# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1477975'
_audit_update_record             
;
2016-05-04 deposited with the CCDC.
2017-11-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H24 Cl3 N O2 Ru'
_chemical_formula_sum            'C24 H24 Cl3 N O2 Ru'
_chemical_formula_weight         565.86

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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'

_cell_length_a                   16.8227(12)
_cell_length_b                   11.3329(8)
_cell_length_c                   25.1614(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4797.0(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5987
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      28.3

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_F_000             2288
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_exptl_absorpt_coefficient_mu    1.009
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.6720
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       circular
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            187266
_diffrn_reflns_av_unetI/netI     0.0119
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.313
_diffrn_reflns_theta_max         28.348
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5987
_reflns_number_gt                5064
_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       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'APEX2 (Bruker, 2014); SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014);XPREP(Sheldrick,2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep, Platon'
_computing_publication_material  ?

_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)+(0.0328P)²+3.5124P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5987
_refine_ls_number_parameters     352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0741
_refine_ls_wR_factor_gt          0.0693
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.079
_refine_ls_shift/su_mean         0.003

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 0.08420(2) 0.03174(2) 0.24518(2) 0.03075(6) Uani 1 1 d . . . . .
Cl3 Cl 0.12029(5) -0.11348(6) 0.30854(3) 0.06226(19) Uani 1 1 d . . . . .
O1 O 0.07461(8) 0.14799(15) 0.31297(6) 0.0447(4) Uani 1 1 d . . . . .
N1 N 0.05436(12) 0.19029(16) 0.42613(8) 0.0408(4) Uani 1 1 d . . . . .
O3 O 0.18800(9) 0.12244(14) 0.27414(6) 0.0423(3) Uani 1 1 d . . . . .
C21 C 0.11305(14) -0.0082(2) 0.16328(9) 0.0404(5) Uani 1 1 d . . . . .
C20 C 0.08475(15) 0.1100(2) 0.16710(9) 0.0438(5) Uani 1 1 d . . . . .
C17 C 0.01233(14) 0.1366(2) 0.19158(9) 0.0433(5) Uani 1 1 d . . . . .
C16 C -0.03557(13) 0.0459(2) 0.21382(9) 0.0420(5) Uani 1 1 d . . . . .
C18 C -0.00920(13) -0.0712(2) 0.20862(9) 0.0410(5) Uani 1 1 d . . . . .
C19 C 0.06380(14) -0.0981(2) 0.18341(9) 0.0396(5) Uani 1 1 d . . . . .
C15 C -0.10921(17) 0.0750(3) 0.24522(11) 0.0604(7) Uani 1 1 d . . . . .
