# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_f1_a
_database_code_depnum_ccdc_archive 'CCDC 2143830'
loop_
_audit_author_name
_audit_author_address
'Babulal Maji'
;Indian Institute of Science Education and Research Bhopal
India
;
_audit_update_record             
;
2022-01-22 deposited with the CCDC.	2022-04-26 downloaded from the CCDC.
;
_audit_creation_date             2021-08-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_formula_moiety         'C20 H25 Cl N4 O2 Ru, H2 O'
_chemical_formula_sum            'C20 H27 Cl N4 O3 Ru'
_chemical_formula_weight         507.98
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Ru -1.23940 0.83517 19.26740 12.91820 4.86337 1.56756 0.80852 8.43467 24.79970
94.29280 5.37873983383
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_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

_symmetry_Int_Tables_number      14
_cell_length_a                   15.3310(12)
_cell_length_b                   11.0698(9)
_cell_length_c                   13.6313(10)
_cell_angle_alpha                90
_cell_angle_beta                 115.519(3)
_cell_angle_gamma                90
_cell_volume                     2087.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7372
_cell_measurement_temperature    140.0
_cell_measurement_theta_max      26.77
_cell_measurement_theta_min      2.36
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6847
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0766 before and 0.0669 after correction.
The Ratio of minimum to maximum transmission is 0.9183.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.6161
_exptl_crystal_description       block
_exptl_crystal_F_000             1035.9872
_exptl_crystal_size_max          0.165
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_av_unetI/netI     0.0944
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27219
_diffrn_reflns_theta_full        27.9328
_diffrn_reflns_theta_max         27.93
_diffrn_reflns_theta_min         2.36
_diffrn_ambient_temperature      140.0
_diffrn_measured_fraction_theta_full 0.9942
_diffrn_measured_fraction_theta_max 0.9942
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              18
_reflns_limit_h_min              -20
_reflns_limit_k_max              14
_reflns_limit_k_min              0
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                3324
_reflns_number_total             4979
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_refine_diff_density_max         3.1750
_refine_diff_density_min         -2.7734
_refine_diff_density_rms         0.3650
_refine_ls_d_res_high            0.7586
_refine_ls_d_res_low             8.6436
_refine_ls_goodness_of_fit_ref   1.0807
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    41
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4979
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1275
_refine_ls_R_factor_gt           0.0719
_refine_ls_restrained_S_all      1.0807
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0216P)²+17.7030P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1413
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Free rotating group:
 O3(H3a,H3b)
2.b Ternary CH refined with riding coordinates:
 C18(H18)
2.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C2(H2), C15(H15), C5(H5), C13(H13), C12(H12)
2.d Idealised Me refined as rotating group:
 C9(H9a,H9b,H9c), C10(H10a,H10b,H10c), C8(H8a,H8b,H8c), C19(H19a,H19b,H19c),
 C17(H17a,H17b,H17c), C20(H20a,H20b,H20c)
;
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_refinement_flags_posn
Ru1 Ru 0.24616(4) 0.87414(4) 0.65189(4) 0.02137(15) Uani 1.000000 .
Cl1 Cl 0.33842(12) 0.82229(16) 0.84164(13) 0.0318(4) Uani 1.000000 .
O1 O 0.1067(3) 0.6375(4) 0.6158(4) 0.0297(10) Uani 1.000000 .
O3 O 0.4583(3) 0.2098(4) 0.6252(4) 0.0325(11) Uani 1.000000 .
H3a H 0.510(3) 0.251(4) 0.634(6) 0.0487(17) Uiso 1.000000 G
H3b H 0.413(3) 0.259(4) 0.621(6) 0.0487(17) Uiso 1.000000 G
N3 N 0.3976(3) 0.7398(4) 0.6241(4) 0.0165(10) Uani 1.000000 .
N1 N 0.2535(3) 0.6873(4) 0.6228(4) 0.0168(11) Uani 1.000000 .
N4 N 0.5116(4) 0.8542(4) 0.6275(4) 0.0207(11) Uani 1.000000 .
N2 N 0.2012(4) 0.4841(4) 0.6078(4) 0.0228(12) Uani 1.000000 .
O2 O 0.2960(4) 0.3281(4) 0.6030(5) 0.0461(15) Uani 1.000000 .
C1 C 0.3710(4) 0.8574(5) 0.6390(5) 0.0207(13) Uani 1.000000 .
C7 C 0.1830(4) 0.6064(5) 0.6158(5) 0.0194(13) Uani 1.000000 .
C4 C 0.3350(4) 0.6448(5) 0.6192(5) 0.0170(12) Uani 1.000000 .
C3 C 0.4836(4) 0.7395(5) 0.6172(5) 0.0184(13) Uani 1.000000 .
C16 C 0.1063(4) 0.8957(6) 0.5184(5) 0.0255(15) Uani 1.000000 .
H16 H 0.0726(4) 0.8346(6) 0.4670(5) 0.0305(18) Uiso 1.000000 R
C2 C 0.4442(4) 0.9272(5) 0.6406(5) 0.0228(14) Uani 1.000000 .
H2 H 0.4486(4) 1.0125(5) 0.6492(5) 0.0274(16) Uiso 1.000000 R
C15 C 0.0882(4) 0.9044(6) 0.6109(5) 0.0259(15) Uani 1.000000 .
H15 H 0.0404(4) 0.8560(6) 0.6187(5) 0.0310(18) Uiso 1.000000 R
C5 C 0.3536(4) 0.5266(5) 0.6121(5) 0.0240(14) Uani 1.000000 .
H5 H 0.4125(4) 0.5028(5) 0.6104(5) 0.0288(17) Uiso 1.000000 R
C9 C 0.5367(4) 0.6382(5) 0.6008(5) 0.0242(14) Uani 1.000000 .
H9a H 0.558(2) 0.5843(19) 0.6640(15) 0.036(2) Uiso 1.000000 GR
H9b H 0.4945(10) 0.594(2) 0.5354(19) 0.036(2) Uiso 1.000000 GR
H9c H 0.5930(17) 0.6685(6) 0.592(3) 0.036(2) Uiso 1.000000 GR
C10 C 0.1246(5) 0.3989(5) 0.5999(6) 0.0301(16) Uani 1.000000 .
H10a H 0.108(2) 0.411(3) 0.661(2) 0.045(2) Uiso 1.000000 GR
H10b H 0.0671(11) 0.413(3) 0.5316(17) 0.045(2) Uiso 1.000000 GR
H10c H 0.1475(12) 0.3159(5) 0.602(4) 0.045(2) Uiso 1.000000 GR
C8 C 0.5995(5) 0.8998(6) 0.6226(5) 0.0268(15) Uani 1.000000 .
