# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_jwg2a
_database_code_depnum_ccdc_archive 'CCDC 1445903'
_audit_update_record             
;
2016-01-07 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H22 Cl N O Ru'
_chemical_formula_weight         416.90

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'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   P43212

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+1/2, x+1/2, z+3/4'
'-x, -y, z+1/2'
'y+1/2, -x+1/2, z+1/4'
'x+1/2, -y+1/2, -z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   11.8528(6)
_cell_length_b                   11.8528(6)
_cell_length_c                   25.5890(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3595.0(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      1.89
_cell_measurement_theta_max      27.47

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1696
_exptl_absorpt_coefficient_mu    1.024
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8214
_exptl_absorpt_correction_T_max  0.8292
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31240
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         27.47
_reflns_number_total             4133
_reflns_number_gt                3338
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0274P)²+2.0978P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(5)
_refine_ls_number_reflns         4133
_refine_ls_number_parameters     208
_refine_ls_number_restraints     245
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0743
_refine_ls_wR_factor_gt          0.0663
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.33653(3) 0.29443(3) 0.313272(12) 0.05246(10) Uani 1 1 d U . .
Cl1 Cl 0.30951(10) 0.20762(9) 0.39756(4) 0.0698(3) Uani 1 1 d U . .
O1 O 0.1649(6) 0.0029(4) 0.27807(15) 0.152(2) Uani 1 1 d U . .
N1 N 0.2972(4) 0.1335(3) 0.28726(13) 0.0830(12) Uani 1 1 d U . .
C1 C 0.2886(5) 0.4508(5) 0.2074(2) 0.0955(17) Uani 1 1 d U . .
H1A H 0.3231 0.5096 0.1872 0.143 Uiso 1 1 calc R . .
H1B H 0.2174 0.4766 0.2206 0.143 Uiso 1 1 calc R . .
H1C H 0.2770 0.3857 0.1858 0.143 Uiso 1 1 calc R . .
C2 C 0.3641(4) 0.4204(4) 0.25210(16) 0.0638(10) Uani 1 1 d U . .
C3 C 0.4437(4) 0.3340(4) 0.24813(16) 0.0668(10) Uani 1 1 d U . .
H3A H 0.4415 0.2847 0.2174 0.080 Uiso 1 1 calc R . .
C4 C 0.5198(4) 0.3065(4) 0.28955(17) 0.0667(11) Uani 1 1 d U . .
H4A H 0.5642 0.2371 0.2870 0.080 Uiso 1 1 calc R . .
C5 C 0.5102(4) 0.3588(4) 0.33740(15) 0.0639(10) Uani 1 1 d U . .
C6 C 0.4240(4) 0.4432(4) 0.34263(16) 0.0616(10) Uani 1 1 d U . .
H6A H 0.4053 0.4712 0.3776 0.074 Uiso 1 1 calc R . .
C7 C 0.3559(3) 0.4745(3) 0.30086(16) 0.0598(10) Uani 1 1 d U . .
H7A H 0.2913 0.5240 0.3075 0.072 Uiso 1 1 calc R . .
C8 C 0.5801(4) 0.3297(5) 0.38470(19) 0.0911(15) Uani 1 1 d U . .
H8A H 0.5303 0.3360 0.4152 0.109 Uiso 1 1 calc R . .
C9 C 0.6256(5) 0.2105(6) 0.3843(3) 0.131(2) Uani 1 1 d U . .
H9A H 0.5643 0.1582 0.3806 0.197 Uiso 1 1 calc R . .
H9B H 0.6645 0.1960 0.4166 0.197 Uiso 1 1 calc R . .
H9C H 0.6771 0.2016 0.3556 0.197 Uiso 1 1 calc R . .
C10 C 0.6738(4) 0.4170(5) 0.3917(2) 0.1082(19) Uani 1 1 d U . .
H10A H 0.7174 0.3986 0.4222 0.162 Uiso 1 1 calc R . .
H10B H 0.6410 0.4905 0.3959 0.162 Uiso 1 1 calc R . .
H10C H 0.7218 0.4167 0.3615 0.162 Uiso 1 1 calc R . .
C11 C 0.3634(7) 0.0294(4) 0.2826(2) 0.125(2) Uani 1 1 d U . .
H11A H 0.4057 0.0136 0.3142 0.150 Uiso 1 1 calc R . .
H11B H 0.4145 0.0321 0.2530 0.150 Uiso 1 1 calc R . .
C12 C 0.2662(9) -0.0578(5) 0.2739(3) 0.174(4) Uani 1 1 d U . .
H12A H 0.2725 -0.0923 0.2396 0.209 Uiso 1 1 calc R . .
H12B H 0.2694 -0.1168 0.3001 0.209 Uiso 1 1 calc R . .
C13 C 0.1899(6) 0.1105(5) 0.28567(16) 0.0999(17) Uani 1 1 d U . .
C14 C 0.1122(5) 0.1984(5) 0.29545(16) 0.0916(15) Uani 1 1 d U . .
C15 C -0.0047(7) 0.1869(8) 0.2922(2) 0.134(3) Uani 1 1 d U . .
H15A H -0.0362 0.1181 0.2826 0.160 Uiso 1 1 calc R . .
C16 C -0.0719(6) 0.2752(9) 0.3031(3) 0.149(3) Uani 1 1 d U . .
H16A H -0.1499 0.2671 0.3012 0.179 Uiso 1 1 calc R . .
C17 C -0.0258(5) 0.3784(7) 0.3172(2) 0.117(2) Uani 1 1 d U . .
H17A H -0.0724 0.4396 0.3243 0.141 Uiso 1 1 calc R . .
C18 C 0.0904(4) 0.3893(5) 0.3207(2) 0.0836(14) Uani 1 1 d U . .
H18A H 0.1207 0.4582 0.3310 0.100 Uiso 1 1 calc R . .
C19 C 0.1628(4) 0.3012(4) 0.30916(14) 0.0669(10) Uani 1 1 d 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 C19 2.063(4) . ?
Ru1 N1 2.073(3) . ?
Ru1 C3 2.148(4) . ?
Ru1 C7 2.170(4) . ?
Ru1 C6 2.179(4) . ?
Ru1 C2 2.188(4) . ?
Ru1 C4 2.260(4) . ?
Ru1 C5 2.281(4) . ?
Ru1 Cl1 2.4110(10) . ?
O1 C13 1.324(6) . ?
O1 C12 1.404(11) . ?
N1 C13 1.302(7) . ?
N1 C11 1.467(7) . ?
C1 C2 1.496(6) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.396(6) . ?
C2 C7 1.406(6) . ?
C3 C4 1.429(6) . ?
C3 H3A 0.9800 . ?
C4 C5 1.377(6) . ?
C4 H4A 0.9800 . ?
C5 C6 1.437(6) . ?
C5 C8 1.506(6) . ?
C6 C7 1.389(6) . ?
C6 H6A 0.9800 . ?
C7 H7A 0.9800 . ?
C8 C9 1.513(8) . ?
C8 C10 1.529(7) . ?
C8 H8A 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 1.564(10) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.413(9) . ?
C14 C15 1.395(8) . ?
C14 C19 1.403(6) . ?
C15 C16 1.345(12) . ?
C15 H15A 0.9300 . ?
C16 C17 1.388(10) . ?
C16 H16A 0.9300 . ?
C17 C18 1.386(7) . ?
C17 H17A 0.9300 . ?
C18 C19 1.384(6) . ?
C18 H18A 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
C19 Ru1 N1 78.18(19) . . ?
C19 Ru1 C3 122.84(17) . . ?
N1 Ru1 C3 94.85(16) . . ?
C19 Ru1 C7 93.44(17) . . ?
N1 Ru1 C7 151.85(16) . . ?
C3 Ru1 C7 66.99(16) . . ?
C19 Ru1 C6 117.44(17) . . ?
N1 Ru1 C6 164.17(19) . . ?
C3 Ru1 C6 79.02(16) . . ?
C7 Ru1 C6 37.26(15) . . ?
C19 Ru1 C2 94.93(16) . . ?
N1 Ru1 C2 115.58(15) . . ?
C3 Ru1 C2 37.57(16) . . ?
C7 Ru1 C2 37.65(15) . . ?
C6 Ru1 C2 67.88(15) . . ?
C19 Ru1 C4 160.56(15) . . ?
N1 Ru1 C4 100.84(17) . . ?
C3 Ru1 C4 37.73(16) . . ?
C7 Ru1 C4 78.25(15) . . ?
C6 Ru1 C4 65.42(16) . . ?
C2 Ru1 C4 67.72(16) . . ?
C19 Ru1 C5 154.38(17) . . ?
N1 Ru1 C5 126.69(19) . . ?
C3 Ru1 C5 66.61(15) . . ?
C7 Ru1 C5 67.35(16) . . ?
C6 Ru1 C5 37.50(16) . . ?
C2 Ru1 C5 80.24(15) . . ?
C4 Ru1 C5 35.30(14) . . ?
C19 Ru1 Cl1 85.97(11) . . ?
N1 Ru1 Cl1 82.23(10) . . ?
C3 Ru1 Cl1 150.00(14) . . ?
C7 Ru1 Cl1 124.38(11) . . ?
C6 Ru1 Cl1 95.74(11) . . ?
C2 Ru1 Cl1 162.02(12) . . ?
C4 Ru1 Cl1 113.27(12) . . ?
C5 Ru1 Cl1 91.18(10) . . ?
C13 O1 C12 108.3(6) . . ?
C13 N1 C11 110.1(5) . . ?
C13 N1 Ru1 115.0(4) . . ?
C11 N1 Ru1 132.8(4) . . ?
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 116.5(4) . . ?
C3 C2 C1 121.7(4) . . ?
C7 C2 C1 121.8(4) . . ?
C3 C2 Ru1 69.7(2) . . ?
C7 C2 Ru1 70.5(2) . . ?
C1 C2 Ru1 128.5(3) . . ?
C2 C3 C4 122.6(4) . . ?
C2 C3 Ru1 72.8(2) . . ?
C4 C3 Ru1 75.4(2) . . ?
C2 C3 H3A 118.5 . . ?
C4 C3 H3A 118.5 . . ?
Ru1 C3 H3A 118.5 . . ?
C5 C4 C3 120.4(4) . . ?
C5 C4 Ru1 73.2(2) . . ?
C3 C4 Ru1 66.9(2) . . ?
C5 C4 H4A 118.8 . . ?
C3 C4 H4A 118.8 . . ?
Ru1 C4 H4A 118.8 . . ?
C4 C5 C6 117.0(4) . . ?
C4 C5 C8 124.5(4) . . ?
C6 C5 C8 118.4(4) . . ?
C4 C5 Ru1 71.5(3) . . ?
C6 C5 Ru1 67.4(2) . . ?
C8 C5 Ru1 129.5(3) . . ?
C7 C6 C5 121.8(4) . . ?
C7 C6 Ru1 71.0(2) . . ?
C5 C6 Ru1 75.1(3) . . ?
C7 C6 H6A 118.8 . . ?
C5 C6 H6A 118.8 . . ?
Ru1 C6 H6A 118.8 . . ?
C6 C7 C2 121.4(4) . . ?
C6 C7 Ru1 71.7(2) . . ?
C2 C7 Ru1 71.9(2) . . ?
C6 C7 H7A 118.7 . . ?
C2 C7 H7A 118.7 . . ?
Ru1 C7 H7A 118.7 . . ?
C5 C8 C9 113.9(5) . . ?
C5 C8 C10 109.8(4) . . ?
C9 C8 C10 111.9(5) . . ?
C5 C8 H8A 106.9 . . ?
C9 C8 H8A 106.9 . . ?
C10 C8 H8A 106.9 . . ?
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 . . ?
N1 C11 C12 100.0(6) . . ?
N1 C11 H11A 111.8 . . ?
C12 C11 H11A 111.8 . . ?
N1 C11 H11B 111.8 . . ?