H15A H -0.1182 0.1604 0.2444 0.091 Uiso 1 1 calc R U . . .
H15B H -0.1550 0.0344 0.2296 0.091 Uiso 1 1 calc R U . . .
H15C H -0.1023 0.0491 0.2821 0.091 Uiso 1 1 calc R U . . .
C22 C 0.19378(16) -0.0333(3) 0.13909(11) 0.0555(6) Uani 1 1 d . . . . .
C24 C 0.2388(2) -0.1299(4) 0.16740(17) 0.0790(10) Uani 1 1 d . . . . .
C23 C 0.1829(2) -0.0613(3) 0.08005(12) 0.0760(9) Uani 1 1 d . . . . .
H23A H 0.1535 0.0030 0.0629 0.114 Uiso 1 1 calc R U . . .
H23B H 0.2351 -0.0697 0.0632 0.114 Uiso 1 1 calc R U . . .
H23C H 0.1531 -0.1351 0.0762 0.114 Uiso 1 1 calc R U . . .
C1 C 0.14948(12) 0.16336(18) 0.31287(8) 0.0361(4) Uani 1 1 d . . . . .
C2 C 0.19111(13) 0.2224(2) 0.35868(9) 0.0398(5) Uani 1 1 d . . . . .
C3 C 0.14765(12) 0.32466(18) 0.38387(8) 0.0340(4) Uani 1 1 d . . . . .
C8 C 0.08168(12) 0.30703(17) 0.41693(8) 0.0340(4) Uani 1 1 d . . . . .
C9 C 0.00067(14) 0.16500(18) 0.46668(8) 0.0395(5) Uani 1 1 d . . . . .
C10 C 0.02067(15) 0.1789(2) 0.52053(9) 0.0461(5) Uani 1 1 d . . . . .
C12 C -0.0326(2) 0.1549(2) 0.56065(11) 0.0595(7) Uani 1 1 d . . . . .
C14 C -0.1062(2) 0.1132(3) 0.54906(12) 0.0664(8) Uani 1 1 d . . . . .
C13 C -0.12821(19) 0.0938(3) 0.49736(13) 0.0627(7) Uani 1 1 d . . . . .
C11 C -0.07471(15) 0.1197(2) 0.45686(10) 0.0478(5) Uani 1 1 d . . . . .
C7 C 0.04495(15) 0.40326(19) 0.44035(9) 0.0412(5) Uani 1 1 d . . . . .
C6 C 0.07329(16) 0.5159(2) 0.43202(10) 0.0474(6) Uani 1 1 d . . . . .
C5 C 0.13812(17) 0.5342(2) 0.40000(11) 0.0500(6) Uani 1 1 d . . . . .
C4 C 0.17478(13) 0.4389(2) 0.37598(9) 0.0421(5) Uani 1 1 d . . . . .
Cl2 Cl 0.11541(5) 0.22618(7) 0.53687(3) 0.06563(19) Uani 1 1 d . . . . .
Cl1 Cl -0.10212(5) 0.09337(7) 0.39142(3) 0.0683(2) Uani 1 1 d . . . . .
H2A H 0.1970(14) 0.161(2) 0.3839(9) 0.042(6) Uiso 1 1 d . . . . .
H2B H 0.2407(15) 0.248(2) 0.3452(10) 0.050(7) Uiso 1 1 d . . . . .
H18 H -0.0353(13) -0.131(2) 0.2258(9) 0.036(6) Uiso 1 1 d . . . . .
H19 H 0.0830(13) -0.170(2) 0.1833(9) 0.039(6) Uiso 1 1 d . . . . .
H7 H 0.0027(16) 0.390(2) 0.4596(11) 0.054(7) Uiso 1 1 d . . . . .
H4 H 0.2183(15) 0.450(2) 0.3554(10) 0.048(7) Uiso 1 1 d . . . . .
H17 H -0.0032(14) 0.217(2) 0.1979(11) 0.054(7) Uiso 1 1 d . . . . .
H6 H 0.0485(16) 0.578(2) 0.4465(10) 0.052(7) Uiso 1 1 d . . . . .
H1A H 0.0466(14) 0.156(2) 0.4002(9) 0.035(6) Uiso 1 1 d . . . . .
H20 H 0.1177(16) 0.171(2) 0.1558(10) 0.054(7) Uiso 1 1 d . . . . .
H5 H 0.1539(16) 0.609(3) 0.3945(11) 0.061(8) Uiso 1 1 d . . . . .
H22 H 0.2217(19) 0.037(3) 0.1420(13) 0.075(10) Uiso 1 1 d . . . . .
H24B H 0.213(2) -0.207(3) 0.1623(13) 0.083(11) Uiso 1 1 d . . . . .
H12 H -0.0170(18) 0.162(3) 0.5920(13) 0.073(10) Uiso 1 1 d . . . . .
H24A H 0.291(2) -0.136(3) 0.1536(13) 0.081(10) Uiso 1 1 d . . . . .
H24C H 0.239(2) -0.128(3) 0.2042(16) 0.095(13) Uiso 1 1 d . . . . .
H13 H -0.177(2) 0.067(3) 0.4893(14) 0.084(11) Uiso 1 1 d . . . . .
H14 H -0.139(2) 0.095(3) 0.5755(15) 0.093(11) Uiso 1 1 d . . . . .