H8a H 0.6562(5) 0.860(3) 0.678(2) 0.040(2) Uiso 1.000000 GR
H8b H 0.5966(14) 0.883(3) 0.5507(13) 0.040(2) Uiso 1.000000 GR
H8c H 0.6044(16) 0.9872(8) 0.635(3) 0.040(2) Uiso 1.000000 GR
C13 C 0.2154(5) 1.0608(6) 0.6704(6) 0.0351(18) Uani 1.000000 .
H13 H 0.2569(5) 1.1152(6) 0.7241(6) 0.042(2) Uiso 1.000000 R
C6 C 0.2850(5) 0.4387(6) 0.6072(6) 0.0279(15) Uani 1.000000 .
C12 C 0.2222(6) 1.0502(7) 0.5737(6) 0.0400(19) Uani 1.000000 .
H12 H 0.2656(6) 1.1020(7) 0.5609(6) 0.048(2) Uiso 1.000000 R
C14 C 0.1445(5) 0.9892(7) 0.6925(6) 0.0386(18) Uani 1.000000 .
C11 C 0.1700(5) 0.9693(6) 0.4952(6) 0.0374(18) Uani 1.000000 .
C18 C 0.1384(6) 1.0036(8) 0.7974(7) 0.047(2) Uani 1.000000 .
H18 H 0.2061(6) 1.0063(8) 0.8558(7) 0.057(3) Uiso 1.000000 R
C19 C 0.0901(7) 0.9022(8) 0.8223(7) 0.052(2) Uani 1.000000 .
H19a H 0.0228(13) 0.898(3) 0.768(3) 0.078(3) Uiso 1.000000 GR
H19b H 0.123(3) 0.8269(10) 0.821(5) 0.078(3) Uiso 1.000000 GR
H19c H 0.092(4) 0.914(3) 0.894(2) 0.078(3) Uiso 1.000000 GR
C17 C 0.1881(6) 0.9519(8) 0.3921(6) 0.047(2) Uani 1.000000 .
H17a H 0.2577(6) 0.945(5) 0.4136(7) 0.070(3) Uiso 1.000000 GR
H17b H 0.156(3) 0.878(3) 0.354(2) 0.070(3) Uiso 1.000000 GR
H17c H 0.162(4) 1.021(2) 0.344(2) 0.070(3) Uiso 1.000000 GR
C20 C 0.0907(8) 1.1274(9) 0.7992(8) 0.077(3) Uani 1.000000 .
H20a H 0.124(3) 1.1919(12) 0.779(6) 0.116(5) Uiso 1.000000 GR
H20b H 0.0224(14) 1.126(2) 0.747(4) 0.116(5) Uiso 1.000000 GR
H20c H 0.096(5) 1.143(3) 0.8724(17) 0.116(5) Uiso 1.000000 GR


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 2.4224(18) . ?
Ru1 N1 2.118(5) . ?
Ru1 C1 2.004(6) . ?
Ru1 C16 2.146(6) . ?
Ru1 C15 2.264(6) . ?
Ru1 C13 2.159(6) . ?
Ru1 C12 2.175(7) . ?
Ru1 C14 2.258(6) . ?
Ru1 C11 2.211(7) . ?
O1 C7 1.219(7) . ?
O3 H3a 0.8700 . ?
O3 H3b 0.8701 . ?
N3 C1 1.405(7) . ?
N3 C4 1.406(7) . ?
N3 C3 1.363(7) . ?
N1 C7 1.375(7) . ?
N1 C4 1.355(7) . ?
N4 C3 1.328(7) . ?
N4 C2 1.382(8) . ?
N4 C8 1.467(7) . ?
N2 C7 1.396(8) . ?
N2 C10 1.473(7) . ?
N2 C6 1.383(8) . ?
O2 C6 1.240(7) . ?
C1 C2 1.356(8) . ?
C4 C5 1.351(8) . ?
C3 C9 1.457(8) . ?
C16 H16 0.9500 . ?
C16 C15 1.407(9) . ?
C16 C11 1.409(9) . ?
C2 H2 0.9500 . ?
C15 H15 0.9500 . ?
C15 C14 1.427(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.414(9) . ?
C9 H9a 0.9800 . ?
C9 H9b 0.9800 . ?
C9 H9c 0.9800 . ?
C10 H10a 0.9800 . ?
C10 H10b 0.9800 . ?
C10 H10c 0.9800 . ?
C8 H8a 0.9800 . ?
C8 H8b 0.9800 . ?
C8 H8c 0.9800 . ?
C13 H13 0.9500 . ?
C13 C12 1.373(10) . ?
C13 C14 1.476(10) . ?
C12 H12 0.9500 . ?
C12 C11 1.360(11) . ?
C14 C18 1.482(10) . ?
C11 C17 1.556(10) . ?
C18 H18 1.0000 . ?
C18 C19 1.462(11) . ?
C18 C20 1.559(11) . ?
C19 H19a 0.9800 . ?
C19 H19b 0.9800 . ?
C19 H19c 0.9800 . ?
C17 H17a 0.9800 . ?
C17 H17b 0.9800 . ?
C17 H17c 0.9800 . ?
C20 H20a 0.9800 . ?
C20 H20b 0.9800 . ?
C20 H20c 0.9800 . ?

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 85.10(14) . . ?
C1 Ru1 Cl1 86.05(18) . . ?
C1 Ru1 N1 76.3(2) . . ?
C16 Ru1 Cl1 147.41(17) . . ?
C16 Ru1 N1 93.7(2) . . ?
C16 Ru1 C1 125.4(2) . . ?
C15 Ru1 Cl1 111.67(17) . . ?
C15 Ru1 N1 103.6(2) . . ?
C15 Ru1 C1 162.3(2) . . ?
C15 Ru1 C16 37.1(2) . . ?
C13 Ru1 Cl1 99.1(2) . . ?
C13 Ru1 N1 171.4(2) . . ?
C13 Ru1 C1 111.3(3) . . ?
C13 Ru1 C16 78.7(3) . . ?
C13 Ru1 C15 67.8(2) . . ?
C12 Ru1 Cl1 129.3(2) . . ?
C12 Ru1 N1 142.6(3) . . ?
C12 Ru1 C1 90.3(3) . . ?
C12 Ru1 C16 65.7(3) . . ?
C12 Ru1 C15 79.0(3) . . ?
C12 Ru1 C13 36.9(3) . . ?
C14 Ru1 Cl1 91.09(19) . . ?
C14 Ru1 N1 134.0(2) . . ?
C14 Ru1 C1 149.2(3) . . ?