C12 C11 H11B 111.8 . . ?
H11A C11 H11B 109.5 . . ?
O1 C12 C11 106.2(5) . . ?
O1 C12 H12A 110.5 . . ?
C11 C12 H12A 110.5 . . ?
O1 C12 H12B 110.5 . . ?
C11 C12 H12B 110.5 . . ?
H12A C12 H12B 108.7 . . ?
N1 C13 O1 115.1(7) . . ?
N1 C13 C14 118.5(4) . . ?
O1 C13 C14 126.2(7) . . ?
C15 C14 C19 121.7(7) . . ?
C15 C14 C13 124.4(6) . . ?
C19 C14 C13 113.9(5) . . ?
C16 C15 C14 120.0(7) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C17 120.4(7) . . ?
C15 C16 H16A 119.8 . . ?
C17 C16 H16A 119.8 . . ?
C18 C17 C16 119.4(7) . . ?
C18 C17 H17A 120.3 . . ?
C16 C17 H17A 120.3 . . ?
C19 C18 C17 122.1(6) . . ?
C19 C18 H18A 118.9 . . ?
C17 C18 H18A 118.9 . . ?
C18 C19 C14 116.3(5) . . ?
C18 C19 Ru1 129.6(3) . . ?
C14 C19 Ru1 114.0(4) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.053
####################################################################### 
# 
# 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_jwg2d
_database_code_depnum_ccdc_archive 'CCDC 1445904'
_audit_update_record             
;
2016-01-07 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H21 Cl2 N O Ru'
_chemical_formula_weight         451.34

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'
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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   20.8082(15)
_cell_length_b                   12.1972(9)
_cell_length_c                   16.3314(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.0100(10)
_cell_angle_gamma                90.00
_cell_volume                     3815.2(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9430
_cell_measurement_theta_min      2.6233
_cell_measurement_theta_max      27.6336

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1824
_exptl_absorpt_coefficient_mu    1.107
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8256
_exptl_absorpt_correction_T_max  0.8694
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32761
_diffrn_reflns_av_R_equivalents  0.0717
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.98
_diffrn_reflns_theta_max         27.68
_reflns_number_total             8855
_reflns_number_gt                7448
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0421P)²+4.0840P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8855
_refine_ls_number_parameters     429
_refine_ls_number_restraints     492
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.1108
_refine_ls_wR_factor_gt          0.1008
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.078009(12) 0.500424(18) 0.251667(15) 0.04086(8) Uani 1 1 d U . .
Cl1 Cl 0.02663(5) 0.33614(7) 0.17206(5) 0.0586(2) Uani 1 1 d U . .
O1 O -0.09633(15) 0.4933(3) 0.3157(2) 0.0886(10) Uani 1 1 d U . .
N1 N -0.01967(14) 0.5286(2) 0.2543(2) 0.0550(6) Uani 1 1 d U . .
Cl2 Cl 0.20947(8) 0.24258(14) 0.57153(10) 0.1230(6) Uani 1 1 d U . .
O2 O 0.59611(14) 0.4984(2) 0.4083(2) 0.0770(8) Uani 1 1 d U . .
N2 N 0.51848(13) 0.5373(2) 0.27152(19) 0.0518(6) Uani 1 1 d U . .
C2 C 0.11655(17) 0.5534(3) 0.1430(2) 0.0535(7) Uani 1 1 d U . .
Cl3 Cl 0.29126(7) 0.24870(11) 0.36293(11) 0.1063(5) Uani 1 1 d U . .
C3 C 0.0845(2) 0.6420(3) 0.1648(3) 0.0671(9) Uani 1 1 d U . .
H3A H 0.0412 0.6710 0.1198 0.081 Uiso 1 1 calc R . .
Cl4 Cl 0.46368(5) 0.34566(7) 0.14096(6) 0.0618(2) Uani 1 1 d U . .
C4 C 0.1027(2) 0.6717(3) 0.2563(3) 0.0735(10) Uani 1 1 d U . .
H4A H 0.0733 0.7244 0.2710 0.088 Uiso 1 1 calc R . .
C5 C 0.1573(2) 0.6192(3) 0.3259(3) 0.0664(9) Uani 1 1 d U . .
C6 C 0.18949(18) 0.5302(3) 0.3026(2) 0.0565(7) Uani 1 1 d U . .
H6A H 0.2204 0.4827 0.3500 0.068 Uiso 1 1 calc R . .
C7 C 0.16785(16) 0.4946(3) 0.2148(2) 0.0482(7) Uani 1 1 d U . .
H7A H 0.1841 0.4234 0.2027 0.058 Uiso 1 1 calc R . .
C8 C 0.1844(3) 0.6533(5) 0.4251(4) 0.1066(19) Uani 1 1 d U . .
H8A H 0.2095 0.5903 0.4605 0.128 Uiso 1 1 calc R . .
C9 C 0.1328(3) 0.6842(7) 0.4572(4) 0.139(3) Uani 1 1 d U . .
H9A H 0.1547 0.7019 0.5193 0.209 Uiso 1 1 calc R . .
H9B H 0.1007 0.6246 0.4491 0.209 Uiso 1 1 calc R . .
H9C H 0.1079 0.7472 0.4249 0.209 Uiso 1 1 calc R . .
C10 C 0.2345(7) 0.7407(11) 0.4394(6) 0.360(11) Uani 1 1 d U . .
H10A H 0.2526 0.7621 0.5009 0.539 Uiso 1 1 calc R . .
H10B H 0.2121 0.8023 0.4029 0.539 Uiso 1 1 calc R . .
H10C H 0.2721 0.7156 0.4240 0.539 Uiso 1 1 calc R . .
C11 C -0.0834(2) 0.5827(4) 0.1935(3) 0.0807(12) Uani 1 1 d U . .
H11A H -0.1013 0.5479 0.1355 0.097 Uiso 1 1 calc R . .
H11B H -0.0754 0.6599 0.1867 0.097 Uiso 1 1 calc R . .
C12 C -0.1327(2) 0.5664(5) 0.2414(4) 0.1058(17) Uani 1 1 d U . .
H12A H -0.1428 0.6360 0.2627 0.127 Uiso 1 1 calc R . .
H12B H -0.1763 0.5338 0.2018 0.127 Uiso 1 1 calc R . .
C13 C -0.03176(18) 0.4828(3) 0.3167(3) 0.0578(8) Uani 1 1 d U . .
C14 C 0.02316(18) 0.4212(3) 0.3827(2) 0.0542(7) Uani 1 1 d U . .
C15 C 0.0194(2) 0.3714(3) 0.4570(3) 0.0685(10) Uani 1 1 d U . .
H15A H -0.0216 0.3754 0.4670 0.082 Uiso 1 1 calc R . .
C16 C 0.0760(3) 0.3163(4) 0.5157(3) 0.0776(11) Uani 1 1 d U . .
H16A H 0.0746 0.2834 0.5664 0.093 Uiso 1 1 calc R . .
C17 C 0.1358(2) 0.3112(3) 0.4971(2) 0.0710(10) Uani 1 1 d U . .
C18 C 0.14037(19) 0.3585(3) 0.4229(2) 0.0578(8) Uani 1 1 d U . .
H18A H 0.1809 0.3511 0.4123 0.069 Uiso 1 1 calc R . .
C19 C 0.08387(16) 0.4176(2) 0.36378(19) 0.0458(6) Uani 1 1 d U . .
C20 C 0.3961(3) 0.5170(4) -0.0475(3) 0.0844(13) Uani 1 1 d U . .
H20A H 0.3707 0.5563 -0.1015 0.127 Uiso 1 1 calc R . .
H20B H 0.3832 0.4410 -0.0554 0.127 Uiso 1 1 calc R . .
H20C H 0.4453 0.5239 -0.0331 0.127 Uiso 1 1 calc R . .
C21 C 0.37914(19) 0.5639(3) 0.0269(2) 0.0561(7) Uani 1 1 d U . .
C22 C 0.32647(18) 0.5141(3) 0.0498(2) 0.0574(8) Uani 1 1 d U . .
H22A H 0.3067 0.4438 0.0225 0.069 Uiso 1 1 calc R . .
C23 C 0.30904(17) 0.5548(3) 0.1176(2) 0.0591(8) Uani 1 1 d U . .
H23A H 0.2772 0.5120 0.1363 0.071 Uiso 1 1 calc R . .
C24 C 0.34564(19) 0.6427(3) 0.1713(2) 0.0601(8) Uani 1 1 d U . .
C25 C 0.4017(2) 0.6874(3) 0.1534(2) 0.0627(8) Uani 1 1 d U . .
H25A H 0.4340 0.7386 0.1961 0.075 Uiso 1 1 calc R . .
C26 C 0.4157(2) 0.6515(3) 0.0786(2) 0.0608(8) Uani 1 1 d U . .
H26A H 0.4593 0.6745 0.0742 0.073 Uiso 1 1 calc R . .
C27 C 0.3230(2) 0.6832(4) 0.2450(3) 0.0809(12) Uani 1 1 d U . .
H27A H 0.2922 0.6262 0.2515 0.097 Uiso 1 1 calc R . .
C28 C 0.2782(4) 0.7842(6) 0.2137(4) 0.151(3) Uani 1 1 d U . .
H28A H 0.2643 0.8097 0.2600 0.226 Uiso 1 1 calc R . .
H28B H 0.2374 0.7667 0.1618 0.226 Uiso 1 1 calc R . .
H28C H 0.3043 0.8406 0.1994 0.226 Uiso 1 1 calc R . .
C29 C 0.3781(3) 0.6962(5) 0.3320(3) 0.0961(16) Uani 1 1 d U . .
H29A H 0.4041 0.6292 0.3491 0.144 Uiso 1 1 calc R . .
H29B H 0.3581 0.7136 0.3744 0.144 Uiso 1 1 calc R . .
H29C H 0.4086 0.7544 0.3304 0.144 Uiso 1 1 calc R . .
C30 C 0.58289(19) 0.5894(4) 0.2738(3) 0.0740(10) Uani 1 1 d U . .
H30A H 0.5757 0.6668 0.2592 0.089 Uiso 1 1 calc R . .
H30B H 0.5999 0.5539 0.2330 0.089 Uiso 1 1 calc R . .
C31 C 0.6327(2) 0.5725(5) 0.3697(3) 0.0925(14) Uani 1 1 d U . .
H31A H 0.6760 0.5397 0.3725 0.111 Uiso 1 1 calc R . .
H31B H 0.6431 0.6418 0.4013 0.111 Uiso 1 1 calc R . .
C32 C 0.53082(17) 0.4904(3) 0.3455(2) 0.0523(7) Uani 1 1 d U . .
C33 C 0.47577(16) 0.4305(3) 0.35773(18) 0.0474(6) Uani 1 1 d U . .
C34 C 0.4806(2) 0.3772(3) 0.4351(2) 0.0611(9) Uani 1 1 d U . .
H34A H 0.5222 0.3795 0.4851 0.073 Uiso 1 1 calc R . .
C35 C 0.4242(2) 0.3211(3) 0.4380(2) 0.0688(10) Uani 1 1 d U . .
H35A H 0.4264 0.2859 0.4895 0.083 Uiso 1 1 calc R . .
C36 C 0.3643(2) 0.3191(3) 0.3614(3) 0.0612(9) Uani 1 1 d U . .
C37 C 0.35798(17) 0.3707(3) 0.2835(2) 0.0513(7) Uani 1 1 d U . .
H37A H 0.3165 0.3658 0.2334 0.062 Uiso 1 1 calc R . .
C38 C 0.41415(15) 0.4302(2) 0.27998(17) 0.0416(6) Uani 1 1 d U . .
Ru2 Ru 0.419239(12) 0.514039(19) 0.173514(15) 0.04056(8) Uani 1 1 d U . .
C1 C 0.0975(2) 0.5137(3) 0.0498(3) 0.0728(11) Uiso 1 1 d U . .