_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 O3 2.1533(15) . ?
Ru1 C20 2.155(2) . ?
Ru1 O1 2.1613(15) . ?
Ru1 C18 2.163(2) . ?
Ru1 C21 2.165(2) . ?
Ru1 C17 2.166(2) . ?
Ru1 C19 2.168(2) . ?
Ru1 C16 2.170(2) . ?
Ru1 Cl3 2.3705(6) . ?
Ru1 C1 2.516(2) . ?
O1 C1 1.271(2) . ?
N1 C9 1.392(3) . ?
N1 C8 1.420(3) . ?
N1 H1A 0.77(2) . ?
O3 C1 1.259(2) . ?
C21 C19 1.407(3) . ?
C21 C20 1.425(3) . ?
C21 C22 1.515(3) . ?
C20 C17 1.398(3) . ?
C20 H20 0.93(3) . ?
C17 C16 1.421(3) . ?
C17 H17 0.96(3) . ?
C16 C18 1.405(3) . ?
C16 C15 1.506(3) . ?
C18 C19 1.415(3) . ?
C18 H18 0.92(2) . ?
C19 H19 0.88(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C22 C24 1.510(5) . ?
C22 C23 1.530(4) . ?
C22 H22 0.92(3) . ?
C24 H24B 0.99(4) . ?
C24 H24A 0.94(4) . ?
C24 H24C 0.93(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C1 C2 1.506(3) . ?
C2 C3 1.510(3) . ?
C2 H2A 0.95(2) . ?
C2 H2B 0.95(3) . ?
C3 C4 1.387(3) . ?
C3 C8 1.401(3) . ?
C8 C7 1.385(3) . ?
C9 C11 1.390(3) . ?
C9 C10 1.405(3) . ?
C10 C12 1.378(4) . ?
C10 Cl2 1.731(3) . ?
C12 C14 1.357(5) . ?
C12 H12 0.83(3) . ?
C14 C13 1.370(4) . ?
C14 H14 0.89(4) . ?
C13 C11 1.391(4) . ?
C13 H13 0.89(3) . ?
C11 Cl1 1.736(3) . ?
C7 C6 1.379(3) . ?
C7 H7 0.87(3) . ?
C6 C5 1.372(4) . ?
C6 H6 0.89(3) . ?
C5 C4 1.383(3) . ?
C5 H5 0.89(3) . ?
C4 H4 0.91(3) . ?