C14 Ru1 C16 66.6(3) . . ?
C14 Ru1 C15 36.8(2) . . ?
C14 Ru1 C13 39.0(3) . . ?
C14 Ru1 C12 68.1(3) . . ?
C11 Ru1 Cl1 165.3(2) . . ?
C11 Ru1 N1 109.4(2) . . ?
C11 Ru1 C1 94.9(3) . . ?
C11 Ru1 C16 37.7(2) . . ?
C11 Ru1 C15 68.1(2) . . ?
C11 Ru1 C13 66.8(3) . . ?
C11 Ru1 C12 36.1(3) . . ?
C11 Ru1 C14 80.5(3) . . ?
H3b O3 H3a 109.4 . . ?
C4 N3 C1 117.7(5) . . ?
C3 N3 C1 111.3(5) . . ?
C3 N3 C4 131.0(5) . . ?
C7 N1 Ru1 123.0(4) . . ?
C4 N1 Ru1 118.0(4) . . ?
C4 N1 C7 118.8(5) . . ?
C2 N4 C3 110.3(5) . . ?
C8 N4 C3 125.8(5) . . ?
C8 N4 C2 123.9(5) . . ?
C10 N2 C7 116.6(5) . . ?
C6 N2 C7 124.8(5) . . ?
C6 N2 C10 118.6(5) . . ?
N3 C1 Ru1 116.5(4) . . ?
C2 C1 Ru1 139.7(5) . . ?
C2 C1 N3 103.9(5) . . ?
N1 C7 O1 122.8(5) . . ?
N2 C7 O1 119.9(5) . . ?
N2 C7 N1 117.3(5) . . ?
N1 C4 N3 111.1(5) . . ?
C5 C4 N3 124.5(5) . . ?
C5 C4 N1 124.4(5) . . ?
N4 C3 N3 105.6(5) . . ?
C9 C3 N3 129.3(5) . . ?
C9 C3 N4 125.1(5) . . ?
H16 C16 Ru1 125.01(17) . . ?
C15 C16 Ru1 76.0(4) . . ?
C15 C16 H16 117.1(4) . . ?
C11 C16 Ru1 73.7(4) . . ?
C11 C16 H16 117.1(4) . . ?
C11 C16 C15 125.8(7) . . ?
C1 C2 N4 109.0(5) . . ?
H2 C2 N4 125.5(3) . . ?
H2 C2 C1 125.5(4) . . ?
C16 C15 Ru1 66.9(3) . . ?
H15 C15 Ru1 133.10(16) . . ?
H15 C15 C16 121.4(4) . . ?
C14 C15 Ru1 71.4(4) . . ?
C14 C15 C16 117.2(6) . . ?
C14 C15 H15 121.4(4) . . ?
H5 C5 C4 120.2(4) . . ?
C6 C5 C4 119.6(6) . . ?
C6 C5 H5 120.2(4) . . ?
H9a C9 C3 109.5 . . ?
H9b C9 C3 109.5 . . ?
H9b C9 H9a 109.5 . . ?
H9c C9 C3 109.5 . . ?
H9c C9 H9a 109.5 . . ?
H9c C9 H9b 109.5 . . ?
H10a C10 N2 109.5 . . ?
H10b C10 N2 109.5 . . ?
H10b C10 H10a 109.5 . . ?
H10c C10 N2 109.5 . . ?
H10c C10 H10a 109.5 . . ?
H10c C10 H10b 109.5 . . ?
H8a C8 N4 109.5 . . ?
H8b C8 N4 109.5 . . ?
H8b C8 H8a 109.5 . . ?
H8c C8 N4 109.5 . . ?
H8c C8 H8a 109.5 . . ?
H8c C8 H8b 109.5 . . ?
H13 C13 Ru1 126.09(18) . . ?
C12 C13 Ru1 72.2(4) . . ?
C12 C13 H13 119.4(5) . . ?
C14 C13 Ru1 74.2(4) . . ?
C14 C13 H13 119.4(4) . . ?
C14 C13 C12 121.1(7) . . ?
O2 C6 N2 120.3(6) . . ?
C5 C6 N2 115.1(5) . . ?
C5 C6 O2 124.7(6) . . ?
C13 C12 Ru1 70.9(4) . . ?
H12 C12 Ru1 130.3(2) . . ?
H12 C12 C13 118.3(5) . . ?
C11 C12 Ru1 73.4(4) . . ?
C11 C12 C13 123.4(7) . . ?
C11 C12 H12 118.3(5) . . ?
C15 C14 Ru1 71.8(4) . . ?
C13 C14 Ru1 66.9(4) . . ?
C13 C14 C15 116.5(6) . . ?
C18 C14 Ru1 129.4(5) . . ?
C18 C14 C15 123.6(7) . . ?
C18 C14 C13 119.8(7) . . ?
C16 C11 Ru1 68.6(4) . . ?
C12 C11 Ru1 70.5(4) . . ?
C12 C11 C16 115.7(7) . . ?
C17 C11 Ru1 126.0(5) . . ?
C17 C11 C16 122.8(7) . . ?
C17 C11 C12 121.3(7) . . ?
H18 C18 C14 107.1(4) . . ?
C19 C18 C14 113.0(7) . . ?
C19 C18 H18 107.1(5) . . ?
C20 C18 C14 109.6(7) . . ?
C20 C18 H18 107.1(5) . . ?
C20 C18 C19 112.6(7) . . ?
H19a C19 C18 109.5 . . ?
H19b C19 C18 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 C18 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
H17a C17 C11 109.5 . . ?
H17b C17 C11 109.5 . . ?
H17b C17 H17a 109.5 . . ?
H17c C17 C11 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 109.5 . . ?
H20a C20 C18 109.5 . . ?
H20b C20 C18 109.5 . . ?
H20b C20 H20a 109.5 . . ?
H20c C20 C18 109.5 . . ?
H20c C20 H20a 109.5 . . ?
H20c C20 H20b 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_f1_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2143831'
loop_
_audit_author_name
_audit_author_address
'Babulal Maji'
;Indian Institute of Science Education and Research Bhopal
India
;
_audit_update_record             
;
2022-01-22 deposited with the CCDC.	2022-04-26 downloaded from the CCDC.
;
_audit_creation_date             2021-02-10
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H23 Cl N4 O2 Ru'
_chemical_formula_sum            'C19 H23 Cl N4 O2 Ru'
_chemical_formula_weight         475.93
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   14.6419(12)
_cell_length_b                   13.5577(9)
_cell_length_c                   19.6678(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3904.3(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9820
_cell_measurement_temperature    140.0
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6965
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0881 before and 0.0560 after correction.