H1A H 0.0612 0.5592 0.0096 0.109 Uiso 1 1 calc R . .
H1B H 0.0813 0.4393 0.0451 0.109 Uiso 1 1 calc R . .
H1C H 0.1378 0.5170 0.0349 0.109 Uiso 1 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 C19 2.053(3) . ?
Ru1 N1 2.078(3) . ?
Ru1 C4 2.145(4) . ?
Ru1 C6 2.167(3) . ?
Ru1 C5 2.174(3) . ?
Ru1 C7 2.178(3) . ?
Ru1 C3 2.272(3) . ?
Ru1 C2 2.307(3) . ?
Ru1 Cl1 2.4004(8) . ?
O1 C13 1.344(4) . ?
O1 C12 1.456(7) . ?
N1 C13 1.271(5) . ?
N1 C11 1.466(5) . ?
Cl2 C17 1.753(4) . ?
O2 C32 1.348(4) . ?
O2 C31 1.473(6) . ?
N2 C32 1.269(4) . ?
N2 C30 1.471(4) . ?
N2 Ru2 2.079(3) . ?
C2 C3 1.387(5) . ?
C2 C7 1.432(4) . ?
C2 C1 1.496(5) . ?
Cl3 C36 1.755(4) . ?
C3 C4 1.437(6) . ?
C3 H3A 0.9800 . ?
Cl4 Ru2 2.3959(9) . ?
C4 C5 1.408(6) . ?
C4 H4A 0.9800 . ?
C5 C6 1.405(5) . ?
C5 C8 1.550(6) . ?
C6 C7 1.393(5) . ?
C6 H6A 0.9800 . ?
C7 H7A 0.9800 . ?
C8 C9 1.418(7) . ?
C8 C10 1.444(8) . ?
C8 H8A 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 1.528(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.439(5) . ?
C14 C15 1.386(5) . ?
C14 C19 1.414(4) . ?
C15 C16 1.369(6) . ?
C15 H15A 0.9300 . ?
C16 C17 1.393(6) . ?
C16 H16A 0.9300 . ?
C17 C18 1.379(5) . ?
C18 C19 1.395(5) . ?
C18 H18A 0.9300 . ?
C20 C21 1.505(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C26 1.389(5) . ?
C21 C22 1.425(5) . ?
C21 Ru2 2.288(3) . ?
C22 C23 1.384(5) . ?
C22 Ru2 2.182(3) . ?
C22 H22A 0.9800 . ?
C23 C24 1.406(5) . ?
C23 Ru2 2.168(3) . ?
C23 H23A 0.9800 . ?
C24 C25 1.418(5) . ?
C24 C27 1.536(5) . ?
C24 Ru2 2.183(3) . ?
C25 C26 1.431(5) . ?
C25 Ru2 2.150(3) . ?
C25 H25A 0.9800 . ?
C26 Ru2 2.266(3) . ?
C26 H26A 0.9800 . ?
C27 C29 1.444(6) . ?
C27 C28 1.509(7) . ?
C27 H27A 0.9800 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.517(6) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.437(5) . ?
C33 C34 1.388(4) . ?
C33 C38 1.408(4) . ?
C34 C35 1.377(6) . ?
C34 H34A 0.9300 . ?
C35 C36 1.379(6) . ?
C35 H35A 0.9300 . ?
C36 C37 1.378(4) . ?
C37 C38 1.396(4) . ?
C37 H37A 0.9300 . ?
C38 Ru2 2.055(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C19 Ru1 N1 77.34(12) . . ?
C19 Ru1 C4 121.19(15) . . ?
N1 Ru1 C4 93.49(14) . . ?
C19 Ru1 C6 93.37(12) . . ?
N1 Ru1 C6 150.83(13) . . ?
C4 Ru1 C6 67.51(16) . . ?
C19 Ru1 C5 93.60(13) . . ?
N1 Ru1 C5 114.39(13) . . ?
C4 Ru1 C5 38.04(16) . . ?
C6 Ru1 C5 37.76(15) . . ?
C19 Ru1 C7 118.20(12) . . ?
N1 Ru1 C7 164.40(12) . . ?
C4 Ru1 C7 79.72(13) . . ?
C6 Ru1 C7 37.41(12) . . ?
C5 Ru1 C7 68.28(13) . . ?
C19 Ru1 C3 159.02(14) . . ?
N1 Ru1 C3 100.62(13) . . ?
C4 Ru1 C3 37.83(15) . . ?
C6 Ru1 C3 78.23(14) . . ?
C5 Ru1 C3 67.95(15) . . ?
C7 Ru1 C3 65.47(13) . . ?
C19 Ru1 C2 155.05(12) . . ?
N1 Ru1 C2 127.31(12) . . ?
C4 Ru1 C2 66.67(14) . . ?
C6 Ru1 C2 66.82(12) . . ?
C5 Ru1 C2 80.01(13) . . ?
C7 Ru1 C2 37.09(12) . . ?
C3 Ru1 C2 35.26(13) . . ?
C19 Ru1 Cl1 86.03(8) . . ?
N1 Ru1 Cl1 85.25(8) . . ?
C4 Ru1 Cl1 151.86(13) . . ?
C6 Ru1 Cl1 122.07(11) . . ?
C5 Ru1 Cl1 159.82(12) . . ?
C7 Ru1 Cl1 94.12(9) . . ?
C3 Ru1 Cl1 114.77(11) . . ?
C2 Ru1 Cl1 91.85(9) . . ?
C13 O1 C12 105.1(4) . . ?
C13 N1 C11 109.3(3) . . ?
C13 N1 Ru1 116.4(2) . . ?
C11 N1 Ru1 133.9(3) . . ?
C32 O2 C31 104.7(3) . . ?
C32 N2 C30 109.1(3) . . ?
C32 N2 Ru2 116.2(2) . . ?
C30 N2 Ru2 134.4(3) . . ?
C3 C2 C7 117.3(3) . . ?
C3 C2 C1 123.4(3) . . ?
C7 C2 C1 119.2(3) . . ?
C3 C2 Ru1 70.97(19) . . ?
C7 C2 Ru1 66.54(17) . . ?
C1 C2 Ru1 131.2(3) . . ?
C2 C3 C4 120.4(4) . . ?
C2 C3 Ru1 73.77(19) . . ?
C4 C3 Ru1 66.3(2) . . ?
C2 C3 H3A 118.8 . . ?
C4 C3 H3A 118.8 . . ?
Ru1 C3 H3A 118.8 . . ?
C5 C4 C3 121.8(3) . . ?
C5 C4 Ru1 72.1(2) . . ?
C3 C4 Ru1 75.9(2) . . ?
C5 C4 H4A 119.0 . . ?
C3 C4 H4A 119.0 . . ?
Ru1 C4 H4A 119.0 . . ?
C6 C5 C4 116.9(3) . . ?
C6 C5 C8 118.3(4) . . ?
C4 C5 C8 124.8(4) . . ?
C6 C5 Ru1 70.87(19) . . ?
C4 C5 Ru1 69.9(2) . . ?
C8 C5 Ru1 130.5(3) . . ?
C7 C6 C5 121.6(3) . . ?
C7 C6 Ru1 71.71(18) . . ?
C5 C6 Ru1 71.4(2) . . ?
C7 C6 H6A 118.5 . . ?
C5 C6 H6A 118.5 . . ?
Ru1 C6 H6A 118.5 . . ?
C6 C7 C2 121.6(3) . . ?
C6 C7 Ru1 70.88(19) . . ?
C2 C7 Ru1 76.38(18) . . ?
C6 C7 H7A 119.0 . . ?
C2 C7 H7A 119.0 . . ?
Ru1 C7 H7A 119.0 . . ?
C9 C8 C10 110.3(7) . . ?
C9 C8 C5 116.0(5) . . ?
C10 C8 C5 108.2(5) . . ?
C9 C8 H8A 107.3 . . ?
C10 C8 H8A 107.3 . . ?
C5 C8 H8A 107.3 . . ?
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 . . ?
N1 C11 C12 101.9(4) . . ?
N1 C11 H11A 111.4 . . ?
C12 C11 H11A 111.4 . . ?
N1 C11 H11B 111.4 . . ?
C12 C11 H11B 111.4 . . ?
H11A C11 H11B 109.3 . . ?
O1 C12 C11 105.8(3) . . ?
O1 C12 H12A 110.6 . . ?
C11 C12 H12A 110.6 . . ?
O1 C12 H12B 110.6 . . ?
C11 C12 H12B 110.6 . . ?
H12A C12 H12B 108.7 . . ?
N1 C13 O1 117.3(4) . . ?
N1 C13 C14 118.9(3) . . ?
O1 C13 C14 123.8(4) . . ?
C15 C14 C19 122.6(3) . . ?
C15 C14 C13 125.8(3) . . ?
C19 C14 C13 111.6(3) . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C17 117.8(3) . . ?
C15 C16 H16A 121.1 . . ?
C17 C16 H16A 121.1 . . ?
C18 C17 C16 123.2(4) . . ?
C18 C17 Cl2 117.9(3) . . ?
C16 C17 Cl2 118.9(3) . . ?
C17 C18 C19 119.7(3) . . ?
C17 C18 H18A 120.2 . . ?
C19 C18 H18A 120.2 . . ?
C18 C19 C14 116.6(3) . . ?
C18 C19 Ru1 127.7(2) . . ?
C14 C19 Ru1 115.7(2) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 117.6(3) . . ?
C26 C21 C20 122.5(4) . . ?
C22 C21 C20 119.8(4) . . ?
C26 C21 Ru2 71.34(18) . . ?
C22 C21 Ru2 67.39(17) . . ?
C20 C21 Ru2 129.7(3) . . ?
C23 C22 C21 121.7(3) . . ?
C23 C22 Ru2 70.93(19) . . ?
C21 C22 Ru2 75.54(19) . . ?
C23 C22 H22A 118.9 . . ?
C21 C22 H22A 118.9 . . ?
Ru2 C22 H22A 118.9 . . ?
C22 C23 C24 121.6(3) . . ?
C22 C23 Ru2 72.0(2) . . ?
C24 C23 Ru2 71.71(19) . . ?
C22 C23 H23A 118.6 . . ?
C24 C23 H23A 118.6 . . ?
Ru2 C23 H23A 118.6 . . ?
C23 C24 C25 117.0(3) . . ?
C23 C24 C27 118.5(4) . . ?
C25 C24 C27 124.5(4) . . ?
C23 C24 Ru2 70.6(2) . . ?
C25 C24 Ru2 69.63(19) . . ?
C27 C24 Ru2 130.3(2) . . ?
C24 C25 C26 121.1(3) . . ?
C24 C25 Ru2 72.2(2) . . ?
C26 C25 Ru2 75.5(2) . . ?
C24 C25 H25A 119.3 . . ?
C26 C25 H25A 119.3 . . ?
Ru2 C25 H25A 119.3 . . ?
C21 C26 C25 120.5(3) . . ?
C21 C26 Ru2 73.13(18) . . ?
C25 C26 Ru2 66.75(18) . . ?
C21 C26 H26A 118.6 . . ?
C25 C26 H26A 118.6 . . ?
Ru2 C26 H26A 118.6 . . ?
C29 C27 C28 113.0(5) . . ?
C29 C27 C24 116.0(4) . . ?
C28 C27 C24 109.6(4) . . ?
C29 C27 H27A 105.8 . . ?
C28 C27 H27A 105.8 . . ?
C24 C27 H27A 105.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N2 C30 C31 102.4(3) . . ?
N2 C30 H30A 111.3 . . ?
C31 C30 H30A 111.3 . . ?
N2 C30 H30B 111.3 . . ?
C31 C30 H30B 111.3 . . ?
H30A C30 H30B 109.2 . . ?
O2 C31 C30 105.5(3) . . ?
O2 C31 H31A 110.6 . . ?
C30 C31 H31A 110.6 . . ?
O2 C31 H31B 110.6 . . ?