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
O3 Ru1 C20 96.24(8) . . ?
O3 Ru1 O1 60.16(5) . . ?
C20 Ru1 O1 117.97(8) . . ?
O3 Ru1 C18 172.19(7) . . ?
C20 Ru1 C18 80.64(9) . . ?
O1 Ru1 C18 127.62(7) . . ?
O3 Ru1 C21 103.90(7) . . ?
C20 Ru1 C21 38.52(9) . . ?
O1 Ru1 C21 153.57(8) . . ?
C18 Ru1 C21 69.21(9) . . ?
O3 Ru1 C17 113.68(8) . . ?
C20 Ru1 C17 37.75(9) . . ?
O1 Ru1 C17 96.63(7) . . ?
C18 Ru1 C17 68.02(9) . . ?
C21 Ru1 C17 69.35(9) . . ?
O3 Ru1 C19 134.04(7) . . ?
C20 Ru1 C19 68.07(9) . . ?
O1 Ru1 C19 165.43(8) . . ?
C18 Ru1 C19 38.15(9) . . ?
C21 Ru1 C19 37.91(9) . . ?
C17 Ru1 C19 80.66(9) . . ?
O3 Ru1 C16 147.24(8) . . ?
C20 Ru1 C16 69.04(9) . . ?
O1 Ru1 C16 99.95(7) . . ?
C18 Ru1 C16 37.86(9) . . ?
C21 Ru1 C16 82.97(8) . . ?
C17 Ru1 C16 38.26(9) . . ?
C19 Ru1 C16 69.05(9) . . ?
O3 Ru1 Cl3 84.03(5) . . ?
C20 Ru1 Cl3 153.83(7) . . ?
O1 Ru1 Cl3 84.92(5) . . ?
C18 Ru1 Cl3 95.60(7) . . ?
C21 Ru1 Cl3 115.94(6) . . ?
C17 Ru1 Cl3 160.48(7) . . ?
C19 Ru1 Cl3 92.94(6) . . ?
C16 Ru1 Cl3 122.25(7) . . ?
O3 Ru1 C1 30.01(6) . . ?
C20 Ru1 C1 111.79(8) . . ?
O1 Ru1 C1 30.35(6) . . ?
C18 Ru1 C1 157.65(8) . . ?
C21 Ru1 C1 132.10(8) . . ?
C17 Ru1 C1 109.87(8) . . ?
C19 Ru1 C1 163.10(8) . . ?
C16 Ru1 C1 127.42(7) . . ?
Cl3 Ru1 C1 81.05(5) . . ?
C1 O1 Ru1 90.46(12) . . ?
C9 N1 C8 121.42(18) . . ?
C9 N1 H1A 114.2(18) . . ?
C8 N1 H1A 112.5(18) . . ?
C1 O3 Ru1 91.17(12) . . ?
C19 C21 C20 117.4(2) . . ?
C19 C21 C22 122.4(2) . . ?
C20 C21 C22 120.2(2) . . ?
C19 C21 Ru1 71.16(12) . . ?
C20 C21 Ru1 70.37(12) . . ?
C22 C21 Ru1 128.51(17) . . ?
C17 C20 C21 121.6(2) . . ?
C17 C20 Ru1 71.55(13) . . ?
C21 C20 Ru1 71.11(13) . . ?
C17 C20 H20 119.6(17) . . ?
C21 C20 H20 118.6(17) . . ?
Ru1 C20 H20 125.9(17) . . ?
C20 C17 C16 120.8(2) . . ?
C20 C17 Ru1 70.70(13) . . ?
C16 C17 Ru1 71.00(12) . . ?
C20 C17 H17 121.0(15) . . ?
C16 C17 H17 117.8(15) . . ?
Ru1 C17 H17 124.6(16) . . ?
C18 C16 C17 117.9(2) . . ?
C18 C16 C15 121.0(2) . . ?
C17 C16 C15 121.0(2) . . ?
C18 C16 Ru1 70.81(12) . . ?
C17 C16 Ru1 70.73(13) . . ?
C15 C16 Ru1 126.11(17) . . ?
C16 C18 C19 121.3(2) . . ?
C16 C18 Ru1 71.34(13) . . ?
C19 C18 Ru1 71.12(12) . . ?
C16 C18 H18 120.4(14) . . ?
C19 C18 H18 117.7(14) . . ?
Ru1 C18 H18 123.1(14) . . ?
C21 C19 C18 121.1(2) . . ?
C21 C19 Ru1 70.93(12) . . ?
C18 C19 Ru1 70.73(12) . . ?
C21 C19 H19 117.1(15) . . ?
C18 C19 H19 121.3(15) . . ?
Ru1 C19 H19 125.2(16) . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C24 C22 C21 113.3(3) . . ?
C24 C22 C23 111.6(3) . . ?
C21 C22 C23 108.8(2) . . ?
C24 C22 H22 109(2) . . ?
C21 C22 H22 105.3(19) . . ?
C23 C22 H22 108(2) . . ?
C22 C24 H24B 111(2) . . ?
C22 C24 H24A 110(2) . . ?
H24B C24 H24A 108(3) . . ?
C22 C24 H24C 117(2) . . ?
H24B C24 H24C 99(3) . . ?
H24A C24 H24C 111(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O3 C1 O1 117.45(19) . . ?
O3 C1 C2 121.13(19) . . ?
O1 C1 C2 121.34(19) . . ?
O3 C1 Ru1 58.82(10) . . ?
O1 C1 Ru1 59.19(10) . . ?
C2 C1 Ru1 169.95(16) . . ?
C1 C2 C3 115.93(17) . . ?
C1 C2 H2A 103.7(15) . . ?
C3 C2 H2A 109.3(15) . . ?
C1 C2 H2B 105.8(16) . . ?
C3 C2 H2B 110.0(16) . . ?
H2A C2 H2B 112(2) . . ?
C4 C3 C8 118.60(19) . . ?
C4 C3 C2 119.8(2) . . ?
C8 C3 C2 121.55(19) . . ?
C7 C8 C3 119.58(19) . . ?
C7 C8 N1 121.33(19) . . ?
C3 C8 N1 119.09(18) . . ?
C11 C9 N1 122.5(2) . . ?
C11 C9 C10 115.6(2) . . ?
N1 C9 C10 121.9(2) . . ?
C12 C10 C9 121.9(3) . . ?
C12 C10 Cl2 119.1(2) . . ?
C9 C10 Cl2 118.98(18) . . ?
C14 C12 C10 120.3(3) . . ?
C14 C12 H12 122(2) . . ?
C10 C12 H12 118(2) . . ?
C12 C14 C13 120.4(3) . . ?
C12 C14 H14 119(2) . . ?
C13 C14 H14 120(2) . . ?
C14 C13 C11 119.1(3) . . ?
C14 C13 H13 121(2) . . ?
C11 C13 H13 120(2) . . ?
C9 C11 C13 122.5(2) . . ?
C9 C11 Cl1 118.33(18) . . ?
C13 C11 Cl1 119.1(2) . . ?
C6 C7 C8 120.7(2) . . ?
C6 C7 H7 121.4(18) . . ?
C8 C7 H7 117.9(18) . . ?
C5 C6 C7 120.3(2) . . ?
C5 C6 H6 119.5(17) . . ?
C7 C6 H6 120.1(17) . . ?
C6 C5 C4 119.5(2) . . ?
C6 C5 H5 118.1(18) . . ?
C4 C5 H5 122.4(18) . . ?
C5 C4 C3 121.3(2) . . ?
C5 C4 H4 120.3(16) . . ?
C3 C4 H4 118.3(16) . . ?

