# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_BDU_RAMESH_PRTH_28022023_0m
_database_code_depnum_ccdc_archive 'CCDC 2246503'
_audit_update_record             
;
2023-03-07 deposited with the CCDC.	2024-07-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            INORGANIC
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H21 Cl N2 O Ru S2'
_chemical_formula_sum            'C20 H21 Cl N2 O Ru S2'
_chemical_formula_weight         506.03

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.7107(12)
_cell_length_b                   19.424(3)
_cell_length_c                   14.081(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.242(5)
_cell_angle_gamma                90
_cell_volume                     2096.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9887
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      30.09

_exptl_crystal_description       Block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    1.087
_shelx_estimated_absorpt_T_min   0.822
_shelx_estimated_absorpt_T_max   0.822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5660
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST SCXRD'
_diffrn_measurement_method       'Omega and Phi Scans'
_diffrn_detector_area_resol_mean 7.3910
_diffrn_reflns_number            23526
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.552
_diffrn_reflns_theta_max         30.117
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             5991
_reflns_number_gt                5332
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Apex3 v2017.3-0 (Bruker, 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 924)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0442P)²+1.5198P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5991
_refine_ls_number_parameters     247
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0972
_refine_ls_wR_factor_gt          0.0924
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.64858(2) 0.50756(2) 0.18441(2) 0.03469(7) Uani 1 1 d . . . . .
Cl1 Cl 0.35295(7) 0.47093(4) 0.19455(4) 0.04604(14) Uani 1 1 d . . . . .
S1 S 0.8108(2) 0.45205(10) 0.54174(8) 0.1247(6) Uani 1 1 d . . . . .
S2 S 0.39276(14) 0.76360(6) 0.27721(12) 0.1060(5) Uani 1 1 d . . . . .
O1 O 0.5368(2) 0.60066(9) 0.14335(13) 0.0455(4) Uani 1 1 d . . . . .
N1 N 0.6248(3) 0.55735(12) 0.31484(15) 0.0475(5) Uani 1 1 d . . . . .
N2 N 0.5681(3) 0.62534(13) 0.30501(19) 0.0571(6) Uani 1 1 d . . . . .
C1 C 0.6409(6) 0.33344(18) 0.1655(3) 0.0790(10) Uani 1 1 d . . . . .
H1A H 0.522453 0.335875 0.136613 0.119 Uiso 1 1 calc R U . . .
H1B H 0.642165 0.324009 0.232509 0.119 Uiso 1 1 calc R U . . .
H1C H 0.700947 0.297337 0.135926 0.119 Uiso 1 1 calc R U . . .
C2 C 0.7308(4) 0.40117(15) 0.1522(2) 0.0537(6) Uani 1 1 d . . . . .
C3 C 0.8508(3) 0.42966(16) 0.2234(2) 0.0523(6) Uani 1 1 d . . . . .
H3 H 0.859600 0.409707 0.287701 0.063 Uiso 1 1 calc R U . . .
C4 C 0.9286(3) 0.49411(15) 0.2111(2) 0.0497(6) Uani 1 1 d . . . . .
H4 H 0.991147 0.516740 0.266854 0.060 Uiso 1 1 calc R U . . .
C5 C 0.8943(3) 0.53216(15) 0.12540(17) 0.0433(5) Uani 1 1 d . . . . .
C6 C 0.7742(3) 0.50258(13) 0.05297(17) 0.0443(5) Uani 1 1 d . . . . .
H6 H 0.728343 0.531528 -0.001001 0.053 Uiso 1 1 calc R U . . .
C7 C 0.6926(3) 0.43910(14) 0.06604(19) 0.0488(6) Uani 1 1 d . . . . .
H7 H 0.593096 0.425233 0.020856 0.059 Uiso 1 1 calc R U . . .
C8 C 0.9854(4) 0.60051(17) 0.1118(2) 0.0557(7) Uani 1 1 d . . . . .
H8 H 1.106613 0.589409 0.103120 0.067 Uiso 1 1 calc R U . . .
C9 C 0.9128(6) 0.6393(2) 0.0242(3) 0.0786(10) Uani 1 1 d . . . . .
H9A H 0.922979 0.611568 -0.031398 0.118 Uiso 1 1 calc R U . . .
H9B H 0.976754 0.681297 0.019610 0.118 Uiso 1 1 calc R U . . .
H9C H 0.792102 0.649669 0.028314 0.118 Uiso 1 1 calc R U . . .
C10 C 0.9920(6) 0.6465(2) 0.1996(3) 0.0878(13) Uani 1 1 d . . . . .