C30 C31 H31B 110.6 . . ?
H31A C31 H31B 108.8 . . ?
N2 C32 O2 117.4(3) . . ?
N2 C32 C33 119.1(3) . . ?
O2 C32 C33 123.5(3) . . ?
C34 C33 C38 122.4(3) . . ?
C34 C33 C32 125.9(3) . . ?
C38 C33 C32 111.7(3) . . ?
C35 C34 C33 120.3(3) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C34 C35 C36 117.2(3) . . ?
C34 C35 H35A 121.4 . . ?
C36 C35 H35A 121.4 . . ?
C35 C36 C37 123.8(3) . . ?
C35 C36 Cl3 118.4(3) . . ?
C37 C36 Cl3 117.8(3) . . ?
C36 C37 C38 119.7(3) . . ?
C36 C37 H37A 120.1 . . ?
C38 C37 H37A 120.1 . . ?
C37 C38 C33 116.5(3) . . ?
C37 C38 Ru2 127.9(2) . . ?
C33 C38 Ru2 115.6(2) . . ?
C38 Ru2 N2 77.34(11) . . ?
C38 Ru2 C25 123.84(13) . . ?
N2 Ru2 C25 92.38(13) . . ?
C38 Ru2 C23 94.28(12) . . ?
N2 Ru2 C23 149.49(13) . . ?
C25 Ru2 C23 67.77(15) . . ?
C38 Ru2 C22 117.66(12) . . ?
N2 Ru2 C22 164.99(12) . . ?
C25 Ru2 C22 79.75(14) . . ?
C23 Ru2 C22 37.11(14) . . ?
C38 Ru2 C24 95.96(12) . . ?
N2 Ru2 C24 113.19(13) . . ?
C25 Ru2 C24 38.19(14) . . ?
C23 Ru2 C24 37.71(14) . . ?
C22 Ru2 C24 67.86(14) . . ?
C38 Ru2 C26 161.54(12) . . ?
N2 Ru2 C26 100.52(13) . . ?
C25 Ru2 C26 37.71(14) . . ?
C23 Ru2 C26 78.21(13) . . ?
C22 Ru2 C26 65.50(13) . . ?
C24 Ru2 C26 67.75(13) . . ?
C38 Ru2 C21 154.04(12) . . ?
N2 Ru2 C21 127.98(12) . . ?
C25 Ru2 C21 66.92(13) . . ?
C23 Ru2 C21 66.75(13) . . ?
C22 Ru2 C21 37.07(13) . . ?
C24 Ru2 C21 79.92(12) . . ?
C26 Ru2 C21 35.53(13) . . ?
C38 Ru2 Cl4 85.03(8) . . ?
N2 Ru2 Cl4 86.25(8) . . ?
C25 Ru2 Cl4 150.09(11) . . ?
C23 Ru2 Cl4 122.64(11) . . ?
C22 Ru2 Cl4 94.22(10) . . ?
C24 Ru2 Cl4 160.33(11) . . ?
C26 Ru2 Cl4 113.26(10) . . ?
C21 Ru2 Cl4 90.59(9) . . ?
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 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.68
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.094
####################################################################### 
# 
# 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_jwg2e
_database_code_depnum_ccdc_archive 'CCDC 1445905'
_audit_update_record             
;
2016-01-07 deposited with the CCDC.
2016-08-08 downloaded from the CCDC.
;
_audit_creation_date             2016-01-07
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.11.10 svn.r3248 for OlexSys, GUI svn.r5133)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H21 Br Cl N O Ru'
_chemical_formula_sum            'C19 H21 Br Cl N O Ru'
_chemical_formula_weight         495.80
_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'
Br Br -0.2901 2.4595 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   21.0729(12)
_cell_length_b                   12.2096(7)
_cell_length_c                   16.3538(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.8040(10)
_cell_angle_gamma                90.00
_cell_volume                     3878.8(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9913
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      27.2163
_cell_measurement_theta_min      2.6095
_exptl_absorpt_coefficient_mu    3.012
_exptl_absorpt_correction_T_max  0.6132
_exptl_absorpt_correction_T_min  0.5704
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32953
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_diffrn_reflns_theta_min         1.97
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_special_details          ?
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                6518
_reflns_number_total             8979
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.712
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         8979
_refine_ls_number_restraints     553
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0334
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0323P)²+2.8155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0835
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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, All C(H,H,H,H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Others
 Sof(H10D)=Sof(H10E)=Sof(H10F)=Sof(C8A)=Sof(H8A)=Sof(C9A)=Sof(H9AA)=Sof(H9AB)=
 Sof(H9AC)=1-FVAR(1)
 Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=Sof(H10A)=Sof(H10B)=
 Sof(H10C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C22(H22), C23(H23), C25(H25),
 C26(H26), C27(H27), C8A(H8A)
5.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C30(H30A,H30B), C31(H31A,H31B)
5.c Me refined with riding coordinates:
 C10(H10A,H10B,H10C), C10(H10D,H10E,H10F), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C)
5.d Aromatic/amide H refined with riding coordinates:
 C18(H18), C16(H16), C15(H15), C37(H37), C35(H35), C34(H34)
5.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C9(H9A,H9B,H9C), C20(H20A,H20B,H20C), C9A(H9AA,H9AB,H9AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ru1 Ru 0.077624(13) 0.005309(19) 0.325039(15) 0.04029(7) Uani 1 d A . . U
Br1 Br 0.21019(3) -0.25233(5) 0.12810(4) 0.1151(2) Uani 1 d A . . U
Cl1 Cl 0.02864(5) -0.16019(7) 0.35430(5) 0.0582(2) Uani 1 d . . . U
O1 O -0.09697(14) -0.0033(3) 0.09172(19) 0.0855(9) Uani 1 d . . . U
N1 N -0.01949(14) 0.0332(2) 0.22801(19) 0.0528(6) Uani 1 d . . . U
C1 C 0.0964(2) 0.0170(4) 0.5454(2) 0.0743(11) Uani 1 d . . . U
H1A H 0.1362 0.0183 0.6001 0.112 Uiso 1 calc . . GR .
H1B H 0.0794 -0.0566 0.5329 0.112 Uiso 1 calc . . GR .
H1C H 0.0613 0.0634 0.5504 0.112 Uiso 1 calc . . GR .
Br2 Br 0.29003(3) 0.75022(4) -0.08237(3) 0.09633(18) Uani 1 d . . . U
Cl2 Cl 0.46304(5) 0.65389(7) 0.32033(6) 0.0612(2) Uani 1 d . . . U
O2 O 0.59643(13) 0.5021(2) 0.1901(2) 0.0739(8) Uani 1 d . . . U
N2 N 0.51812(13) 0.4617(2) 0.24698(18) 0.0510(6) Uani 1 d . . . U
C2 C 0.11586(17) 0.0573(3) 0.4715(2) 0.0514(7) Uani 1 d A . . U
C3 C 0.0843(2) 0.1460(3) 0.4185(3) 0.0655(9) Uani 1 d . . . U
H3 H 0.0417 0.1749 0.4209 0.079 Uiso 1 calc . . R .
C4 C 0.1021(2) 0.1761(3) 0.3448(3) 0.0698(10) Uani 1 d A . . U
H4 H 0.0731 0.2290 0.3012 0.084 Uiso 1 calc . . R .
C5 C 0.1559(2) 0.1247(3) 0.3297(2) 0.0649(9) Uani 1 d . . . U
C6 C 0.18770(17) 0.0351(3) 0.3842(2) 0.0536(8) Uani 1 d A . . U
H6 H 0.2183 -0.0120 0.3674 0.064 Uiso 1 calc . . R .
C7 C 0.16626(16) -0.0003(3) 0.4503(2) 0.0468(7) Uani 1 d . . . U
H7 H 0.1822 -0.0716 0.4781 0.056 Uiso 1 calc A . R .
C8 C 0.1878(12) 0.1496(19) 0.2532(17) 0.079(4) Uani 0.419(17) d A 1 . U
H8 H 0.1984 0.0775 0.2355 0.095 Uiso 0.419(17) calc A 1 R .
C9 C 0.2541(7) 0.2028(14) 0.2971(9) 0.092(4) Uani 0.419(17) d A 1 . U
H9A H 0.2484 0.2673 0.3271 0.138 Uiso 0.419(17) calc A 1 GR .
H9B H 0.2724 0.2228 0.2538 0.138 Uiso 0.419(17) calc A 1 GR .
H9C H 0.2853 0.1534 0.3394 0.138 Uiso 0.419(17) calc A 1 GR .
C10 C 0.1304(3) 0.1920(6) 0.1749(4) 0.132(2) Uani 1 d . . . U
H10A H 0.0924 0.1418 0.1584 0.198 Uiso 0.419(17) calc A 1 R .
H10B H 0.1451 0.1999 0.1265 0.198 Uiso 0.419(17) calc A 1 R .
H10C H 0.1163 0.2620 0.1886 0.198 Uiso 0.419(17) calc A 1 R .
H10D H 0.1551 0.2193 0.1406 0.198 Uiso 0.581(17) calc A 2 R .
H10E H 0.0987 0.2468 0.1778 0.198 Uiso 0.581(17) calc A 2 R .
H10F H 0.1055 0.1272 0.1473 0.198 Uiso 0.581(17) calc A 2 R .
C11 C -0.0819(2) 0.0870(4) 0.2271(3) 0.0796(12) Uani 1 d . . . U
H11A H -0.0740 0.1642 0.2413 0.096 Uiso 1 calc . . R .
H11B H -0.0985 0.0525 0.2685 0.096 Uiso 1 calc . . R .
C12 C -0.1320(2) 0.0703(5) 0.1316(3) 0.1015(16) Uani 1 d . . . U
H12A H -0.1745 0.0376 0.1297 0.122 Uiso 1 calc . . R .
H12B H -0.1426 0.1396 0.1002 0.122 Uiso 1 calc . . R .
C13 C -0.03297(17) -0.0126(3) 0.1532(2) 0.0549(8) Uani 1 d . . . U
C14 C 0.02078(17) -0.0738(3) 0.1397(2) 0.0500(7) Uani 1 d A . . U
C19 C 0.08166(16) -0.0763(2) 0.21709(19) 0.0431(7) Uani 1 d . . . U
C18 C 0.13698(18) -0.1336(3) 0.2118(2) 0.0522(8) Uani 1 d A . . U
H18 H 0.1779 -0.1399 0.2614 0.063 Uiso 1 calc . . R .
C17 C 0.1308(2) -0.1811(3) 0.1324(3) 0.0627(9) Uani 1 d . . . U
C16 C 0.0710(2) -0.1780(3) 0.0568(2) 0.0693(10) Uani 1 d A . . U
H16 H 0.0686 -0.2116 0.0046 0.083 Uiso 1 calc . . R .
C15 C 0.0154(2) -0.1237(3) 0.0612(2) 0.0631(9) Uani 1 d . . . U
H15 H -0.0258 -0.1204 0.0117 0.076 Uiso 1 calc A . R .
C20 C 0.3987(3) 0.4796(3) 0.4428(3) 0.0804(12) Uani 1 d . . . U
H20A H 0.4098 0.5559 0.4431 0.121 Uiso 1 calc . . GR .
H20B H 0.4377 0.4410 0.4841 0.121 Uiso 1 calc . . GR .
H20C H 0.3602 0.4712 0.4597 0.121 Uiso 1 calc . . GR .
C21 C 0.38080(19) 0.4337(3) 0.3511(2) 0.0559(8) Uani 1 d . . . U
C22 C 0.32895(18) 0.4850(3) 0.2770(2) 0.0547(8) Uani 1 d . . . U
H22 H 0.3101 0.5554 0.2858 0.066 Uiso 1 calc . . R .
C23 C 0.31088(17) 0.4460(3) 0.1918(2) 0.0539(8) Uani 1 d . . . U
H23 H 0.2796 0.4899 0.1424 0.065 Uiso 1 calc . . R .