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
C19 C21 C20 C17 2.3(3) . . . . ?
C22 C21 C20 C17 -176.8(2) . . . . ?
Ru1 C21 C20 C17 -52.9(2) . . . . ?
C19 C21 C20 Ru1 55.21(18) . . . . ?
C22 C21 C20 Ru1 -123.9(2) . . . . ?
C21 C20 C17 C16 0.3(3) . . . . ?
Ru1 C20 C17 C16 -52.42(19) . . . . ?
C21 C20 C17 Ru1 52.7(2) . . . . ?
C20 C17 C16 C18 -2.3(3) . . . . ?
Ru1 C17 C16 C18 -54.63(18) . . . . ?
C20 C17 C16 C15 173.5(2) . . . . ?
Ru1 C17 C16 C15 121.2(2) . . . . ?
C20 C17 C16 Ru1 52.29(19) . . . . ?
C17 C16 C18 C19 1.8(3) . . . . ?
C15 C16 C18 C19 -174.1(2) . . . . ?
Ru1 C16 C18 C19 -52.80(18) . . . . ?
C17 C16 C18 Ru1 54.59(18) . . . . ?
C15 C16 C18 Ru1 -121.3(2) . . . . ?
C20 C21 C19 C18 -2.9(3) . . . . ?
C22 C21 C19 C18 176.2(2) . . . . ?
Ru1 C21 C19 C18 51.97(19) . . . . ?
C20 C21 C19 Ru1 -54.82(18) . . . . ?
C22 C21 C19 Ru1 124.2(2) . . . . ?
C16 C18 C19 C21 0.8(3) . . . . ?
Ru1 C18 C19 C21 -52.05(19) . . . . ?
C16 C18 C19 Ru1 52.90(18) . . . . ?
C19 C21 C22 C24 -37.9(4) . . . . ?
C20 C21 C22 C24 141.2(3) . . . . ?
Ru1 C21 C22 C24 53.1(3) . . . . ?
C19 C21 C22 C23 86.9(3) . . . . ?
C20 C21 C22 C23 -94.1(3) . . . . ?
Ru1 C21 C22 C23 177.8(2) . . . . ?
Ru1 O3 C1 O1 -8.5(2) . . . . ?
Ru1 O3 C1 C2 168.25(19) . . . . ?
Ru1 O1 C1 O3 8.5(2) . . . . ?
Ru1 O1 C1 C2 -168.28(19) . . . . ?
O3 C1 C2 C3 145.1(2) . . . . ?
O1 C1 C2 C3 -38.3(3) . . . . ?
Ru1 C1 C2 C3 -128.3(8) . . . . ?
C1 C2 C3 C4 -108.0(2) . . . . ?
C1 C2 C3 C8 74.4(3) . . . . ?
C4 C3 C8 C7 0.6(3) . . . . ?
C2 C3 C8 C7 178.3(2) . . . . ?
C4 C3 C8 N1 -178.77(19) . . . . ?
C2 C3 C8 N1 -1.1(3) . . . . ?
C9 N1 C8 C7 -13.0(3) . . . . ?
C9 N1 C8 C3 166.3(2) . . . . ?
C8 N1 C9 C11 117.3(2) . . . . ?
C8 N1 C9 C10 -65.5(3) . . . . ?
C11 C9 C10 C12 -3.2(3) . . . . ?
N1 C9 C10 C12 179.4(2) . . . . ?
C11 C9 C10 Cl2 176.10(17) . . . . ?
N1 C9 C10 Cl2 -1.3(3) . . . . ?
C9 C10 C12 C14 2.0(4) . . . . ?
Cl2 C10 C12 C14 -177.3(2) . . . . ?
C10 C12 C14 C13 0.4(5) . . . . ?
C12 C14 C13 C11 -1.3(5) . . . . ?
N1 C9 C11 C13 179.6(2) . . . . ?
C10 C9 C11 C13 2.3(4) . . . . ?
N1 C9 C11 Cl1 0.4(3) . . . . ?
C10 C9 C11 Cl1 -177.00(17) . . . . ?
C14 C13 C11 C9 -0.1(4) . . . . ?
C14 C13 C11 Cl1 179.2(2) . . . . ?
C3 C8 C7 C6 -0.9(3) . . . . ?
N1 C8 C7 C6 178.5(2) . . . . ?
C8 C7 C6 C5 0.5(4) . . . . ?
C7 C6 C5 C4 0.2(4) . . . . ?
C6 C5 C4 C3 -0.4(4) . . . . ?
C8 C3 C4 C5 0.0(3) . . . . ?
C2 C3 C4 C5 -177.6(2) . . . . ?

