2 N 0.3342(3) 0.4536(6) 0.5153(3) 0.0423(11) Uani 1 1 d . . . . .
N3 N 0.2712(3) 0.2479(5) 0.4620(3) 0.0357(10) Uani 1 1 d . . . . .
C1 C 0.3427(3) 0.3101(6) 0.5126(3) 0.0353(12) Uani 1 1 d . . . . .
C2 C 0.2184(4) 0.3544(8) 0.4339(4) 0.0519(16) Uani 1 1 d . . . . .
H2 H 0.1653 0.3393 0.3983 0.062 Uiso 1 1 calc R . . . .
C3 C 0.2571(4) 0.4835(8) 0.4671(4) 0.0521(16) Uani 1 1 d . . . . .
H3 H 0.2367 0.5742 0.4594 0.062 Uiso 1 1 calc R . . . .
C4 C 0.4006(4) 0.5545(7) 0.5693(4) 0.0498(15) Uani 1 1 d . . . . .
H4A H 0.4310 0.5289 0.6155 0.060 Uiso 1 1 calc R . . . .
H4B H 0.3810 0.6547 0.5578 0.060 Uiso 1 1 calc R . . . .
C5 C 0.4539(4) 0.5512(7) 0.5751(3) 0.0449(14) Uani 1 1 d . . . . .
C6 C 0.4778(4) 0.6845(7) 0.5774(4) 0.0569(18) Uani 1 1 d . . . . .
H6 H 0.4600 0.7733 0.5744 0.068 Uiso 1 1 calc R . . . .
C7 C 0.5271(5) 0.6866(9) 0.5841(5) 0.071(2) Uani 1 1 d . . . . .
H7 H 0.5441 0.7758 0.5865 0.086 Uiso 1 1 calc R . . . .
C8 C 0.5510(4) 0.5535(9) 0.5874(4) 0.064(2) Uani 1 1 d . . . . .
H8 H 0.5834 0.5514 0.5904 0.077 Uiso 1 1 calc R . . . .
C9 C 0.5269(4) 0.4216(8) 0.5860(4) 0.0548(17) Uani 1 1 d . . . . .
H9 H 0.5444 0.3322 0.5891 0.066 Uiso 1 1 calc R . . . .
C10 C 0.2517(4) 0.0951(7) 0.4378(3) 0.0453(14) Uani 1 1 d . . . . .
H10A H 0.2349 0.0918 0.3980 0.054 Uiso 1 1 calc R . . . .
H10B H 0.2068 0.0671 0.4191 0.054 Uiso 1 1 calc R . . . .
C11 C 0.3151(4) -0.0232(7) 0.4919(3) 0.0446(14) Uani 1 1 d . . . . .
C12 C 0.5135(5) 0.0404(9) 0.7017(5) 0.076(2) Uani 1 1 d . . . . .
H12A H 0.5448 0.0476 0.7489 0.114 Uiso 1 1 calc GR . . . .
H12B H 0.5424 -0.0115 0.7042 0.114 Uiso 1 1 calc GR . . . .
H12C H 0.4660 -0.0127 0.6710 0.114 Uiso 1 1 calc GR . . . .
C13 C 0.5855(4) 0.3001(13) 0.7410(4) 0.087(3) Uani 1 1 d . . . . .
H13A H 0.5828 0.4029 0.7317 0.130 Uiso 1 1 calc GR . . . .
H13B H 0.6186 0.2481 0.7483 0.130 Uiso 1 1 calc GR . . . .
H13C H 0.6070 0.2916 0.7832 0.130 Uiso 1 1 calc GR . . . .
C14 C 0.3967(4) 0.0654(8) 0.4589(4) 0.0517(16) Uani 1 1 d . . . . .
H14 H 0.4321 -0.0051 0.4951 0.062 Uiso 1 1 calc R . . . .
C15 C 0.3584(5) 0.0387(9) 0.3950(4) 0.0615(19) Uani 1 1 d . . . . .
H15 H 0.3694 -0.0472 0.3895 0.074 Uiso 1 1 calc R . . . .
C16 C 0.3043(4) 0.1379(9) 0.3394(4) 0.0566(17) Uani 1 1 d . . . . .
C17 C 0.2925(4) 0.2642(9) 0.3521(4) 0.0559(17) Uani 1 1 d . . . . .
H17 H 0.2568 0.3356 0.3164 0.067 Uiso 1 1 calc R . . . .
C18 C 0.3335(4) 0.2845(8) 0.4175(4) 0.0504(15) Uani 1 1 d . . . . .
H18 H 0.3243 0.3709 0.4246 0.060 Uiso 1 1 calc R . . . .
C19 C 0.2602(6) 0.1124(13) 0.2683(5) 0.091(3) Uani 1 1 d . . . . .
H19A H 0.2961 0.1161 0.2743 0.137 Uiso 1 1 calc GR . . . .
H19B H 0.2210 0.1880 0.2351 0.137 Uiso 1 1 calc GR . . . .
H19C H 0.2353 0.0169 0.2500 0.137 Uiso 1 1 calc GR . . . .