The Ratio of minimum to maximum transmission is 0.9343.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.145
_exptl_crystal_size_min          0.077
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            86372
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.136
_diffrn_reflns_theta_min         2.047
_diffrn_ambient_temperature      140.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.941
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                8165
_reflns_number_total             8602
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.29(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         8602
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0219
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0256P)²+1.7023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0523
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.71(3)
 0.29(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C16(H16), C35(H35)
3.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C22(H22), C5(H5), C33(H33), C34(H34), C12(H12), C31(H31), C15(H15),
 C14(H14), C21(H21), C30(H30), C24(H24), C2(H2), C3(H3)
3.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C38(H38A,H38B,H38C), C17(H17A,H17B,H17C), C36(H36A,H36B,
 H36C), C9(H9A,H9B,H9C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C8(H8A,H8B,
 H8C), C37(H37A,H37B,H37C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru2 Ru 0.58755(2) 0.92959(2) 0.44492(2) 0.01844(7) Uani 1 1 d . . . . .
Ru1 Ru 0.55009(2) 0.42722(2) 0.56044(2) 0.01876(7) Uani 1 1 d . . . . .
Cl Cl 0.62051(6) 0.33535(7) 0.46897(5) 0.02581(19) Uani 1 1 d . . . . .
Cl2 Cl 0.51833(6) 0.83870(6) 0.53713(5) 0.02516(19) Uani 1 1 d . . . . .
N7 N 0.4069(2) 0.9129(2) 0.38608(18) 0.0214(7) Uani 1 1 d . . . . .
O1 O 0.74376(19) 0.0923(2) 0.71737(15) 0.0308(6) Uani 1 1 d . . . . .
O3 O 0.66129(18) 0.71948(19) 0.37997(15) 0.0264(6) Uani 1 1 d . . . . .
O2 O 0.47789(17) 0.21750(19) 0.63399(15) 0.0275(6) Uani 1 1 d . . . . .
N5 N 0.5339(2) 0.8160(2) 0.38337(17) 0.0206(6) Uani 1 1 d . . . . .
O4 O 0.3984(2) 0.5841(2) 0.29866(16) 0.0315(7) Uani 1 1 d . . . . .
N2 N 0.6112(2) 0.1561(2) 0.67434(16) 0.0226(6) Uani 1 1 d . . . . .
N1 N 0.6050(2) 0.3146(2) 0.62373(16) 0.0207(6) Uani 1 1 d . . . . .
N3 N 0.7310(2) 0.4117(2) 0.61809(17) 0.0223(7) Uani 1 1 d . . . . .
C11 C 0.4279(3) 0.4378(3) 0.6213(2) 0.0217(8) Uani 1 1 d . . . . .
H11 H 0.418752 0.403613 0.662955 0.026 Uiso 1 1 calc R . . . .
N8 N 0.4037(2) 1.0497(2) 0.4395(2) 0.0241(6) Uani 1 1 d . . . . .
C6 C 0.7046(2) 0.1619(3) 0.68951(19) 0.0221(7) Uani 1 1 d . . . . .
N4 N 0.7336(2) 0.5497(2) 0.56521(18) 0.0245(6) Uani 1 1 d . . . . .
N6 N 0.5291(2) 0.6524(2) 0.34207(16) 0.0213(6) Uani 1 1 d . . . . .
C7 C 0.5601(3) 0.2305(3) 0.6431(2) 0.0215(8) Uani 1 1 d . . . . .
C20 C 0.4591(2) 0.9743(2) 0.42480(19) 0.0209(7) Uani 1 1 d . . . . .
C27 C 0.5791(3) 0.5600(3) 0.3320(2) 0.0269(9) Uani 1 1 d . . . . .
H27A H 0.621616 0.567370 0.293885 0.040 Uiso 1 1 calc GR . . . .
H27B H 0.535765 0.506781 0.322020 0.040 Uiso 1 1 calc GR . . . .
H27C H 0.613255 0.543895 0.373385 0.040 Uiso 1 1 calc GR . . . .
C1 C 0.6780(3) 0.4740(3) 0.58072(18) 0.0218(7) Uani 1 1 d . . . . .
C23 C 0.4441(3) 0.8209(3) 0.36711(19) 0.0212(7) Uani 1 1 d . . . . .
C29 C 0.6672(3) 1.0244(3) 0.3768(2) 0.0235(8) Uani 1 1 d . . . . .
C16 C 0.4899(3) 0.5818(3) 0.6898(2) 0.0270(8) Uani 1 1 d . . . . .
H16 H 0.509950 0.529925 0.722714 0.032 Uiso 1 1 calc R . . . .
C10 C 0.4702(3) 0.5317(3) 0.6229(2) 0.0236(8) Uani 1 1 d . . . . .
C22 C 0.3200(3) 0.9508(3) 0.3760(2) 0.0280(8) Uani 1 1 d . . . . .
H22 H 0.271454 0.921884 0.350838 0.034 Uiso 1 1 calc R . . . .
C5 C 0.7466(2) 0.2523(3) 0.6707(2) 0.0240(8) Uani 1 1 d . . . . .
H5 H 0.809396 0.264004 0.679921 0.029 Uiso 1 1 calc R . . . .
C32 C 0.7145(3) 0.9513(3) 0.5093(2) 0.0264(9) Uani 1 1 d . . . . .
C38 C 0.7341(3) 0.9113(3) 0.5791(2) 0.0353(10) Uani 1 1 d . . . . .
H38A H 0.678521 0.881440 0.597828 0.053 Uiso 1 1 calc GR . . . .
H38B H 0.754133 0.965161 0.608850 0.053 Uiso 1 1 calc GR . . . .
H38C H 0.782256 0.861355 0.576261 0.053 Uiso 1 1 calc GR . . . .
C26 C 0.5796(3) 0.7305(3) 0.36932(19) 0.0202(7) Uani 1 1 d . . . . .
C33 C 0.6659(3) 1.0412(3) 0.5019(2) 0.0286(9) Uani 1 1 d . . . . .
H33 H 0.648190 1.077268 0.541195 0.034 Uiso 1 1 calc R . . . .
C34 C 0.6438(3) 1.0774(3) 0.4371(2) 0.0268(8) Uani 1 1 d . . . . .
H34 H 0.612557 1.138546 0.433200 0.032 Uiso 1 1 calc R . . . .
C12 C 0.3986(2) 0.3926(3) 0.5598(2) 0.0247(7) Uani 1 1 d . . . . .
H12 H 0.365607 0.332348 0.561181 0.030 Uiso 1 1 calc R . . . .
C31 C 0.7386(2) 0.8986(3) 0.4510(2) 0.0247(8) Uani 1 1 d . . . . .