loop_
_refine_diff_density_max
0.477
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.058

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_compound1
_database_code_depnum_ccdc_archive 'CCDC 1529590'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-11-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H27 Cl O3 Ru'
_chemical_formula_sum            'C24 H27 Cl O3 Ru'
_chemical_formula_weight         499.97

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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   9.328(5)
_cell_length_b                   11.490(6)
_cell_length_c                   21.330(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2286.1(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    150
_cell_measurement_reflns_used    6337
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      31.1

_exptl_crystal_description       rectangular
_exptl_crystal_colour            red
_exptl_crystal_density_meas      1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_absorpt_coefficient_mu    0.824
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.4487
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   Sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  
'Bruker D8 Venture PHOTON 100 CMOS diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18852
_diffrn_reflns_av_unetI/netI     0.1842
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.013
_diffrn_reflns_theta_max         31.104
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.895
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.894
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6337
_reflns_number_gt                5077
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.783
_reflns_Friedel_fraction_max     0.892
_reflns_Friedel_fraction_full    1.000

_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       'APEX2 (Bruker, 2014.3)'
_computing_cell_refinement       'APEX2 (Bruker, 2014.3);SAINT (Bruker, 2014)'
_computing_data_reduction        'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refined as a 2-component perfect inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0806P)²+0.9334P] 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_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   ?
_chemical_absolute_configuration .
_refine_ls_number_reflns         6337
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1454
_refine_ls_wR_factor_gt          0.1294
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001

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 0.44494(5) 0.04179(4) 0.21640(2) 0.02762(15) Uani 1 1 d . . . . .
Cl1 Cl 0.18887(19) 0.0271(2) 0.20774(10) 0.0598(5) Uani 1 1 d . . . . .
O1 O 0.0604(7) 0.6810(5) 0.5159(3) 0.0594(15) Uani 1 1 d . . . . .
O3 O 0.4133(5) -0.0409(4) 0.3073(2) 0.0391(11) Uani 1 1 d . . . . .
O2 O 0.4014(5) 0.1459(3) 0.2973(2) 0.0352(10) Uani 1 1 d . . . . .
C8 C 0.2381(7) 0.3559(5) 0.4764(3) 0.0315(12) Uani 1 1 d . . . . .
C9 C 0.1284(7) 0.3988(5) 0.4365(3) 0.0314(13) Uani 1 1 d . . . . .
C6 C 0.3027(7) 0.2462(5) 0.4627(3) 0.0326(13) Uani 1 1 d . . . . .
H6 H 0.3751 0.2180 0.4885 0.039 Uiso 1 1 calc R U . . .
C4 C 0.2600(7) 0.1821(5) 0.4124(3) 0.0317(13) Uani 1 1 d . . . . .
C13 C 0.1114(8) 0.5740(6) 0.4986(3) 0.0396(14) Uani 1 1 d . . . . .
C21 C 0.6608(7) 0.1149(6) 0.2006(3) 0.0353(13) Uani 1 1 d . . . . .
C7 C 0.0834(7) 0.3304(6) 0.3849(3) 0.0354(13) Uani 1 1 d . . . . .