C24 C 0.34645(18) 0.3582(3) 0.1726(2) 0.0558(8) Uani 1 d . . . U
C25 C 0.40092(19) 0.3119(3) 0.2451(2) 0.0580(8) Uani 1 d . . . U
H25 H 0.4324 0.2607 0.2337 0.070 Uiso 1 calc . . R .
C26 C 0.4158(2) 0.3467(3) 0.3345(2) 0.0597(9) Uani 1 d . . . U
H26 H 0.4588 0.3224 0.3815 0.072 Uiso 1 calc . . R .
C27 C 0.3239(2) 0.3175(4) 0.0768(3) 0.0729(11) Uani 1 d . . . U
H27 H 0.2957 0.3763 0.0395 0.088 Uiso 1 calc . . R .
C28 C 0.2764(3) 0.2204(5) 0.0625(4) 0.136(3) Uani 1 d . . . U
H28A H 0.2411 0.2375 0.0839 0.203 Uiso 1 calc . . R .
H28B H 0.3023 0.1583 0.0941 0.203 Uiso 1 calc . . R .
H28C H 0.2557 0.2037 0.0003 0.203 Uiso 1 calc . . R .
C29 C 0.3794(2) 0.2988(4) 0.0462(3) 0.0967(15) Uani 1 d . . . U
H29A H 0.4077 0.3631 0.0570 0.145 Uiso 1 calc . . R .
H29B H 0.3602 0.2833 -0.0163 0.145 Uiso 1 calc . . R .
H29C H 0.4067 0.2378 0.0775 0.145 Uiso 1 calc . . R .
C30 C 0.58132(19) 0.4109(3) 0.3095(3) 0.0725(11) Uani 1 d . . . U
H30A H 0.5746 0.3335 0.3169 0.087 Uiso 1 calc . . R .
H30B H 0.5970 0.4466 0.3669 0.087 Uiso 1 calc . . R .
C31 C 0.6317(2) 0.4286(4) 0.2650(3) 0.0899(14) Uani 1 d . . . U
H31A H 0.6738 0.4618 0.3060 0.108 Uiso 1 calc . . R .
H31B H 0.6428 0.3596 0.2443 0.108 Uiso 1 calc . . R .
C32 C 0.53164(16) 0.5089(3) 0.1860(2) 0.0500(7) Uani 1 d . . . U
C33 C 0.47758(16) 0.5684(2) 0.1185(2) 0.0449(7) Uani 1 d . . . U
C38 C 0.41593(15) 0.5677(2) 0.13288(18) 0.0403(6) Uani 1 d . . . U
C37 C 0.36090(16) 0.6249(2) 0.0717(2) 0.0470(7) Uani 1 d . . . U
H37 H 0.3192 0.6285 0.0788 0.056 Uiso 1 calc . . R .
C36 C 0.36805(18) 0.6761(3) 0.0007(2) 0.0528(8) Uani 1 d . . . U
C35 C 0.4285(2) 0.6756(3) -0.0135(2) 0.0615(9) Uani 1 d . . . U
H35 H 0.4316 0.7110 -0.0621 0.074 Uiso 1 calc . . R .
C34 C 0.48390(19) 0.6211(3) 0.0468(2) 0.0555(8) Uani 1 d . . . U
H34 H 0.5256 0.6195 0.0396 0.067 Uiso 1 calc . . R .
Ru2 Ru 0.419701(13) 0.484897(19) 0.244255(15) 0.04009(7) Uani 1 d . . . U
C8A C 0.1756(9) 0.1676(16) 0.2581(10) 0.109(5) Uani 0.581(17) d A 2 . U
H8A H 0.2105 0.1183 0.2527 0.131 Uiso 0.581(17) calc A 2 R .
C9A C 0.2107(13) 0.2830(18) 0.2890(8) 0.209(12) Uani 0.581(17) d A 2 . U
H9AA H 0.1775 0.3334 0.2940 0.313 Uiso 0.581(17) calc A 2 GR .
H9AB H 0.2277 0.3099 0.2461 0.313 Uiso 0.581(17) calc A 2 GR .
H9AC H 0.2482 0.2756 0.3455 0.313 Uiso 0.581(17) calc A 2 GR .


_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 2.4001(8) . ?
Ru1 N1 2.075(3) . ?
Ru1 C2 2.301(3) . ?
Ru1 C3 2.267(3) . ?
Ru1 C4 2.142(3) . ?
Ru1 C5 2.181(3) . ?
Ru1 C6 2.170(3) . ?
Ru1 C7 2.174(3) . ?
Ru1 C19 2.057(3) . ?
Br1 C17 1.911(4) . ?
O1 C12 1.467(6) . ?
O1 C13 1.338(4) . ?
N1 C11 1.464(4) . ?
N1 C13 1.274(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.501(5) . ?
Br2 C36 1.907(3) . ?
Cl2 Ru2 2.3997(9) . ?
O2 C31 1.466(5) . ?
O2 C32 1.343(4) . ?
N2 C30 1.465(4) . ?
N2 C32 1.276(4) . ?
N2 Ru2 2.077(3) . ?
C2 C3 1.386(5) . ?
C2 C7 1.424(4) . ?
C3 H3 0.9800 . ?
C3 C4 1.440(5) . ?
C4 H4 0.9800 . ?
C4 C5 1.401(6) . ?
C5 C6 1.406(5) . ?
C5 C8 1.66(2) . ?
C5 C8A 1.481(14) . ?
C6 H6 0.9800 . ?
C6 C7 1.392(4) . ?
C7 H7 0.9800 . ?
C8 H8 0.9800 . ?
C8 C9 1.45(3) . ?
C8 C10 1.47(2) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 H10D 0.9600 . ?
C10 H10E 0.9600 . ?
C10 H10F 0.9600 . ?
C10 C8A 1.359(17) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.522(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.444(5) . ?
C14 C19 1.411(4) . ?
C14 C15 1.384(5) . ?
C19 C18 1.391(4) . ?
C18 H18 0.9300 . ?
C18 C17 1.381(4) . ?
C17 C16 1.383(5) . ?
C16 H16 0.9300 . ?
C16 C15 1.373(6) . ?
C15 H15 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 C21 1.505(5) . ?
C21 C22 1.425(5) . ?
C21 C26 1.379(5) . ?
C21 Ru2 2.286(3) . ?
C22 H22 0.9800 . ?
C22 C23 1.380(5) . ?
C22 Ru2 2.177(3) . ?
C23 H23 0.9800 . ?
C23 C24 1.411(5) . ?
C23 Ru2 2.167(3) . ?
C24 C25 1.410(5) . ?
C24 C27 1.532(5) . ?
C24 Ru2 2.179(3) . ?
C25 H25 0.9800 . ?
C25 C26 1.435(5) . ?
C25 Ru2 2.150(3) . ?
C26 H26 0.9800 . ?
C26 Ru2 2.264(3) . ?
C27 H27 0.9800 . ?
C27 C28 1.510(6) . ?
C27 C29 1.457(6) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.516(6) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.439(5) . ?
C33 C38 1.407(4) . ?
C33 C34 1.387(4) . ?
C38 C37 1.390(4) . ?
C38 Ru2 2.058(3) . ?
C37 H37 0.9300 . ?
C37 C36 1.378(4) . ?
C36 C35 1.380(5) . ?
C35 H35 0.9300 . ?
C35 C34 1.374(5) . ?
C34 H34 0.9300 . ?
C8A H8A 0.9800 . ?
C8A C9A 1.58(2) . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?

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
N1 Ru1 Cl1 85.29(8) . . ?
N1 Ru1 C2 126.47(12) . . ?
N1 Ru1 C3 100.14(13) . . ?
N1 Ru1 C4 93.65(13) . . ?
N1 Ru1 C5 115.19(13) . . ?
N1 Ru1 C6 151.69(12) . . ?
N1 Ru1 C7 163.44(12) . . ?
C2 Ru1 Cl1 91.66(9) . . ?
C3 Ru1 Cl1 115.02(11) . . ?
C3 Ru1 C2 35.30(13) . . ?
C4 Ru1 Cl1 152.39(12) . . ?
C4 Ru1 C2 66.87(14) . . ?
C4 Ru1 C3 37.99(14) . . ?
C4 Ru1 C5 37.81(15) . . ?
C4 Ru1 C6 67.46(15) . . ?
C4 Ru1 C7 79.61(13) . . ?
C5 Ru1 Cl1 159.03(11) . . ?
C5 Ru1 C2 79.88(13) . . ?
C5 Ru1 C3 67.76(15) . . ?
C6 Ru1 Cl1 121.35(10) . . ?
C6 Ru1 C2 66.86(12) . . ?
C6 Ru1 C3 78.22(13) . . ?
C6 Ru1 C5 37.70(14) . . ?
C6 Ru1 C7 37.39(12) . . ?
C7 Ru1 Cl1 93.70(9) . . ?
C7 Ru1 C2 36.98(11) . . ?
C7 Ru1 C3 65.31(13) . . ?
C7 Ru1 C5 68.03(13) . . ?
C19 Ru1 Cl1 85.83(8) . . ?
C19 Ru1 N1 77.29(12) . . ?
C19 Ru1 C2 155.88(12) . . ?
C19 Ru1 C3 158.89(13) . . ?
C19 Ru1 C4 120.91(14) . . ?
C19 Ru1 C5 94.08(13) . . ?
C19 Ru1 C6 94.09(12) . . ?
C19 Ru1 C7 119.17(12) . . ?
C13 O1 C12 104.6(3) . . ?
C11 N1 Ru1 134.2(3) . . ?
C13 N1 Ru1 116.7(2) . . ?
C13 N1 C11 108.8(3) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C32 O2 C31 104.8(3) . . ?
C30 N2 Ru2 134.7(3) . . ?
C32 N2 C30 108.6(3) . . ?
C32 N2 Ru2 116.5(2) . . ?
C1 C2 Ru1 130.7(2) . . ?
C3 C2 Ru1 71.00(19) . . ?
C3 C2 C1 123.1(3) . . ?
C3 C2 C7 117.1(3) . . ?
C7 C2 Ru1 66.63(16) . . ?
C7 C2 C1 119.7(3) . . ?
Ru1 C3 H3 118.7 . . ?
C2 C3 Ru1 73.70(18) . . ?
C2 C3 H3 118.7 . . ?
C2 C3 C4 120.4(3) . . ?
C4 C3 Ru1 66.29(19) . . ?
C4 C3 H3 118.7 . . ?
Ru1 C4 H4 119.1 . . ?
C3 C4 Ru1 75.7(2) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 Ru1 72.6(2) . . ?
C5 C4 C3 121.6(3) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 Ru1 69.6(2) . . ?
C4 C5 C6 117.1(3) . . ?
C4 C5 C8 130.0(7) . . ?
C4 C5 C8A 118.4(9) . . ?
C6 C5 Ru1 70.74(19) . . ?
C6 C5 C8 112.8(7) . . ?
C6 C5 C8A 124.5(9) . . ?
C8 C5 Ru1 128.1(10) . . ?
C8A C5 Ru1 130.5(7) . . ?
C8A C5 C8 11.8(14) . . ?
Ru1 C6 H6 118.8 . . ?
C5 C6 Ru1 71.6(2) . . ?
C5 C6 H6 118.8 . . ?
C7 C6 Ru1 71.44(19) . . ?
C7 C6 C5 121.1(3) . . ?
C7 C6 H6 118.8 . . ?
Ru1 C7 H7 118.7 . . ?
C2 C7 Ru1 76.39(18) . . ?
C2 C7 H7 118.7 . . ?
C6 C7 Ru1 71.17(18) . . ?
C6 C7 C2 122.2(3) . . ?
C6 C7 H7 118.7 . . ?
C5 C8 H8 105.2 . . ?
C9 C8 C5 107.6(17) . . ?
C9 C8 H8 105.2 . . ?
C9 C8 C10 125.5(17) . . ?