H31 H 0.772183 0.839028 0.455137 0.030 Uiso 1 1 calc R . . . .
C4 C 0.6950(2) 0.3214(3) 0.63940(19) 0.0212(7) Uani 1 1 d . . . . .
C15 C 0.4900(2) 0.5749(2) 0.5585(2) 0.0241(7) Uani 1 1 d . . . . .
H15 H 0.519451 0.637284 0.556948 0.029 Uiso 1 1 calc R . . . .
C14 C 0.4672(3) 0.5282(3) 0.4975(2) 0.0248(8) Uani 1 1 d . . . . .
H14 H 0.484422 0.557515 0.455588 0.030 Uiso 1 1 calc R . . . .
C17 C 0.4013(3) 0.6272(3) 0.7171(2) 0.0331(9) Uani 1 1 d . . . . .
H17A H 0.383608 0.683132 0.688402 0.050 Uiso 1 1 calc GR . . . .
H17B H 0.410919 0.649969 0.763800 0.050 Uiso 1 1 calc GR . . . .
H17C H 0.352732 0.577446 0.716417 0.050 Uiso 1 1 calc GR . . . .
C21 C 0.3191(3) 1.0372(3) 0.4094(2) 0.0295(9) Uani 1 1 d . . . . .
H21 H 0.269230 1.081792 0.411941 0.035 Uiso 1 1 calc R . . . .
C30 C 0.7133(3) 0.9332(3) 0.3855(2) 0.0240(8) Uani 1 1 d . . . . .
H30 H 0.727639 0.894498 0.346702 0.029 Uiso 1 1 calc R . . . .
C24 C 0.3938(3) 0.7493(3) 0.33794(19) 0.0230(7) Uani 1 1 d . . . . .
H24 H 0.331389 0.760068 0.327154 0.028 Uiso 1 1 calc R . . . .
C36 C 0.5587(3) 1.1202(4) 0.2997(3) 0.0417(11) Uani 1 1 d . . . . .
H36A H 0.507061 1.079180 0.313981 0.063 Uiso 1 1 calc GR . . . .
H36B H 0.549946 1.140727 0.252325 0.063 Uiso 1 1 calc GR . . . .
H36C H 0.562386 1.178680 0.328814 0.063 Uiso 1 1 calc GR . . . .
C9 C 0.5608(3) 0.0682(3) 0.6958(3) 0.0332(10) Uani 1 1 d . . . . .
H9A H 0.601922 0.023891 0.720549 0.050 Uiso 1 1 calc GR . . . .
H9B H 0.536587 0.034227 0.655708 0.050 Uiso 1 1 calc GR . . . .
H9C H 0.510234 0.087734 0.725533 0.050 Uiso 1 1 calc GR . . . .
C13 C 0.4182(3) 0.4368(3) 0.4973(2) 0.0260(8) Uani 1 1 d . . . . .
C19 C 0.3950(3) 0.3897(3) 0.4307(2) 0.0312(9) Uani 1 1 d . . . . .
H19A H 0.450055 0.360527 0.410891 0.047 Uiso 1 1 calc GR . . . .
H19B H 0.370412 0.439732 0.399739 0.047 Uiso 1 1 calc GR . . . .
H19C H 0.349112 0.338134 0.438007 0.047 Uiso 1 1 calc GR . . . .
C35 C 0.6466(3) 1.0614(3) 0.3056(2) 0.0318(9) Uani 1 1 d . . . . .
H35 H 0.640311 1.002218 0.275585 0.038 Uiso 1 1 calc R . . . .
C18 C 0.5645(3) 0.6604(3) 0.6868(2) 0.0351(9) Uani 1 1 d . . . . .
H18A H 0.621123 0.630838 0.669666 0.053 Uiso 1 1 calc GR . . . .
H18B H 0.575030 0.686926 0.732502 0.053 Uiso 1 1 calc GR . . . .
H18C H 0.545382 0.713733 0.656396 0.053 Uiso 1 1 calc GR . . . .
C2 C 0.8203(3) 0.5351(3) 0.5925(2) 0.0297(9) Uani 1 1 d . . . . .
H2 H 0.870768 0.578740 0.588608 0.036 Uiso 1 1 calc R . . . .
C8 C 0.7092(3) 0.6348(3) 0.5232(2) 0.0316(9) Uani 1 1 d . . . . .
H8A H 0.664720 0.614599 0.488674 0.047 Uiso 1 1 calc GR . . . .
H8B H 0.764089 0.660463 0.500868 0.047 Uiso 1 1 calc GR . . . .
H8C H 0.682449 0.686285 0.551956 0.047 Uiso 1 1 calc GR . . . .
C37 C 0.7284(4) 1.1201(4) 0.2803(3) 0.0541(14) Uani 1 1 d . . . . .
H37A H 0.738829 1.176450 0.310515 0.081 Uiso 1 1 calc GR . . . .
H37B H 0.716345 1.143795 0.234135 0.081 Uiso 1 1 calc GR . . . .
H37C H 0.782607 1.077708 0.280092 0.081 Uiso 1 1 calc GR . . . .
C28 C 0.4274(3) 1.1342(3) 0.4824(2) 0.0337(9) Uani 1 1 d . . . . .
H28A H 0.467618 1.112363 0.519304 0.051 Uiso 1 1 calc GR . . . .
H28B H 0.371638 1.162692 0.501652 0.051 Uiso 1 1 calc GR . . . .
H28C H 0.458937 1.183968 0.454940 0.051 Uiso 1 1 calc GR . . . .
C25 C 0.4363(3) 0.6569(3) 0.32358(19) 0.0240(8) Uani 1 1 d . . . . .
C3 C 0.8197(3) 0.4481(3) 0.6253(2) 0.0290(8) Uani 1 1 d . . . . .
H3 H 0.869217 0.417802 0.648489 0.035 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
Ru2 Cl2 2.4156(9) . ?
Ru2 N5 2.111(3) . ?
Ru2 C20 2.015(4) . ?
Ru2 C29 2.193(4) . ?
Ru2 C32 2.268(4) . ?
Ru2 C33 2.206(4) . ?
Ru2 C34 2.172(3) . ?
Ru2 C31 2.254(3) . ?
Ru2 C30 2.182(4) . ?
Ru1 Cl 2.4189(10) . ?
Ru1 N1 2.128(3) . ?
Ru1 C11 2.158(4) . ?
Ru1 C1 2.018(4) . ?
Ru1 C10 2.210(4) . ?
Ru1 C12 2.267(3) . ?
Ru1 C15 2.188(3) . ?
Ru1 C14 2.209(4) . ?