Cl2 Cl 0.3058(3) 0.6700(4) 0.3873(2) 0.1611(17) Uani 1 1 d . . . . .
Cl3 Cl 0.1614(3) 0.8245(8) 0.2715(3) 0.217(3) Uani 1 1 d . . . . .
C20 C 0.2148(10) 0.700(3) 0.3346(10) 0.203(9) Uani 1 1 d . . . . .
H20A H 0.1865 0.6063 0.3122 0.243 Uiso 1 1 calc R . . . .
H20B H 0.2192 0.7282 0.3652 0.243 Uiso 1 1 calc R . . . .
Cl4 Cl 0.0862(3) 0.7944(7) 0.3206(4) 0.210(3) Uani 1 1 d . . . . .
C21 C 0.0000 0.896(3) 0.2500 0.183(12) Uani 1 2 d S T P . .
H21A H 0.0048 0.9597 0.2311 0.220 Uiso 0.5 1 calc R . . . .
H21B H -0.0048 0.9597 0.2689 0.220 Uiso 0.5 1 calc R . . . .


_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 Cl1 2.5281(17) . ?
Ru1 S1 2.2256(17) . ?
Ru1 O1 2.112(4) . ?
Ru1 N0AA 2.131(5) . ?
Ru1 N1 2.091(5) . ?
Ru1 C1 1.955(6) . ?
S1 O3 1.482(5) . ?
S1 C12 1.784(8) . ?
S1 C13 1.776(8) . ?
O1 C11 1.270(7) . ?
O2 C11 1.234(8) . ?
N0AA C14 1.340(8) . ?
N0AA C18 1.327(8) . ?
N1 C5 1.355(8) . ?
N1 C9 1.347(8) . ?
N2 C1 1.339(7) . ?
N2 C3 1.391(8) . ?
N2 C4 1.455(8) . ?
N3 C1 1.347(7) . ?
N3 C2 1.384(8) . ?
N3 C10 1.452(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.343(10) . ?
C3 H3 0.9300 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.511(9) . ?
C5 C6 1.383(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.363(11) . ?
C7 H7 0.9300 . ?
C7 C8 1.370(12) . ?
C8 H8 0.9300 . ?
C8 C9 1.391(10) . ?
C9 H9 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.529(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14 0.9300 . ?
C14 C15 1.375(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.372(11) . ?
C16 C17 1.377(11) . ?
C16 C19 1.504(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.374(9) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
Cl2 C20 1.681(16) . ?
Cl3 C20 1.635(19) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
Cl4 C21 1.737(14) . ?
C21 Cl4 1.737(14) 2 ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?

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
S1 Ru1 Cl1 88.31(6) . . ?
O1 Ru1 Cl1 89.58(12) . . ?
O1 Ru1 S1 88.59(13) . . ?
O1 Ru1 N0AA 87.46(17) . . ?
N0AA Ru1 Cl1 91.66(14) . . ?
N0AA Ru1 S1 176.05(14) . . ?
N1 Ru1 Cl1 93.15(15) . . ?
N1 Ru1 S1 96.58(14) . . ?
N1 Ru1 O1 174.21(17) . . ?
N1 Ru1 N0AA 87.36(19) . . ?
C1 Ru1 Cl1 178.29(17) . . ?
C1 Ru1 S1 90.84(16) . . ?
C1 Ru1 O1 88.9(2) . . ?
C1 Ru1 N0AA 89.1(2) . . ?
C1 Ru1 N1 88.4(2) . . ?
O3 S1 Ru1 120.2(2) . . ?
O3 S1 C12 105.9(4) . . ?
O3 S1 C13 105.9(4) . . ?
C12 S1 Ru1 110.6(3) . . ?
C13 S1 Ru1 113.2(3) . . ?
C13 S1 C12 98.7(5) . . ?
C11 O1 Ru1 127.2(4) . . ?
C14 N0AA Ru1 120.7(4) . . ?
C18 N0AA Ru1 122.8(4) . . ?
C18 N0AA C14 116.1(6) . . ?
C5 N1 Ru1 124.8(4) . . ?
C9 N1 Ru1 117.4(5) . . ?
C9 N1 C5 117.3(6) . . ?
C1 N2 C3 110.6(5) . . ?
C1 N2 C4 122.5(5) . . ?
C3 N2 C4 126.3(6) . . ?
C1 N3 C2 109.3(5) . . ?
C1 N3 C10 125.3(5) . . ?
C2 N3 C10 125.2(5) . . ?
N2 C1 Ru1 127.0(4) . . ?
N2 C1 N3 106.3(5) . . ?
N3 C1 Ru1 126.7(4) . . ?
N3 C2 H2 126.0 . . ?
C3 C2 N3 108.0(5) . . ?
C3 C2 H2 126.0 . . ?
N2 C3 H3 127.1 . . ?
C2 C3 N2 105.8(6) . . ?
C2 C3 H3 127.1 . . ?
N2 C4 H4A 108.9 . . ?
N2 C4 H4B 108.9 . . ?
N2 C4 C5 113.4(5) . . ?
H4A C4 H4B 107.7 . . ?
C5 C4 H4A 108.9 . . ?