C10 C8 C5 106.5(13) . . ?
C10 C8 H8 105.2 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
C8 C10 H10D 100.5 . . ?
C8 C10 H10E 123.6 . . ?
C8 C10 H10F 103.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10A C10 H10D 129.8 . . ?
H10A C10 H10E 86.5 . . ?
H10A C10 H10F 25.5 . . ?
H10B C10 H10C 109.5 . . ?
H10B C10 H10D 20.4 . . ?
H10B C10 H10E 115.2 . . ?
H10B C10 H10F 89.3 . . ?
H10C C10 H10D 96.7 . . ?
H10C C10 H10E 23.4 . . ?
H10C C10 H10F 132.9 . . ?
H10D C10 H10E 109.5 . . ?
H10D C10 H10F 109.5 . . ?
H10E C10 H10F 109.5 . . ?
C8A C10 C8 14.3(15) . . ?
C8A C10 H10A 109.0 . . ?
C8A C10 H10B 121.6 . . ?
C8A C10 H10C 96.9 . . ?
C8A C10 H10D 109.5 . . ?
C8A C10 H10E 109.5 . . ?
C8A C10 H10F 109.5 . . ?
N1 C11 H11A 111.3 . . ?
N1 C11 H11B 111.3 . . ?
N1 C11 C12 102.4(4) . . ?
H11A C11 H11B 109.2 . . ?
C12 C11 H11A 111.3 . . ?
C12 C11 H11B 111.3 . . ?
O1 C12 C11 105.6(3) . . ?
O1 C12 H12A 110.6 . . ?
O1 C12 H12B 110.6 . . ?
C11 C12 H12A 110.6 . . ?
C11 C12 H12B 110.6 . . ?
H12A C12 H12B 108.7 . . ?
O1 C13 C14 123.5(3) . . ?
N1 C13 O1 117.9(4) . . ?
N1 C13 C14 118.6(3) . . ?
C19 C14 C13 111.6(3) . . ?
C15 C14 C13 125.6(3) . . ?
C15 C14 C19 122.8(3) . . ?
C14 C19 Ru1 115.7(2) . . ?
C18 C19 Ru1 127.7(2) . . ?
C18 C19 C14 116.6(3) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 C19 119.6(3) . . ?
C17 C18 H18 120.2 . . ?
C18 C17 Br1 117.4(3) . . ?
C18 C17 C16 123.5(4) . . ?
C16 C17 Br1 119.1(3) . . ?
C17 C16 H16 121.1 . . ?
C15 C16 C17 117.8(3) . . ?
C15 C16 H16 121.1 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.1 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
C20 C21 Ru2 129.3(3) . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 Ru2 67.24(17) . . ?
C26 C21 C20 122.5(3) . . ?
C26 C21 C22 117.6(3) . . ?
C26 C21 Ru2 71.48(19) . . ?
C21 C22 H22 118.8 . . ?
C21 C22 Ru2 75.63(19) . . ?
C23 C22 C21 121.9(3) . . ?
C23 C22 H22 118.8 . . ?
C23 C22 Ru2 71.09(19) . . ?
Ru2 C22 H22 118.8 . . ?
C22 C23 H23 118.5 . . ?
C22 C23 C24 121.6(3) . . ?
C22 C23 Ru2 71.9(2) . . ?
C24 C23 H23 118.5 . . ?
C24 C23 Ru2 71.51(19) . . ?
Ru2 C23 H23 118.5 . . ?
C23 C24 C27 119.5(3) . . ?
C23 C24 Ru2 70.58(19) . . ?
C25 C24 C23 116.6(3) . . ?
C25 C24 C27 123.9(3) . . ?
C25 C24 Ru2 69.87(19) . . ?
C27 C24 Ru2 130.8(2) . . ?
C24 C25 H25 119.1 . . ?
C24 C25 C26 121.6(3) . . ?
C24 C25 Ru2 72.12(19) . . ?
C26 C25 H25 119.1 . . ?
C26 C25 Ru2 75.42(19) . . ?
Ru2 C25 H25 119.1 . . ?
C21 C26 C25 120.4(3) . . ?
C21 C26 H26 118.7 . . ?
C21 C26 Ru2 73.25(18) . . ?
C25 C26 H26 118.7 . . ?
C25 C26 Ru2 66.75(18) . . ?
Ru2 C26 H26 118.7 . . ?
C24 C27 H27 105.8 . . ?
C28 C27 C24 109.7(3) . . ?
C28 C27 H27 105.8 . . ?
C29 C27 C24 115.5(3) . . ?
C29 C27 H27 105.8 . . ?
C29 C27 C28 113.3(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N2 C30 H30A 111.2 . . ?
N2 C30 H30B 111.2 . . ?
N2 C30 C31 102.8(3) . . ?
H30A C30 H30B 109.1 . . ?
C31 C30 H30A 111.2 . . ?
C31 C30 H30B 111.2 . . ?
O2 C31 C30 105.4(3) . . ?
O2 C31 H31A 110.7 . . ?
O2 C31 H31B 110.7 . . ?
C30 C31 H31A 110.7 . . ?
C30 C31 H31B 110.7 . . ?
H31A C31 H31B 108.8 . . ?
O2 C32 C33 123.8(3) . . ?
N2 C32 O2 117.6(3) . . ?
N2 C32 C33 118.6(3) . . ?
C38 C33 C32 112.1(3) . . ?
C34 C33 C32 125.2(3) . . ?
C34 C33 C38 122.8(3) . . ?
C33 C38 Ru2 115.5(2) . . ?
C37 C38 C33 116.3(3) . . ?
C37 C38 Ru2 128.2(2) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 C38 120.1(3) . . ?
C36 C37 H37 120.0 . . ?
C37 C36 Br2 118.1(3) . . ?
C37 C36 C35 123.3(3) . . ?
C35 C36 Br2 118.6(2) . . ?
C36 C35 H35 121.2 . . ?
C34 C35 C36 117.7(3) . . ?
C34 C35 H35 121.2 . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.8(3) . . ?
C35 C34 H34 120.1 . . ?
N2 Ru2 Cl2 85.98(8) . . ?
N2 Ru2 C21 126.68(12) . . ?
N2 Ru2 C22 163.80(12) . . ?
N2 Ru2 C23 150.87(12) . . ?
N2 Ru2 C24 114.09(12) . . ?
N2 Ru2 C25 92.91(12) . . ?
N2 Ru2 C26 99.95(12) . . ?
C21 Ru2 Cl2 90.92(9) . . ?
C22 Ru2 Cl2 93.78(9) . . ?
C22 Ru2 C21 37.13(12) . . ?
C22 Ru2 C24 68.03(13) . . ?
C22 Ru2 C26 65.34(13) . . ?
C23 Ru2 Cl2 121.70(10) . . ?
C23 Ru2 C21 66.73(13) . . ?
C23 Ru2 C22 37.04(12) . . ?
C23 Ru2 C24 37.91(13) . . ?
C23 Ru2 C26 78.14(13) . . ?
C24 Ru2 Cl2 159.60(10) . . ?
C24 Ru2 C21 80.08(12) . . ?
C24 Ru2 C26 67.91(13) . . ?
C25 Ru2 Cl2 151.09(10) . . ?
C25 Ru2 C21 66.73(13) . . ?
C25 Ru2 C22 79.49(13) . . ?
C25 Ru2 C23 67.55(14) . . ?
C25 Ru2 C24 38.01(13) . . ?
C25 Ru2 C26 37.83(13) . . ?
C26 Ru2 Cl2 113.94(10) . . ?
C26 Ru2 C21 35.27(12) . . ?
C38 Ru2 Cl2 85.00(8) . . ?
C38 Ru2 N2 77.38(11) . . ?
C38 Ru2 C21 155.33(12) . . ?
C38 Ru2 C22 118.77(12) . . ?
C38 Ru2 C23 94.88(12) . . ?
C38 Ru2 C24 95.54(12) . . ?
C38 Ru2 C25 122.98(13) . . ?
C38 Ru2 C26 160.81(12) . . ?
C5 C8A H8A 107.6 . . ?
C5 C8A C9A 107.6(11) . . ?
C10 C8A C5 124.6(13) . . ?
C10 C8A H8A 107.6 . . ?
C10 C8A C9A 100.6(13) . . ?
C9A C8A H8A 107.6 . . ?
C8A C9A H9AA 109.5 . . ?
C8A C9A H9AB 109.5 . . ?
C8A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?

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 N1 C11 C12 -178.1(3) . . . . ?
Ru1 N1 C13 O1 174.7(2) . . . . ?
Ru1 N1 C13 C14 -3.9(4) . . . . ?
Ru1 C2 C3 C4 -48.9(3) . . . . ?
Ru1 C2 C7 C6 57.0(3) . . . . ?
Ru1 C3 C4 C5 -58.7(3) . . . . ?
Ru1 C4 C5 C6 -54.1(3) . . . . ?
Ru1 C4 C5 C8 123.2(13) . . . . ?
Ru1 C4 C5 C8A 125.9(8) . . . . ?
Ru1 C5 C6 C7 -53.7(3) . . . . ?
Ru1 C5 C8 C9 -158.8(10) . . . . ?
Ru1 C5 C8 C10 64.4(16) . . . . ?
Ru1 C5 C8A C10 39(2) . . . . ?
Ru1 C5 C8A C9A 156.4(12) . . . . ?
Ru1 C6 C7 C2 -59.4(3) . . . . ?
Ru1 C19 C18 C17 -178.2(3) . . . . ?
Br1 C17 C16 C15 -178.2(3) . . . . ?
Cl1 Ru1 N1 C11 88.6(3) . . . . ?
Cl1 Ru1 N1 C13 -83.9(2) . . . . ?
Cl1 Ru1 C2 C1 -16.0(3) . . . . ?
Cl1 Ru1 C2 C3 -133.7(2) . . . . ?
Cl1 Ru1 C2 C7 93.94(18) . . . . ?
Cl1 Ru1 C3 C2 52.9(2) . . . . ?
Cl1 Ru1 C3 C4 -172.4(2) . . . . ?
Cl1 Ru1 C4 C3 15.0(4) . . . . ?
Cl1 Ru1 C4 C5 145.3(2) . . . . ?
Cl1 Ru1 C5 C4 -132.6(3) . . . . ?
Cl1 Ru1 C5 C6 -2.4(4) . . . . ?
Cl1 Ru1 C5 C8 102.0(9) . . . . ?
Cl1 Ru1 C5 C8A 117.0(11) . . . . ?
Cl1 Ru1 C6 C5 179.00(18) . . . . ?
Cl1 Ru1 C6 C7 -47.7(2) . . . . ?
Cl1 Ru1 C7 C2 -87.85(18) . . . . ?
Cl1 Ru1 C7 C6 140.72(19) . . . . ?
Cl1 Ru1 C19 C14 84.7(2) . . . . ?
Cl1 Ru1 C19 C18 -95.0(3) . . . . ?
O1 C13 C14 C19 -176.0(3) . . . . ?
O1 C13 C14 C15 4.9(5) . . . . ?
N1 Ru1 C2 C1 69.4(4) . . . . ?
N1 Ru1 C2 C3 -48.3(3) . . . . ?
N1 Ru1 C2 C7 179.32(17) . . . . ?
N1 Ru1 C3 C2 142.4(2) . . . . ?
N1 Ru1 C3 C4 -82.9(2) . . . . ?
N1 Ru1 C4 C3 101.8(2) . . . . ?
N1 Ru1 C4 C5 -127.8(2) . . . . ?
N1 Ru1 C5 C4 60.6(2) . . . . ?
N1 Ru1 C5 C6 -169.27(19) . . . . ?
N1 Ru1 C5 C8 -64.9(9) . . . . ?
N1 Ru1 C5 C8A -49.9(11) . . . . ?
N1 Ru1 C6 C5 20.8(4) . . . . ?
N1 Ru1 C6 C7 154.1(2) . . . . ?