Ru1 C13 2.299(4) . ?
N7 C20 1.363(5) . ?
N7 C23 1.411(5) . ?
N7 C22 1.387(5) . ?
O1 C6 1.233(4) . ?
O3 C26 1.224(5) . ?
O2 C7 1.229(5) . ?
N5 C23 1.354(5) . ?
N5 C26 1.366(5) . ?
O4 C25 1.233(5) . ?
N2 C6 1.402(5) . ?
N2 C7 1.398(5) . ?
N2 C9 1.463(5) . ?
N1 C7 1.370(5) . ?
N1 C4 1.357(5) . ?
N3 C1 1.362(5) . ?
N3 C4 1.398(5) . ?
N3 C3 1.397(5) . ?
C11 H11 0.9500 . ?
C11 C10 1.417(5) . ?
C11 C12 1.423(6) . ?
N8 C20 1.337(4) . ?
N8 C21 1.383(5) . ?
N8 C28 1.464(5) . ?
C6 C5 1.421(5) . ?
N4 C1 1.344(4) . ?
N4 C2 1.393(5) . ?
N4 C8 1.463(5) . ?
N6 C27 1.465(5) . ?
N6 C26 1.398(5) . ?
N6 C25 1.407(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C23 C24 1.347(5) . ?
C29 C34 1.428(6) . ?
C29 C30 1.419(5) . ?
C29 C35 1.517(6) . ?
C16 H16 1.0000 . ?
C16 C10 1.508(6) . ?
C16 C17 1.532(6) . ?
C16 C18 1.528(6) . ?
C10 C15 1.425(6) . ?
C22 H22 0.9500 . ?
C22 C21 1.343(6) . ?
C5 H5 0.9500 . ?
C5 C4 1.352(5) . ?
C32 C38 1.504(6) . ?
C32 C33 1.419(6) . ?
C32 C31 1.396(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C33 H33 0.9500 . ?
C33 C34 1.405(6) . ?
C34 H34 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.397(6) . ?
C31 H31 0.9500 . ?
C31 C30 1.419(6) . ?
C15 H15 0.9500 . ?
C15 C14 1.396(6) . ?
C14 H14 0.9500 . ?
C14 C13 1.432(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C21 H21 0.9500 . ?
C30 H30 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.427(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 C35 1.518(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C13 C19 1.495(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C35 H35 1.0000 . ?
C35 C37 1.522(6) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C2 H2 0.9500 . ?
C2 C3 1.344(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C3 H3 0.9500 . ?

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
N5 Ru2 Cl2 84.38(9) . . ?
N5 Ru2 C29 105.99(14) . . ?
N5 Ru2 C32 136.04(14) . . ?
N5 Ru2 C33 170.39(14) . . ?
N5 Ru2 C34 140.68(15) . . ?
N5 Ru2 C31 105.04(13) . . ?
N5 Ru2 C30 91.35(14) . . ?
C20 Ru2 Cl2 84.80(10) . . ?
C20 Ru2 N5 76.08(13) . . ?
C20 Ru2 C29 101.55(14) . . ?
C20 Ru2 C32 146.66(15) . . ?
C20 Ru2 C33 112.27(15) . . ?
C20 Ru2 C34 93.59(14) . . ?
C20 Ru2 C31 169.10(14) . . ?
C20 Ru2 C30 132.53(15) . . ?
C29 Ru2 Cl2 168.82(11) . . ?
C29 Ru2 C32 80.16(15) . . ?
C29 Ru2 C33 68.38(15) . . ?
C29 Ru2 C31 67.63(14) . . ?
C32 Ru2 Cl2 89.48(11) . . ?
C33 Ru2 Cl2 100.76(12) . . ?
C33 Ru2 C32 36.95(15) . . ?
C33 Ru2 C31 65.83(15) . . ?
C34 Ru2 Cl2 133.09(13) . . ?
C34 Ru2 C29 38.18(16) . . ?
C34 Ru2 C32 67.00(15) . . ?
C34 Ru2 C33 37.42(17) . . ?
C34 Ru2 C31 78.66(14) . . ?
C34 Ru2 C30 67.72(15) . . ?
C31 Ru2 Cl2 106.09(10) . . ?
C31 Ru2 C32 35.98(16) . . ?
C30 Ru2 Cl2 140.15(11) . . ?
C30 Ru2 C29 37.85(14) . . ?
C30 Ru2 C32 66.68(14) . . ?
C30 Ru2 C33 79.49(15) . . ?
C30 Ru2 C31 37.26(16) . . ?
N1 Ru1 Cl 84.52(9) . . ?
N1 Ru1 C11 92.06(14) . . ?
N1 Ru1 C10 109.57(13) . . ?
N1 Ru1 C12 102.97(13) . . ?
N1 Ru1 C15 145.02(16) . . ?
N1 Ru1 C14 168.55(14) . . ?
N1 Ru1 C13 132.34(13) . . ?
C11 Ru1 Cl 143.17(11) . . ?
C11 Ru1 C10 37.84(15) . . ?
C11 Ru1 C12 37.41(16) . . ?
C11 Ru1 C15 67.39(14) . . ?
C11 Ru1 C14 79.29(15) . . ?
C11 Ru1 C13 66.43(14) . . ?
C1 Ru1 Cl 85.03(10) . . ?
C1 Ru1 N1 76.09(13) . . ?
C1 Ru1 C11 129.73(15) . . ?
C1 Ru1 C10 100.35(14) . . ?
C1 Ru1 C12 167.03(15) . . ?
C1 Ru1 C15 95.12(14) . . ?
C1 Ru1 C14 115.21(15) . . ?
C1 Ru1 C13 150.29(15) . . ?
C10 Ru1 Cl 165.71(10) . . ?
C10 Ru1 C12 67.55(14) . . ?
C10 Ru1 C13 79.63(14) . . ?
C12 Ru1 Cl 107.84(11) . . ?
C12 Ru1 C13 35.63(15) . . ?
C15 Ru1 Cl 129.02(13) . . ?
C15 Ru1 C10 37.82(15) . . ?
C15 Ru1 C12 78.19(13) . . ?
C15 Ru1 C14 37.02(16) . . ?
C15 Ru1 C13 66.48(15) . . ?
C14 Ru1 Cl 97.86(10) . . ?
C14 Ru1 C10 67.86(12) . . ?
C14 Ru1 C12 65.62(14) . . ?
C14 Ru1 C13 36.96(15) . . ?
C13 Ru1 Cl 89.14(11) . . ?
C20 N7 C23 118.0(3) . . ?
C20 N7 C22 111.6(3) . . ?
C22 N7 C23 130.1(3) . . ?