H7 H 0.0109 0.3574 0.3587 0.042 Uiso 1 1 calc R U . . .
C11 C 0.2803(8) 0.4245(6) 0.5285(3) 0.0378(14) Uani 1 1 d . . . . .
H11 H 0.3514 0.3970 0.5552 0.045 Uiso 1 1 calc R U . . .
C12 C 0.2192(8) 0.5296(6) 0.5403(3) 0.0446(16) Uani 1 1 d . . . . .
H12 H 0.2471 0.5726 0.5752 0.054 Uiso 1 1 calc R U . . .
C1 C 0.3837(7) 0.0555(5) 0.3316(3) 0.0313(12) Uani 1 1 d . . . . .
C5 C 0.1464(7) 0.2240(6) 0.3733(3) 0.0354(14) Uani 1 1 d . . . . .
H5 H 0.1148 0.1791 0.3397 0.042 Uiso 1 1 calc R U . . .
C2 C 0.3276(8) 0.0638(5) 0.3984(3) 0.0368(14) Uani 1 1 d . . . . .
H2 H 0.4105 0.0557 0.4263 0.044 Uiso 1 1 calc R U . . .
C10 C 0.0676(8) 0.5096(6) 0.4483(3) 0.0379(14) Uani 1 1 d . . . . .
H10 H -0.0027 0.5387 0.4217 0.046 Uiso 1 1 calc R U . . .
C16 C 0.4791(8) -0.0297(6) 0.1223(3) 0.0384(15) Uani 1 1 d . . . . .
C17 C 0.4733(9) 0.0944(6) 0.1195(3) 0.0418(17) Uani 1 1 d . . . . .
H17 H 0.4107 0.1299 0.0914 0.050 Uiso 1 1 calc R U . . .
C15 C 0.3770(10) -0.1028(8) 0.0845(4) 0.055(2) Uani 1 1 d . . . . .
H15A H 0.3196 -0.0533 0.0583 0.083 Uiso 1 1 calc R U . . .
H15B H 0.4304 -0.1560 0.0587 0.083 Uiso 1 1 calc R U . . .
H15C H 0.3158 -0.1459 0.1122 0.083 Uiso 1 1 calc R U . . .
C22 C 0.7462(8) 0.1938(7) 0.2432(4) 0.0469(16) Uani 1 1 d . . . . .
H22 H 0.6869 0.2625 0.2516 0.056 Uiso 1 1 calc R U . . .
C3 C 0.2269(11) -0.0357(7) 0.4131(4) 0.062(2) Uani 1 1 d . . . . .
H3A H 0.1930 -0.0284 0.4554 0.093 Uiso 1 1 calc R U . . .
H3B H 0.1468 -0.0336 0.3848 0.093 Uiso 1 1 calc R U . . .
H3C H 0.2767 -0.1082 0.4084 0.093 Uiso 1 1 calc R U . . .
C19 C 0.5599(9) 0.1643(6) 0.1580(3) 0.0439(15) Uani 1 1 d . . . . .
H19 H 0.5513 0.2448 0.1556 0.053 Uiso 1 1 calc R U . . .
C20 C 0.6686(7) -0.0064(6) 0.2031(3) 0.0363(15) Uani 1 1 d . . . . .
H20 H 0.7342 -0.0416 0.2299 0.044 Uiso 1 1 calc R U . . .
C24 C 0.8795(9) 0.2356(8) 0.2092(5) 0.060(2) Uani 1 1 d . . . . .
H24A H 0.9336 0.2857 0.2364 0.090 Uiso 1 1 calc R U . . .
H24B H 0.9371 0.1698 0.1976 0.090 Uiso 1 1 calc R U . . .
H24C H 0.8521 0.2776 0.1722 0.090 Uiso 1 1 calc R U . . .
C23 C 0.7824(11) 0.1398(9) 0.3058(4) 0.065(3) Uani 1 1 d . . . . .
H23A H 0.8364 0.1943 0.3304 0.098 Uiso 1 1 calc R U . . .
H23B H 0.6955 0.1201 0.3275 0.098 Uiso 1 1 calc R U . . .
H23C H 0.8383 0.0707 0.2993 0.098 Uiso 1 1 calc R U . . .
C18 C 0.5765(8) -0.0781(6) 0.1648(3) 0.0406(16) Uani 1 1 d . . . . .
H18 H 0.5821 -0.1586 0.1685 0.049 Uiso 1 1 calc R U . . .
C14 C -0.0459(11) 0.7320(8) 0.4767(4) 0.066(2) Uani 1 1 d . . . . .
H14A H -0.0732 0.8063 0.4934 0.098 Uiso 1 1 calc R U . . .
H14B H -0.0079 0.7420 0.4352 0.098 Uiso 1 1 calc R U . . .
H14C H -0.1283 0.6820 0.4751 0.098 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 O2 2.139(4) . ?
Ru1 C18 2.148(6) . ?
Ru1 C19 2.165(7) . ?
Ru1 C17 2.171(7) . ?
Ru1 C20 2.177(6) . ?
Ru1 O3 2.179(5) . ?
Ru1 C16 2.193(6) . ?
Ru1 C21 2.208(7) . ?
Ru1 Cl1 2.402(2) . ?
Ru1 C1 2.528(6) . ?
O1 C13 1.368(8) . ?
O1 C14 1.423(11) . ?
O3 C1 1.253(7) . ?
O2 C1 1.281(8) . ?
C8 C11 1.418(9) . ?
C8 C9 1.420(9) . ?
C8 C6 1.428(8) . ?
C9 C7 1.415(9) . ?
C9 C10 1.416(9) . ?
C6 C4 1.361(9) . ?
C4 C5 1.432(9) . ?
C4 C2 1.528(8) . ?
C13 C10 1.366(9) . ?
C13 C12 1.435(11) . ?
C21 C20 1.397(9) . ?
C21 C19 1.426(10) . ?
C21 C22 1.510(10) . ?
C7 C5 1.379(9) . ?
C11 C12 1.358(10) . ?
C1 C2 1.520(8) . ?
C2 C3 1.513(11) . ?
C16 C18 1.400(10) . ?
C16 C17 1.428(10) . ?
C16 C15 1.504(10) . ?
C17 C19 1.404(11) . ?
C22 C23 1.512(12) . ?
C22 C24 1.516(12) . ?
C20 C18 1.443(10) . ?