H10A H 1.053758 0.688098 0.188331 0.132 Uiso 1 1 calc R U . . .
H10B H 1.051061 0.622815 0.253610 0.132 Uiso 1 1 calc R U . . .
H10C H 0.875401 0.657575 0.212291 0.132 Uiso 1 1 calc R U . . .
C11 C 0.7713(8) 0.3667(3) 0.5351(4) 0.1169(19) Uani 1 1 d . . . . .
H11 H 0.816854 0.335099 0.580750 0.140 Uiso 1 1 calc R U . . .
C12 C 0.6672(6) 0.3501(3) 0.4569(3) 0.0888(12) Uani 1 1 d . . . . .
H12 H 0.633089 0.305105 0.441750 0.107 Uiso 1 1 calc R U . . .
C13 C 0.6144(4) 0.40646(18) 0.4001(2) 0.0583(7) Uani 1 1 d . . . . .
H13 H 0.539863 0.403238 0.343702 0.070 Uiso 1 1 calc R U . . .
C14 C 0.6845(4) 0.4678(2) 0.43622(19) 0.0633(8) Uani 1 1 d . . . . .
C15 C 0.6510(4) 0.53733(19) 0.4030(2) 0.0608(8) Uani 1 1 d . . . . .
H15 H 0.648015 0.571148 0.449550 0.073 Uiso 1 1 calc R U . . .
C16 C 0.5227(3) 0.64053(13) 0.2151(2) 0.0501(6) Uani 1 1 d . . . . .
C17 C 0.4472(4) 0.70914(15) 0.1926(3) 0.0652(9) Uani 1 1 d . . . . .
C18 C 0.4047(4) 0.73528(13) 0.0983(3) 0.0584(7) Uani 1 1 d . . . . .
H18 H 0.422707 0.713998 0.041006 0.070 Uiso 1 1 calc R U . . .
C19 C 0.3265(7) 0.8030(2) 0.1113(6) 0.121(2) Uani 1 1 d . . . . .
H19 H 0.286668 0.830881 0.059729 0.146 Uiso 1 1 calc R U . . .
C20 C 0.3164(6) 0.8215(2) 0.1976(6) 0.125(3) Uani 1 1 d . . . . .
H20 H 0.270377 0.863593 0.214021 0.150 Uiso 1 1 calc R U . . .


_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 2.0589(17) . ?
Ru1 N1 2.101(2) . ?
Ru1 C4 2.167(3) . ?
Ru1 C6 2.182(2) . ?
Ru1 C7 2.188(2) . ?
Ru1 C3 2.200(3) . ?
Ru1 C5 2.203(2) . ?
Ru1 C2 2.223(3) . ?
Ru1 Cl1 2.4070(7) . ?
S1 C11 1.685(7) . ?
S1 C14 1.713(3) . ?
S2 C20 1.651(7) . ?
S2 C17 1.680(3) . ?
O1 C16 1.287(3) . ?
N1 C15 1.296(4) . ?
N1 N2 1.393(4) . ?
N2 C16 1.310(4) . ?
C1 C2 1.508(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.403(4) . ?
C2 C7 1.422(4) . ?
C3 C4 1.407(4) . ?
C3 H3 0.9800 . ?
C4 C5 1.415(4) . ?
C4 H4 0.9800 . ?
C5 C6 1.422(4) . ?
C5 C8 1.523(4) . ?
C6 C7 1.405(4) . ?
C6 H6 0.9800 . ?
C7 H7 0.9800 . ?
C8 C9 1.501(5) . ?
C8 C10 1.521(5) . ?
C8 H8 0.9800 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.330(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.392(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.382(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.443(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.475(4) . ?
C17 C18 1.427(5) . ?
C18 C19 1.468(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.278(9) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?

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 N1 76.55(9) . . ?
O1 Ru1 C4 122.24(10) . . ?
N1 Ru1 C4 94.83(10) . . ?
O1 Ru1 C6 90.67(8) . . ?
N1 Ru1 C6 148.29(9) . . ?
C4 Ru1 C6 67.41(10) . . ?
O1 Ru1 C7 114.52(9) . . ?
N1 Ru1 C7 168.91(10) . . ?
C4 Ru1 C7 79.88(10) . . ?
C6 Ru1 C7 37.52(10) . . ?
O1 Ru1 C3 159.77(10) . . ?
N1 Ru1 C3 103.02(10) . . ?
C4 Ru1 C3 37.59(11) . . ?
C6 Ru1 C3 79.24(10) . . ?