C23 N5 Ru2 117.4(2) . . ?
C23 N5 C26 118.0(3) . . ?
C26 N5 Ru2 123.5(2) . . ?
C6 N2 C9 118.4(3) . . ?
C7 N2 C6 125.1(3) . . ?
C7 N2 C9 116.4(3) . . ?
C7 N1 Ru1 125.4(2) . . ?
C4 N1 Ru1 116.8(2) . . ?
C4 N1 C7 117.4(3) . . ?
C1 N3 C4 119.4(3) . . ?
C1 N3 C3 111.4(3) . . ?
C3 N3 C4 129.0(3) . . ?
Ru1 C11 H11 124.3 . . ?
C10 C11 Ru1 73.1(2) . . ?
C10 C11 H11 118.8 . . ?
C10 C11 C12 122.5(4) . . ?
C12 C11 Ru1 75.5(2) . . ?
C12 C11 H11 118.8 . . ?
C20 N8 C21 110.9(3) . . ?
C20 N8 C28 125.4(3) . . ?
C21 N8 C28 123.7(3) . . ?
O1 C6 N2 120.3(3) . . ?
O1 C6 C5 125.1(3) . . ?
N2 C6 C5 114.6(3) . . ?
C1 N4 C2 110.8(3) . . ?
C1 N4 C8 125.6(3) . . ?
C2 N4 C8 123.5(3) . . ?
C26 N6 C27 115.8(3) . . ?
C26 N6 C25 125.3(3) . . ?
C25 N6 C27 118.9(3) . . ?
O2 C7 N2 119.0(3) . . ?
O2 C7 N1 123.2(3) . . ?
N1 C7 N2 117.8(3) . . ?
N7 C20 Ru2 116.7(2) . . ?
N8 C20 Ru2 138.9(3) . . ?
N8 C20 N7 104.3(3) . . ?
N6 C27 H27A 109.5 . . ?
N6 C27 H27B 109.5 . . ?
N6 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C1 Ru1 116.1(3) . . ?
N4 C1 Ru1 139.2(3) . . ?
N4 C1 N3 104.6(3) . . ?
N5 C23 N7 110.9(3) . . ?
C24 C23 N7 122.6(3) . . ?
C24 C23 N5 126.5(3) . . ?
C34 C29 Ru2 70.1(2) . . ?
C34 C29 C35 123.5(3) . . ?
C30 C29 Ru2 70.6(2) . . ?
C30 C29 C34 116.9(4) . . ?
C30 C29 C35 119.6(4) . . ?
C35 C29 Ru2 130.6(3) . . ?
C10 C16 H16 107.7 . . ?
C10 C16 C17 108.9(3) . . ?
C10 C16 C18 114.6(3) . . ?
C17 C16 H16 107.7 . . ?
C18 C16 H16 107.7 . . ?
C18 C16 C17 109.8(3) . . ?
C11 C10 Ru1 69.1(2) . . ?
C11 C10 C16 120.5(4) . . ?
C11 C10 C15 116.0(4) . . ?
C16 C10 Ru1 132.3(3) . . ?
C15 C10 Ru1 70.2(2) . . ?
C15 C10 C16 123.5(3) . . ?
N7 C22 H22 127.4 . . ?
C21 C22 N7 105.1(4) . . ?
C21 C22 H22 127.4 . . ?
C6 C5 H5 120.9 . . ?
C4 C5 C6 118.3(3) . . ?
C4 C5 H5 120.9 . . ?
C38 C32 Ru2 128.3(3) . . ?
C33 C32 Ru2 69.1(2) . . ?
C33 C32 C38 119.9(4) . . ?
C31 C32 Ru2 71.5(2) . . ?
C31 C32 C38 121.2(4) . . ?
C31 C32 C33 118.8(4) . . ?
C32 C38 H38A 109.5 . . ?
C32 C38 H38B 109.5 . . ?
C32 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O3 C26 N5 123.2(3) . . ?
O3 C26 N6 119.3(3) . . ?
N5 C26 N6 117.4(3) . . ?
Ru2 C33 H33 128.6 . . ?
C32 C33 Ru2 73.9(2) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 Ru2 70.0(2) . . ?
C34 C33 C32 120.5(4) . . ?
C34 C33 H33 119.7 . . ?
Ru2 C34 H34 128.9 . . ?
C29 C34 Ru2 71.7(2) . . ?
C29 C34 H34 119.2 . . ?
C33 C34 Ru2 72.6(2) . . ?
C33 C34 C29 121.5(3) . . ?
C33 C34 H34 119.2 . . ?
Ru1 C12 H12 132.5 . . ?
C11 C12 Ru1 67.1(2) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 Ru1 73.5(2) . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
Ru2 C31 H31 132.2 . . ?
C32 C31 Ru2 72.6(2) . . ?
C32 C31 H31 119.6 . . ?
C32 C31 C30 120.7(3) . . ?
C30 C31 Ru2 68.6(2) . . ?
C30 C31 H31 119.6 . . ?
N1 C4 N3 111.0(3) . . ?
C5 C4 N1 126.9(3) . . ?
C5 C4 N3 122.2(3) . . ?
Ru1 C15 H15 129.2 . . ?
C10 C15 Ru1 71.9(2) . . ?
C10 C15 H15 119.1 . . ?
C14 C15 Ru1 72.3(2) . . ?
C14 C15 C10 121.9(3) . . ?
C14 C15 H15 119.1 . . ?
Ru1 C14 H14 126.9 . . ?
C15 C14 Ru1 70.7(2) . . ?
C15 C14 H14 119.5 . . ?
C15 C14 C13 121.0(4) . . ?
C13 C14 Ru1 75.0(2) . . ?
C13 C14 H14 119.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N8 C21 H21 126.0 . . ?
C22 C21 N8 108.0(4) . . ?
C22 C21 H21 126.0 . . ?
Ru2 C30 H30 127.1 . . ?
C29 C30 Ru2 71.5(2) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 Ru2 74.1(2) . . ?
C31 C30 C29 121.4(4) . . ?
C31 C30 H30 119.3 . . ?
C23 C24 H24 120.7 . . ?
C23 C24 C25 118.6(3) . . ?
C25 C24 H24 120.7 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 C13 Ru1 70.9(2) . . ?
C12 C13 C14 118.1(4) . . ?
C12 C13 C19 122.7(4) . . ?
C14 C13 Ru1 68.1(2) . . ?
C14 C13 C19 119.1(4) . . ?
C19 C13 Ru1 129.8(3) . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C29 C35 C36 114.4(4) . . ?
C29 C35 H35 107.4 . . ?
C29 C35 C37 108.5(4) . . ?