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
O2 Ru1 C18 151.7(2) . . ?
O2 Ru1 C19 101.3(2) . . ?
C18 Ru1 C19 80.7(2) . . ?
O2 Ru1 C17 129.5(2) . . ?
C18 Ru1 C17 67.7(3) . . ?
C19 Ru1 C17 37.8(3) . . ?
O2 Ru1 C20 115.4(2) . . ?
C18 Ru1 C20 39.0(3) . . ?
C19 Ru1 C20 67.4(3) . . ?
C17 Ru1 C20 80.2(3) . . ?
O2 Ru1 O3 60.00(16) . . ?
C18 Ru1 O3 104.7(2) . . ?
C19 Ru1 O3 149.6(2) . . ?
C17 Ru1 O3 170.2(2) . . ?
C20 Ru1 O3 97.7(2) . . ?
O2 Ru1 C16 167.4(2) . . ?
C18 Ru1 C16 37.6(3) . . ?
C19 Ru1 C16 69.2(3) . . ?
C17 Ru1 C16 38.2(3) . . ?
C20 Ru1 C16 69.3(3) . . ?
O3 Ru1 C16 132.2(2) . . ?
O2 Ru1 C21 94.8(2) . . ?
C18 Ru1 C21 69.2(3) . . ?
C19 Ru1 C21 38.1(3) . . ?
C17 Ru1 C21 68.7(3) . . ?
C20 Ru1 C21 37.2(3) . . ?
O3 Ru1 C21 115.2(2) . . ?
C16 Ru1 C21 82.5(2) . . ?
O2 Ru1 Cl1 84.98(14) . . ?
C18 Ru1 Cl1 118.9(2) . . ?
C19 Ru1 Cl1 119.6(2) . . ?
C17 Ru1 Cl1 93.9(2) . . ?
C20 Ru1 Cl1 157.68(19) . . ?
O3 Ru1 Cl1 84.44(14) . . ?
C16 Ru1 Cl1 92.7(2) . . ?
C21 Ru1 Cl1 157.24(19) . . ?
O2 Ru1 C1 30.44(18) . . ?
C18 Ru1 C1 131.8(2) . . ?
C19 Ru1 C1 129.2(2) . . ?
C17 Ru1 C1 159.5(2) . . ?
C20 Ru1 C1 111.0(2) . . ?
O3 Ru1 C1 29.72(18) . . ?
C16 Ru1 C1 161.1(2) . . ?
C21 Ru1 C1 109.3(2) . . ?
Cl1 Ru1 C1 81.63(15) . . ?
C13 O1 C14 117.0(6) . . ?
C1 O3 Ru1 90.7(4) . . ?
C1 O2 Ru1 91.8(3) . . ?
C11 C8 C9 118.5(6) . . ?
C11 C8 C6 122.3(6) . . ?
C9 C8 C6 119.2(6) . . ?
C7 C9 C10 121.3(6) . . ?
C7 C9 C8 119.2(6) . . ?
C10 C9 C8 119.5(6) . . ?
C4 C6 C8 121.1(6) . . ?
C6 C4 C5 119.6(6) . . ?
C6 C4 C2 121.0(6) . . ?
C5 C4 C2 119.4(6) . . ?
C10 C13 O1 126.4(7) . . ?
C10 C13 C12 120.2(6) . . ?
O1 C13 C12 113.4(6) . . ?
C20 C21 C19 117.1(6) . . ?
C20 C21 C22 123.3(6) . . ?
C19 C21 C22 119.5(6) . . ?
C20 C21 Ru1 70.2(4) . . ?
C19 C21 Ru1 69.3(4) . . ?
C22 C21 Ru1 128.1(5) . . ?
C5 C7 C9 120.4(6) . . ?
C12 C11 C8 121.5(7) . . ?
C11 C12 C13 119.7(7) . . ?
O3 C1 O2 116.9(5) . . ?
O3 C1 C2 121.3(6) . . ?
O2 C1 C2 121.9(5) . . ?
O3 C1 Ru1 59.6(3) . . ?
O2 C1 Ru1 57.7(3) . . ?
C2 C1 Ru1 172.9(5) . . ?
C7 C5 C4 120.6(6) . . ?
C3 C2 C1 111.1(5) . . ?
C3 C2 C4 112.0(6) . . ?
C1 C2 C4 112.4(5) . . ?
C13 C10 C9 120.5(7) . . ?
C18 C16 C17 116.6(7) . . ?
C18 C16 C15 122.4(7) . . ?
C17 C16 C15 120.8(7) . . ?
C18 C16 Ru1 69.5(4) . . ?
C17 C16 Ru1 70.1(4) . . ?
C15 C16 Ru1 127.5(5) . . ?
C19 C17 C16 121.7(7) . . ?
C19 C17 Ru1 70.9(4) . . ?
C16 C17 Ru1 71.7(4) . . ?
C21 C22 C23 113.8(6) . . ?
C21 C22 C24 109.6(6) . . ?
C23 C22 C24 111.6(7) . . ?
C17 C19 C21 121.7(6) . . ?
C17 C19 Ru1 71.3(4) . . ?
C21 C19 Ru1 72.6(4) . . ?
C21 C20 C18 121.1(6) . . ?
C21 C20 Ru1 72.6(4) . . ?
C18 C20 Ru1 69.4(4) . . ?
C16 C18 C20 121.8(6) . . ?
C16 C18 Ru1 72.9(4) . . ?
C20 C18 Ru1 71.6(3) . . ?

_refine_diff_density_max         1.359
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.233

_shelxl_version_number           2014-3