C7 Ru1 C3 66.89(10) . . ?
O1 Ru1 C5 93.14(9) . . ?
N1 Ru1 C5 112.98(9) . . ?
C4 Ru1 C5 37.78(10) . . ?
C6 Ru1 C5 37.85(9) . . ?
C7 Ru1 C5 68.48(10) . . ?
C3 Ru1 C5 68.15(11) . . ?
O1 Ru1 C2 151.55(10) . . ?
N1 Ru1 C2 131.33(11) . . ?
C4 Ru1 C2 67.80(11) . . ?
C6 Ru1 C2 67.84(10) . . ?
C7 Ru1 C2 37.61(11) . . ?
C3 Ru1 C2 36.98(11) . . ?
C5 Ru1 C2 81.28(11) . . ?
O1 Ru1 Cl1 84.60(5) . . ?
N1 Ru1 Cl1 84.88(6) . . ?
C4 Ru1 Cl1 152.42(8) . . ?
C6 Ru1 Cl1 123.21(7) . . ?
C7 Ru1 Cl1 95.28(8) . . ?
C3 Ru1 Cl1 115.60(8) . . ?
C5 Ru1 Cl1 161.02(7) . . ?
C2 Ru1 Cl1 91.74(8) . . ?
C11 S1 C14 92.6(2) . . ?
C20 S2 C17 92.6(3) . . ?
C16 O1 Ru1 112.11(18) . . ?
C15 N1 N2 113.2(2) . . ?
C15 N1 Ru1 132.8(2) . . ?
N2 N1 Ru1 113.94(17) . . ?
C16 N2 N1 111.0(2) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C7 117.7(3) . . ?
C3 C2 C1 122.1(3) . . ?
C7 C2 C1 120.2(3) . . ?
C3 C2 Ru1 70.60(16) . . ?
C7 C2 Ru1 69.84(15) . . ?
C1 C2 Ru1 129.8(2) . . ?
C2 C3 C4 121.3(3) . . ?
C2 C3 Ru1 72.42(15) . . ?
C4 C3 Ru1 69.94(15) . . ?
C2 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
Ru1 C3 H3 118.6 . . ?
C3 C4 C5 121.8(3) . . ?
C3 C4 Ru1 72.47(15) . . ?
C5 C4 Ru1 72.49(14) . . ?
C3 C4 H4 118.6 . . ?
C5 C4 H4 118.6 . . ?
Ru1 C4 H4 118.6 . . ?
C4 C5 C6 116.6(3) . . ?
C4 C5 C8 121.1(2) . . ?
C6 C5 C8 122.4(2) . . ?
C4 C5 Ru1 69.73(14) . . ?
C6 C5 Ru1 70.30(14) . . ?
C8 C5 Ru1 131.55(18) . . ?
C7 C6 C5 121.8(2) . . ?
C7 C6 Ru1 71.44(14) . . ?
C5 C6 Ru1 71.85(13) . . ?
C7 C6 H6 118.4 . . ?
C5 C6 H6 118.4 . . ?
Ru1 C6 H6 118.4 . . ?
C6 C7 C2 120.8(3) . . ?
C6 C7 Ru1 71.05(14) . . ?
C2 C7 Ru1 72.55(15) . . ?
C6 C7 H7 119.1 . . ?
C2 C7 H7 119.1 . . ?
Ru1 C7 H7 119.1 . . ?
C9 C8 C10 110.5(3) . . ?
C9 C8 C5 113.8(3) . . ?
C10 C8 C5 112.7(3) . . ?
C9 C8 H8 106.4 . . ?
C10 C8 H8 106.4 . . ?
C5 C8 H8 106.4 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 S1 112.0(4) . . ?
C12 C11 H11 124.0 . . ?
S1 C11 H11 124.0 . . ?
C11 C12 C13 113.4(5) . . ?
C11 C12 H12 123.3 . . ?
C13 C12 H12 123.3 . . ?
C14 C13 C12 112.9(3) . . ?
C14 C13 H13 123.6 . . ?
C12 C13 H13 123.6 . . ?
C13 C14 C15 129.7(3) . . ?
C13 C14 S1 109.2(3) . . ?
C15 C14 S1 120.9(3) . . ?
N1 C15 C14 126.5(3) . . ?
N1 C15 H15 116.7 . . ?
C14 C15 H15 116.7 . . ?
O1 C16 N2 125.9(3) . . ?
O1 C16 C17 116.1(3) . . ?
N2 C16 C17 118.0(3) . . ?
C18 C17 C16 124.5(3) . . ?