N1 Ru1 C7 C2 -1.9(5) . . . . ?
N1 Ru1 C7 C6 -133.4(4) . . . . ?
N1 Ru1 C19 C14 -1.4(2) . . . . ?
N1 Ru1 C19 C18 178.9(3) . . . . ?
N1 C11 C12 O1 7.7(5) . . . . ?
N1 C13 C14 C19 2.5(4) . . . . ?
N1 C13 C14 C15 -176.6(3) . . . . ?
C1 C2 C3 Ru1 -126.8(3) . . . . ?
C1 C2 C3 C4 -175.7(3) . . . . ?
C1 C2 C7 Ru1 124.9(3) . . . . ?
C1 C2 C7 C6 -178.1(3) . . . . ?
Br2 C36 C35 C34 -179.5(2) . . . . ?
O2 C32 C33 C38 -176.4(3) . . . . ?
O2 C32 C33 C34 3.6(5) . . . . ?
N2 C30 C31 O2 8.9(4) . . . . ?
N2 C32 C33 C38 1.9(4) . . . . ?
N2 C32 C33 C34 -178.1(3) . . . . ?
C2 Ru1 N1 C11 0.0(4) . . . . ?
C2 Ru1 N1 C13 -172.5(2) . . . . ?
C2 Ru1 C3 C4 134.8(3) . . . . ?
C2 Ru1 C4 C3 -26.5(2) . . . . ?
C2 Ru1 C4 C5 103.8(2) . . . . ?
C2 Ru1 C5 C4 -65.1(2) . . . . ?
C2 Ru1 C5 C6 65.1(2) . . . . ?
C2 Ru1 C5 C8 169.4(9) . . . . ?
C2 Ru1 C5 C8A -175.6(11) . . . . ?
C2 Ru1 C6 C5 -103.9(2) . . . . ?
C2 Ru1 C6 C7 29.37(19) . . . . ?
C2 Ru1 C7 C6 -131.4(3) . . . . ?
C2 Ru1 C19 C14 169.4(3) . . . . ?
C2 Ru1 C19 C18 -10.3(5) . . . . ?
C2 C3 C4 Ru1 52.2(3) . . . . ?
C2 C3 C4 C5 -6.5(5) . . . . ?
C3 Ru1 N1 C11 -26.0(4) . . . . ?
C3 Ru1 N1 C13 161.5(3) . . . . ?
C3 Ru1 C2 C1 117.8(4) . . . . ?
C3 Ru1 C2 C7 -132.3(3) . . . . ?
C3 Ru1 C4 C5 130.3(3) . . . . ?
C3 Ru1 C5 C4 -30.5(2) . . . . ?
C3 Ru1 C5 C6 99.7(2) . . . . ?
C3 Ru1 C5 C8 -155.9(9) . . . . ?
C3 Ru1 C5 C8A -140.9(11) . . . . ?
C3 Ru1 C6 C5 -68.7(2) . . . . ?
C3 Ru1 C6 C7 64.5(2) . . . . ?
C3 Ru1 C7 C2 28.0(2) . . . . ?
C3 Ru1 C7 C6 -103.4(2) . . . . ?
C3 Ru1 C19 C14 -86.7(4) . . . . ?
C3 Ru1 C19 C18 93.7(4) . . . . ?
C3 C2 C7 Ru1 -51.7(3) . . . . ?
C3 C2 C7 C6 5.3(5) . . . . ?
C3 C4 C5 Ru1 60.2(3) . . . . ?
C3 C4 C5 C6 6.1(5) . . . . ?
C3 C4 C5 C8 -176.5(13) . . . . ?
C3 C4 C5 C8A -173.9(8) . . . . ?
C4 Ru1 N1 C11 -63.7(4) . . . . ?
C4 Ru1 N1 C13 123.8(3) . . . . ?
C4 Ru1 C2 C1 146.1(4) . . . . ?
C4 Ru1 C2 C3 28.4(2) . . . . ?
C4 Ru1 C2 C7 -104.0(2) . . . . ?
C4 Ru1 C3 C2 -134.8(3) . . . . ?
C4 Ru1 C5 C6 130.2(3) . . . . ?
C4 Ru1 C5 C8 -125.4(9) . . . . ?
C4 Ru1 C5 C8A -110.5(12) . . . . ?
C4 Ru1 C6 C5 -30.5(2) . . . . ?
C4 Ru1 C6 C7 102.8(2) . . . . ?
C4 Ru1 C7 C2 65.1(2) . . . . ?
C4 Ru1 C7 C6 -66.3(2) . . . . ?
C4 Ru1 C19 C14 -88.0(3) . . . . ?
C4 Ru1 C19 C18 92.3(3) . . . . ?
C4 C5 C6 Ru1 53.6(3) . . . . ?
C4 C5 C6 C7 -0.1(5) . . . . ?
C4 C5 C8 C9 106.6(13) . . . . ?
C4 C5 C8 C10 -30(2) . . . . ?
C4 C5 C8A C10 -47.2(19) . . . . ?
C4 C5 C8A C9A 69.8(15) . . . . ?
C5 Ru1 N1 C11 -96.1(3) . . . . ?
C5 Ru1 N1 C13 91.4(3) . . . . ?
C5 Ru1 C2 C1 -176.7(4) . . . . ?
C5 Ru1 C2 C3 65.6(2) . . . . ?
C5 Ru1 C2 C7 -66.8(2) . . . . ?
C5 Ru1 C3 C2 -104.4(2) . . . . ?
C5 Ru1 C3 C4 30.3(2) . . . . ?
C5 Ru1 C4 C3 -130.3(3) . . . . ?
C5 Ru1 C6 C7 133.3(3) . . . . ?
C5 Ru1 C7 C2 102.8(2) . . . . ?
C5 Ru1 C7 C6 -28.7(2) . . . . ?
C5 Ru1 C19 C14 -116.3(2) . . . . ?
C5 Ru1 C19 C18 64.0(3) . . . . ?
C5 C6 C7 Ru1 53.7(3) . . . . ?
C5 C6 C7 C2 -5.7(5) . . . . ?
C5 C8 C10 C8A 37(6) . . . . ?
C6 Ru1 N1 C11 -110.0(4) . . . . ?
C6 Ru1 N1 C13 77.5(4) . . . . ?
C6 Ru1 C2 C1 -139.6(4) . . . . ?
C6 Ru1 C2 C3 102.7(2) . . . . ?
C6 Ru1 C2 C7 -29.67(19) . . . . ?
C6 Ru1 C3 C2 -66.4(2) . . . . ?
C6 Ru1 C3 C4 68.3(2) . . . . ?
C6 Ru1 C4 C3 -99.9(2) . . . . ?
C6 Ru1 C4 C5 30.4(2) . . . . ?
C6 Ru1 C5 C4 -130.2(3) . . . . ?
C6 Ru1 C5 C8 104.4(9) . . . . ?
C6 Ru1 C5 C8A 119.4(12) . . . . ?
C6 Ru1 C7 C2 131.4(3) . . . . ?
C6 Ru1 C19 C14 -154.1(2) . . . . ?
C6 Ru1 C19 C18 26.2(3) . . . . ?
C6 C5 C8 C9 -75.9(15) . . . . ?
C6 C5 C8 C10 147.2(10) . . . . ?
C6 C5 C8A C10 132.9(14) . . . . ?
C6 C5 C8A C9A -110.2(13) . . . . ?
C7 Ru1 N1 C11 1.5(6) . . . . ?
C7 Ru1 N1 C13 -171.0(3) . . . . ?
C7 Ru1 C2 C1 -109.9(4) . . . . ?
C7 Ru1 C2 C3 132.3(3) . . . . ?
C7 Ru1 C3 C2 -29.3(2) . . . . ?
C7 Ru1 C3 C4 105.4(3) . . . . ?
C7 Ru1 C4 C3 -62.9(2) . . . . ?
C7 Ru1 C4 C5 67.4(2) . . . . ?
C7 Ru1 C5 C4 -101.7(2) . . . . ?
C7 Ru1 C5 C6 28.47(19) . . . . ?
C7 Ru1 C5 C8 132.9(9) . . . . ?
C7 Ru1 C5 C8A 147.8(11) . . . . ?
C7 Ru1 C6 C5 -133.3(3) . . . . ?
C7 Ru1 C19 C14 176.6(2) . . . . ?
C7 Ru1 C19 C18 -3.1(3) . . . . ?
C7 C2 C3 Ru1 49.7(3) . . . . ?
C7 C2 C3 C4 0.7(5) . . . . ?
C8 C5 C6 Ru1 -124.3(11) . . . . ?
C8 C5 C6 C7 -177.9(11) . . . . ?
C8 C5 C8A C10 123(8) . . . . ?
C8 C5 C8A C9A -120(8) . . . . ?
C8 C10 C8A C5 -128(8) . . . . ?
C8 C10 C8A C9A 112(7) . . . . ?
C9 C8 C10 C8A -90(7) . . . . ?
C11 N1 C13 O1 0.4(4) . . . . ?
C11 N1 C13 C14 -178.2(3) . . . . ?
C12 O1 C13 N1 4.8(4) . . . . ?
C12 O1 C13 C14 -176.7(3) . . . . ?
C13 O1 C12 C11 -7.6(4) . . . . ?
C13 N1 C11 C12 -5.2(4) . . . . ?
C13 C14 C19 Ru1 0.0(3) . . . . ?
C13 C14 C19 C18 179.7(3) . . . . ?
C13 C14 C15 C16 178.9(3) . . . . ?
C14 C19 C18 C17 2.1(5) . . . . ?
C19 Ru1 N1 C11 175.4(3) . . . . ?
C19 Ru1 N1 C13 2.9(2) . . . . ?
C19 Ru1 C2 C1 -99.5(4) . . . . ?
C19 Ru1 C2 C3 142.8(3) . . . . ?
C19 Ru1 C2 C7 10.4(4) . . . . ?
C19 Ru1 C3 C2 -136.7(3) . . . . ?
C19 Ru1 C3 C4 -1.9(5) . . . . ?
C19 Ru1 C4 C3 179.2(2) . . . . ?
C19 Ru1 C4 C5 -50.5(3) . . . . ?
C19 Ru1 C5 C4 138.4(2) . . . . ?
C19 Ru1 C5 C6 -91.4(2) . . . . ?
C19 Ru1 C5 C8 13.0(9) . . . . ?
C19 Ru1 C5 C8A 28.0(11) . . . . ?
C19 Ru1 C6 C5 91.4(2) . . . . ?
C19 Ru1 C6 C7 -135.3(2) . . . . ?
C19 Ru1 C7 C2 -175.13(18) . . . . ?
C19 Ru1 C7 C6 53.4(2) . . . . ?
C19 C14 C15 C16 -0.2(5) . . . . ?
C19 C18 C17 Br1 176.9(2) . . . . ?
C19 C18 C17 C16 -2.0(5) . . . . ?
C18 C17 C16 C15 0.7(6) . . . . ?
C17 C16 C15 C14 0.4(5) . . . . ?
C15 C14 C19 Ru1 179.2(2) . . . . ?
C15 C14 C19 C18 -1.1(5) . . . . ?
C20 C21 C22 C23 179.9(3) . . . . ?
C20 C21 C22 Ru2 123.5(3) . . . . ?
C20 C21 C26 C25 -174.4(3) . . . . ?
C20 C21 C26 Ru2 -125.4(3) . . . . ?
C20 C21 Ru2 Cl2 -15.6(4) . . . . ?
C20 C21 Ru2 N2 70.0(4) . . . . ?
C20 C21 Ru2 C22 -110.7(4) . . . . ?
C20 C21 Ru2 C23 -140.0(4) . . . . ?
C20 C21 Ru2 C24 -177.2(4) . . . . ?
C20 C21 Ru2 C25 145.5(4) . . . . ?
C20 C21 Ru2 C26 117.2(4) . . . . ?
C20 C21 Ru2 C38 -95.6(4) . . . . ?