C5 C4 H4B 108.9 . . ?
N1 C5 C4 119.4(5) . . ?
N1 C5 C6 122.0(6) . . ?
C6 C5 C4 118.5(6) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.4(7) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 121.0 . . ?
C6 C7 C8 118.1(7) . . ?
C8 C7 H7 121.0 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0(7) . . ?
C9 C8 H8 120.0 . . ?
N1 C9 C8 122.1(7) . . ?
N1 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
N3 C10 H10A 107.8 . . ?
N3 C10 H10B 107.8 . . ?
N3 C10 C11 118.2(5) . . ?
H10A C10 H10B 107.1 . . ?
C11 C10 H10A 107.8 . . ?
C11 C10 H10B 107.8 . . ?
O1 C11 C10 121.9(6) . . ?
O2 C11 O1 123.1(6) . . ?
O2 C11 C10 114.9(6) . . ?
S1 C12 H12A 109.5 . . ?
S1 C12 H12B 109.5 . . ?
S1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
S1 C13 H13A 109.5 . . ?
S1 C13 H13B 109.5 . . ?
S1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N0AA C14 H14 118.5 . . ?
N0AA C14 C15 123.0(7) . . ?
C15 C14 H14 118.5 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(7) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C17 116.4(6) . . ?
C15 C16 C19 122.4(8) . . ?
C17 C16 C19 121.1(8) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 119.9(7) . . ?
C18 C17 H17 120.0 . . ?
N0AA C18 C17 124.0(7) . . ?
N0AA C18 H18 118.0 . . ?
C17 C18 H18 118.0 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Cl2 C20 H20A 108.0 . . ?
Cl2 C20 H20B 108.0 . . ?
Cl3 C20 Cl2 117.2(12) . . ?
Cl3 C20 H20A 108.0 . . ?
Cl3 C20 H20B 108.0 . . ?
H20A C20 H20B 107.2 . . ?
Cl4 C21 Cl4 116.4(15) . 2 ?
Cl4 C21 H21A 108.2 . . ?
Cl4 C21 H21A 108.2 2 . ?
Cl4 C21 H21B 108.2 2 . ?
Cl4 C21 H21B 108.2 . . ?
H21A C21 H21B 107.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 O1 C11 O2 175.8(5) . . . . ?
Ru1 O1 C11 C10 -0.3(8) . . . . ?
Ru1 N0AA C14 C15 174.0(5) . . . . ?
Ru1 N0AA C18 C17 -173.0(5) . . . . ?
Ru1 N1 C5 C4 8.5(8) . . . . ?
Ru1 N1 C5 C6 -173.8(5) . . . . ?
Ru1 N1 C9 C8 173.4(6) . . . . ?
N0AA C14 C15 C16 -1.6(11) . . . . ?
N1 C5 C6 C7 1.0(11) . . . . ?
N2 C4 C5 N1 -48.9(8) . . . . ?
N2 C4 C5 C6 133.4(6) . . . . ?
N3 C2 C3 N2 0.5(7) . . . . ?
N3 C10 C11 O1 -30.5(9) . . . . ?
N3 C10 C11 O2 153.2(6) . . . . ?
C1 N2 C3 C2 -1.1(7) . . . . ?
C1 N2 C4 C5 51.2(8) . . . . ?
C1 N3 C2 C3 0.2(7) . . . . ?
C1 N3 C10 C11 32.3(9) . . . . ?
C2 N3 C1 Ru1 -178.1(4) . . . . ?
C2 N3 C1 N2 -0.9(6) . . . . ?
C2 N3 C10 C11 -151.3(6) . . . . ?
C3 N2 C1 Ru1 178.4(4) . . . . ?
C3 N2 C1 N3 1.2(6) . . . . ?
C3 N2 C4 C5 -138.1(6) . . . . ?
C4 N2 C1 Ru1 -9.7(8) . . . . ?
C4 N2 C1 N3 173.1(5) . . . . ?
C4 N2 C3 C2 -172.6(6) . . . . ?
C4 C5 C6 C7 178.6(7) . . . . ?
C5 N1 C9 C8 0.7(10) . . . . ?
C5 C6 C7 C8 1.0(12) . . . . ?
C6 C7 C8 C9 -2.0(12) . . . . ?
C7 C8 C9 N1 1.2(12) . . . . ?
C9 N1 C5 C4 -179.5(6) . . . . ?
C9 N1 C5 C6 -1.8(9) . . . . ?
C10 N3 C1 Ru1 -1.3(8) . . . . ?
C10 N3 C1 N2 175.9(5) . . . . ?
C10 N3 C2 C3 -176.6(6) . . . . ?
C14 N0AA C18 C17 0.0(10) . . . . ?
C14 C15 C16 C17 1.4(11) . . . . ?
C14 C15 C16 C19 -179.1(8) . . . . ?
C15 C16 C17 C18 -0.6(10) . . . . ?
C16 C17 C18 N0AA -0.1(11) . . . . ?
C18 N0AA C14 C15 0.9(10) . . . . ?
C19 C16 C17 C18 179.9(7) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    
', Moisture-sensitive,Hygroscopic,Oxygen-sensitive'