C18 C17 S2 112.7(2) . . ?
C16 C17 S2 122.7(3) . . ?
C17 C18 C19 105.0(4) . . ?
C17 C18 H18 127.5 . . ?
C19 C18 H18 127.5 . . ?
C20 C19 C18 116.0(5) . . ?
C20 C19 H19 122.0 . . ?
C18 C19 H19 122.0 . . ?
C19 C20 S2 113.6(3) . . ?
C19 C20 H20 123.2 . . ?
S2 C20 H20 123.2 . . ?

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
C15 N1 N2 C16 -172.1(2) . . . . ?
Ru1 N1 N2 C16 7.4(3) . . . . ?
C7 C2 C3 C4 1.1(4) . . . . ?
C1 C2 C3 C4 -177.6(3) . . . . ?
Ru1 C2 C3 C4 -52.2(2) . . . . ?
C7 C2 C3 Ru1 53.3(2) . . . . ?
C1 C2 C3 Ru1 -125.5(3) . . . . ?
C2 C3 C4 C5 -2.2(4) . . . . ?
Ru1 C3 C4 C5 -55.4(2) . . . . ?
C2 C3 C4 Ru1 53.3(2) . . . . ?
C3 C4 C5 C6 1.3(4) . . . . ?
Ru1 C4 C5 C6 -54.11(19) . . . . ?
C3 C4 C5 C8 -177.5(2) . . . . ?
Ru1 C4 C5 C8 127.1(2) . . . . ?
C3 C4 C5 Ru1 55.4(2) . . . . ?
C4 C5 C6 C7 0.5(3) . . . . ?
C8 C5 C6 C7 179.3(2) . . . . ?
Ru1 C5 C6 C7 -53.3(2) . . . . ?
C4 C5 C6 Ru1 53.82(19) . . . . ?
C8 C5 C6 Ru1 -127.4(2) . . . . ?
C5 C6 C7 C2 -1.4(4) . . . . ?
Ru1 C6 C7 C2 -55.0(2) . . . . ?
C5 C6 C7 Ru1 53.5(2) . . . . ?
C3 C2 C7 C6 0.6(4) . . . . ?
C1 C2 C7 C6 179.4(3) . . . . ?
Ru1 C2 C7 C6 54.3(2) . . . . ?
C3 C2 C7 Ru1 -53.7(2) . . . . ?
C1 C2 C7 Ru1 125.1(3) . . . . ?
C4 C5 C8 C9 -170.5(3) . . . . ?
C6 C5 C8 C9 10.7(4) . . . . ?
Ru1 C5 C8 C9 -80.9(3) . . . . ?
C4 C5 C8 C10 -43.7(4) . . . . ?
C6 C5 C8 C10 137.6(3) . . . . ?
Ru1 C5 C8 C10 45.9(4) . . . . ?
C14 S1 C11 C12 0.0(5) . . . . ?
S1 C11 C12 C13 -0.7(6) . . . . ?
C11 C12 C13 C14 1.2(6) . . . . ?
C12 C13 C14 C15 -174.5(3) . . . . ?
C12 C13 C14 S1 -1.2(4) . . . . ?
C11 S1 C14 C13 0.7(3) . . . . ?
C11 S1 C14 C15 174.7(3) . . . . ?
N2 N1 C15 C14 170.2(3) . . . . ?
Ru1 N1 C15 C14 -9.3(5) . . . . ?
C13 C14 C15 N1 -37.9(5) . . . . ?
S1 C14 C15 N1 149.5(3) . . . . ?
Ru1 O1 C16 N2 -1.6(3) . . . . ?
Ru1 O1 C16 C17 178.77(17) . . . . ?
N1 N2 C16 O1 -4.0(4) . . . . ?
N1 N2 C16 C17 175.6(2) . . . . ?
O1 C16 C17 C18 -5.7(4) . . . . ?
N2 C16 C17 C18 174.7(3) . . . . ?
O1 C16 C17 S2 171.1(2) . . . . ?
N2 C16 C17 S2 -8.5(4) . . . . ?
C20 S2 C17 C18 -0.5(3) . . . . ?
C20 S2 C17 C16 -177.7(3) . . . . ?
C16 C17 C18 C19 177.3(3) . . . . ?
S2 C17 C18 C19 0.2(4) . . . . ?
C17 C18 C19 C20 0.3(6) . . . . ?
C18 C19 C20 S2 -0.7(6) . . . . ?
C17 S2 C20 C19 0.7(4) . . . . ?

_refine_diff_density_max         0.780
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.069