C21 C22 C23 C24 -4.9(5) . . . . ?
C21 C22 C23 Ru2 -58.5(3) . . . . ?
C21 C22 Ru2 Cl2 -86.53(19) . . . . ?
C21 C22 Ru2 N2 2.1(5) . . . . ?
C21 C22 Ru2 C23 131.6(3) . . . . ?
C21 C22 Ru2 C24 103.0(2) . . . . ?
C21 C22 Ru2 C25 65.1(2) . . . . ?
C21 C22 Ru2 C26 28.1(2) . . . . ?
C21 C22 Ru2 C38 -172.90(19) . . . . ?
C21 C26 Ru2 Cl2 53.3(2) . . . . ?
C21 C26 Ru2 N2 143.3(2) . . . . ?
C21 C26 Ru2 C22 -29.5(2) . . . . ?
C21 C26 Ru2 C23 -66.3(2) . . . . ?
C21 C26 Ru2 C24 -104.6(2) . . . . ?
C21 C26 Ru2 C25 -134.8(3) . . . . ?
C21 C26 Ru2 C38 -136.5(4) . . . . ?
C22 C21 C26 C25 1.5(5) . . . . ?
C22 C21 C26 Ru2 50.5(3) . . . . ?
C22 C21 Ru2 Cl2 95.05(19) . . . . ?
C22 C21 Ru2 N2 -179.28(19) . . . . ?
C22 C21 Ru2 C23 -29.4(2) . . . . ?
C22 C21 Ru2 C24 -66.5(2) . . . . ?
C22 C21 Ru2 C25 -103.8(2) . . . . ?
C22 C21 Ru2 C26 -132.1(3) . . . . ?
C22 C21 Ru2 C38 15.1(4) . . . . ?
C22 C23 C24 C25 0.5(5) . . . . ?
C22 C23 C24 C27 179.6(3) . . . . ?
C22 C23 C24 Ru2 -53.8(3) . . . . ?
C22 C23 Ru2 Cl2 -46.4(2) . . . . ?
C22 C23 Ru2 N2 153.8(2) . . . . ?
C22 C23 Ru2 C21 29.43(19) . . . . ?
C22 C23 Ru2 C24 133.7(3) . . . . ?
C22 C23 Ru2 C25 102.7(2) . . . . ?
C22 C23 Ru2 C26 64.6(2) . . . . ?
C22 C23 Ru2 C38 -133.5(2) . . . . ?
C23 C22 Ru2 Cl2 141.87(19) . . . . ?
C23 C22 Ru2 N2 -129.5(4) . . . . ?
C23 C22 Ru2 C21 -131.6(3) . . . . ?
C23 C22 Ru2 C24 -28.6(2) . . . . ?
C23 C22 Ru2 C25 -66.5(2) . . . . ?
C23 C22 Ru2 C26 -103.5(2) . . . . ?
C23 C22 Ru2 C38 55.5(2) . . . . ?
C23 C24 C25 C26 4.8(5) . . . . ?
C23 C24 C25 Ru2 -54.6(3) . . . . ?
C23 C24 C27 C28 -96.2(5) . . . . ?
C23 C24 C27 C29 134.3(4) . . . . ?
C23 C24 Ru2 Cl2 -0.3(4) . . . . ?
C23 C24 Ru2 N2 -169.47(18) . . . . ?
C23 C24 Ru2 C21 64.7(2) . . . . ?
C23 C24 Ru2 C22 28.00(18) . . . . ?
C23 C24 Ru2 C25 129.3(3) . . . . ?
C23 C24 Ru2 C26 99.2(2) . . . . ?
C23 C24 Ru2 C38 -90.8(2) . . . . ?
C24 C23 Ru2 Cl2 179.88(16) . . . . ?
C24 C23 Ru2 N2 20.0(3) . . . . ?
C24 C23 Ru2 C21 -104.3(2) . . . . ?
C24 C23 Ru2 C22 -133.7(3) . . . . ?
C24 C23 Ru2 C25 -31.01(19) . . . . ?
C24 C23 Ru2 C26 -69.2(2) . . . . ?
C24 C23 Ru2 C38 92.8(2) . . . . ?
C24 C25 C26 C21 -5.9(5) . . . . ?
C24 C25 C26 Ru2 -57.9(3) . . . . ?
C24 C25 Ru2 Cl2 146.27(19) . . . . ?
C24 C25 Ru2 N2 -126.8(2) . . . . ?
C24 C25 Ru2 C21 104.2(2) . . . . ?
C24 C25 Ru2 C22 67.6(2) . . . . ?
C24 C25 Ru2 C23 30.94(19) . . . . ?
C24 C25 Ru2 C26 130.7(3) . . . . ?
C24 C25 Ru2 C38 -50.0(2) . . . . ?
C25 C24 C27 C28 82.8(5) . . . . ?
C25 C24 C27 C29 -46.7(5) . . . . ?
C25 C24 Ru2 Cl2 -129.6(3) . . . . ?
C25 C24 Ru2 N2 61.2(2) . . . . ?
C25 C24 Ru2 C21 -64.7(2) . . . . ?
C25 C24 Ru2 C22 -101.3(2) . . . . ?
C25 C24 Ru2 C23 -129.3(3) . . . . ?
C25 C24 Ru2 C26 -30.1(2) . . . . ?
C25 C24 Ru2 C38 139.8(2) . . . . ?
C25 C26 Ru2 Cl2 -171.84(19) . . . . ?
C25 C26 Ru2 N2 -81.8(2) . . . . ?
C25 C26 Ru2 C21 134.8(3) . . . . ?
C25 C26 Ru2 C22 105.3(2) . . . . ?
C25 C26 Ru2 C23 68.5(2) . . . . ?
C25 C26 Ru2 C24 30.3(2) . . . . ?
C25 C26 Ru2 C38 -1.7(5) . . . . ?
C26 C21 C22 C23 3.9(5) . . . . ?
C26 C21 C22 Ru2 -52.6(3) . . . . ?
C26 C21 Ru2 Cl2 -132.8(2) . . . . ?
C26 C21 Ru2 N2 -47.2(3) . . . . ?
C26 C21 Ru2 C22 132.1(3) . . . . ?
C26 C21 Ru2 C23 102.7(2) . . . . ?
C26 C21 Ru2 C24 65.6(2) . . . . ?
C26 C21 Ru2 C25 28.3(2) . . . . ?
C26 C21 Ru2 C38 147.2(3) . . . . ?
C26 C25 Ru2 Cl2 15.6(3) . . . . ?
C26 C25 Ru2 N2 102.5(2) . . . . ?
C26 C25 Ru2 C21 -26.5(2) . . . . ?
C26 C25 Ru2 C22 -63.1(2) . . . . ?
C26 C25 Ru2 C23 -99.8(2) . . . . ?
C26 C25 Ru2 C24 -130.7(3) . . . . ?
C26 C25 Ru2 C38 179.4(2) . . . . ?
C27 C24 C25 C26 -174.2(3) . . . . ?
C27 C24 C25 Ru2 126.4(3) . . . . ?
C27 C24 Ru2 Cl2 112.4(4) . . . . ?
C27 C24 Ru2 N2 -56.8(4) . . . . ?
C27 C24 Ru2 C21 177.3(4) . . . . ?
C27 C24 Ru2 C22 140.7(4) . . . . ?
C27 C24 Ru2 C23 112.7(4) . . . . ?
C27 C24 Ru2 C25 -118.0(4) . . . . ?
C27 C24 Ru2 C26 -148.1(4) . . . . ?
C27 C24 Ru2 C38 21.8(4) . . . . ?
C30 N2 C32 O2 0.8(4) . . . . ?
C30 N2 C32 C33 -177.6(3) . . . . ?
C30 N2 Ru2 Cl2 89.3(3) . . . . ?
C30 N2 Ru2 C21 1.1(4) . . . . ?
C30 N2 Ru2 C22 -0.4(6) . . . . ?
C30 N2 Ru2 C23 -107.8(4) . . . . ?
C30 N2 Ru2 C24 -94.5(3) . . . . ?
C30 N2 Ru2 C25 -61.8(3) . . . . ?
C30 N2 Ru2 C26 -24.3(3) . . . . ?
C30 N2 Ru2 C38 175.1(3) . . . . ?
C31 O2 C32 N2 5.2(4) . . . . ?
C31 O2 C32 C33 -176.4(3) . . . . ?
C32 O2 C31 C30 -8.6(4) . . . . ?
C32 N2 C30 C31 -6.2(4) . . . . ?
C32 N2 Ru2 Cl2 -83.1(2) . . . . ?
C32 N2 Ru2 C21 -171.3(2) . . . . ?
C32 N2 Ru2 C22 -172.8(4) . . . . ?
C32 N2 Ru2 C23 79.8(3) . . . . ?
C32 N2 Ru2 C24 93.1(2) . . . . ?
C32 N2 Ru2 C25 125.8(2) . . . . ?
C32 N2 Ru2 C26 163.3(2) . . . . ?
C32 N2 Ru2 C38 2.7(2) . . . . ?
C32 C33 C38 C37 178.9(3) . . . . ?
C32 C33 C38 Ru2 0.4(3) . . . . ?
C32 C33 C34 C35 -179.9(3) . . . . ?
C33 C38 C37 C36 1.4(4) . . . . ?
C33 C38 Ru2 Cl2 85.4(2) . . . . ?
C33 C38 Ru2 N2 -1.5(2) . . . . ?
C33 C38 Ru2 C21 166.7(3) . . . . ?
C33 C38 Ru2 C22 177.0(2) . . . . ?
C33 C38 Ru2 C23 -153.1(2) . . . . ?
C33 C38 Ru2 C24 -115.0(2) . . . . ?
C33 C38 Ru2 C25 -86.8(2) . . . . ?
C33 C38 Ru2 C26 -85.6(4) . . . . ?
C38 C33 C34 C35 0.1(5) . . . . ?
C38 C37 C36 Br2 178.5(2) . . . . ?
C38 C37 C36 C35 -0.9(5) . . . . ?
C37 C38 Ru2 Cl2 -92.9(3) . . . . ?
C37 C38 Ru2 N2 -179.8(3) . . . . ?
C37 C38 Ru2 C21 -11.6(5) . . . . ?
C37 C38 Ru2 C22 -1.3(3) . . . . ?
C37 C38 Ru2 C23 28.6(3) . . . . ?
C37 C38 Ru2 C24 66.7(3) . . . . ?
C37 C38 Ru2 C25 94.9(3) . . . . ?
C37 C38 Ru2 C26 96.1(4) . . . . ?
C37 C36 C35 C34 -0.1(5) . . . . ?
C36 C35 C34 C33 0.5(5) . . . . ?
C34 C33 C38 C37 -1.1(4) . . . . ?
C34 C33 C38 Ru2 -179.6(2) . . . . ?
Ru2 N2 C30 C31 -179.0(3) . . . . ?
Ru2 N2 C32 O2 175.1(2) . . . . ?
Ru2 N2 C32 C33 -3.3(4) . . . . ?
Ru2 C21 C22 C23 56.4(3) . . . . ?
Ru2 C21 C26 C25 -49.1(3) . . . . ?
Ru2 C22 C23 C24 53.6(3) . . . . ?
Ru2 C23 C24 C25 54.3(3) . . . . ?
Ru2 C23 C24 C27 -126.7(3) . . . . ?
Ru2 C24 C25 C26 59.4(3) . . . . ?
Ru2 C24 C27 C28 174.7(4) . . . . ?
Ru2 C24 C27 C29 45.2(6) . . . . ?
Ru2 C25 C26 C21 52.0(3) . . . . ?
Ru2 C38 C37 C36 179.7(2) . . . . ?
C8A C5 C6 Ru1 -126.4(9) . . . . ?
C8A C5 C6 C7 179.9(8) . . . . ?
C8A C5 C8 C9 95(8) . . . . ?
C8A C5 C8 C10 -42(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