C36 C35 H35 107.4 . . ?
C36 C35 C37 111.5(4) . . ?
C37 C35 H35 107.4 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C2 H2 126.1 . . ?
C3 C2 N4 107.7(4) . . ?
C3 C2 H2 126.1 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N8 C28 H28A 109.5 . . ?
N8 C28 H28B 109.5 . . ?
N8 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O4 C25 N6 120.2(3) . . ?
O4 C25 C24 125.8(4) . . ?
N6 C25 C24 114.0(3) . . ?
N3 C3 H3 127.3 . . ?
C2 C3 N3 105.5(4) . . ?
C2 C3 H3 127.3 . . ?

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
Ru2 N5 C23 N7 10.0(4) . . . . ?
Ru2 N5 C23 C24 -168.8(3) . . . . ?
Ru2 N5 C26 O3 -14.3(5) . . . . ?
Ru2 N5 C26 N6 165.1(3) . . . . ?
Ru2 C29 C34 C33 55.0(3) . . . . ?
Ru2 C29 C30 C31 -57.1(3) . . . . ?
Ru2 C29 C35 C36 58.1(5) . . . . ?
Ru2 C29 C35 C37 -176.6(3) . . . . ?
Ru2 C32 C33 C34 -54.3(3) . . . . ?
Ru2 C32 C31 C30 50.9(3) . . . . ?
Ru2 C33 C34 C29 -54.6(3) . . . . ?
Ru2 C31 C30 C29 55.9(3) . . . . ?
Ru1 N1 C7 O2 -10.9(5) . . . . ?
Ru1 N1 C7 N2 168.6(3) . . . . ?
Ru1 N1 C4 N3 8.9(4) . . . . ?
Ru1 N1 C4 C5 -170.5(3) . . . . ?
Ru1 C11 C10 C16 -127.6(3) . . . . ?
Ru1 C11 C10 C15 53.9(3) . . . . ?
Ru1 C11 C12 C13 -52.9(3) . . . . ?
Ru1 C10 C15 C14 54.6(3) . . . . ?
Ru1 C12 C13 C14 -50.8(3) . . . . ?
Ru1 C12 C13 C19 125.7(4) . . . . ?
Ru1 C15 C14 C13 57.9(3) . . . . ?
Ru1 C14 C13 C12 52.1(3) . . . . ?
Ru1 C14 C13 C19 -124.5(4) . . . . ?
N7 C23 C24 C25 -176.9(3) . . . . ?
N7 C22 C21 N8 -0.7(5) . . . . ?
O1 C6 C5 C4 178.9(4) . . . . ?
N5 C23 C24 C25 1.8(6) . . . . ?
N2 C6 C5 C4 -1.6(5) . . . . ?
C11 C10 C15 Ru1 -53.3(3) . . . . ?
C11 C10 C15 C14 1.3(5) . . . . ?
C11 C12 C13 Ru1 50.1(3) . . . . ?
C11 C12 C13 C14 -0.7(5) . . . . ?
C11 C12 C13 C19 175.7(4) . . . . ?
C6 N2 C7 O2 -178.2(4) . . . . ?
C6 N2 C7 N1 2.2(6) . . . . ?
C6 C5 C4 N1 0.5(6) . . . . ?
C6 C5 C4 N3 -178.9(3) . . . . ?
N4 C2 C3 N3 -0.9(5) . . . . ?
C7 N2 C6 O1 179.8(4) . . . . ?
C7 N2 C6 C5 0.3(5) . . . . ?
C7 N1 C4 N3 -178.5(3) . . . . ?
C7 N1 C4 C5 2.1(6) . . . . ?
C20 N7 C23 N5 -9.2(5) . . . . ?
C20 N7 C23 C24 169.7(4) . . . . ?
C20 N7 C22 C21 -0.1(5) . . . . ?
C20 N8 C21 C22 1.4(5) . . . . ?
C27 N6 C26 O3 3.4(5) . . . . ?
C27 N6 C26 N5 -176.0(3) . . . . ?
C27 N6 C25 O4 -0.8(6) . . . . ?
C27 N6 C25 C24 177.8(3) . . . . ?
C1 N3 C4 N1 -6.1(5) . . . . ?
C1 N3 C4 C5 173.3(4) . . . . ?
C1 N3 C3 C2 0.9(5) . . . . ?
C1 N4 C2 C3 0.6(5) . . . . ?
C23 N7 C20 Ru2 4.1(4) . . . . ?
C23 N7 C20 N8 -174.5(3) . . . . ?
C23 N7 C22 C21 174.6(4) . . . . ?
C23 N5 C26 O3 177.6(4) . . . . ?
C23 N5 C26 N6 -3.0(5) . . . . ?
C23 C24 C25 O4 178.1(4) . . . . ?
C23 C24 C25 N6 -0.4(5) . . . . ?
C16 C10 C15 Ru1 128.3(4) . . . . ?
C16 C10 C15 C14 -177.2(4) . . . . ?
C10 C11 C12 Ru1 58.6(3) . . . . ?
C10 C11 C12 C13 5.7(5) . . . . ?
C10 C15 C14 Ru1 -54.4(3) . . . . ?
C10 C15 C14 C13 3.5(5) . . . . ?
C22 N7 C20 Ru2 179.6(3) . . . . ?
C22 N7 C20 N8 0.9(4) . . . . ?
C22 N7 C23 N5 176.4(4) . . . . ?
C22 N7 C23 C24 -4.7(6) . . . . ?
C32 C33 C34 Ru2 56.1(3) . . . . ?
C32 C33 C34 C29 1.5(6) . . . . ?
C32 C31 C30 Ru2 -52.6(3) . . . . ?
C32 C31 C30 C29 3.3(5) . . . . ?
C38 C32 C33 Ru2 -123.0(4) . . . . ?
C38 C32 C33 C34 -177.3(4) . . . . ?
C38 C32 C31 Ru2 124.1(4) . . . . ?
C38 C32 C31 C30 174.9(4) . . . . ?
C26 N5 C23 N7 178.8(3) . . . . ?
C26 N5 C23 C24 0.0(6) . . . . ?
C26 N6 C25 O4 178.6(4) . . . . ?
C26 N6 C25 C24 -2.8(5) . . . . ?
C33 C32 C31 Ru2 -52.2(3) . . . . ?
C33 C32 C31 C30 -1.3(5) . . . . ?
C34 C29 C30 Ru2 54.4(3) . . . . ?
C34 C29 C30 C31 -2.8(5) . . . . ?
C34 C29 C35 C36 -33.6(5) . . . . ?
C34 C29 C35 C37 91.6(5) . . . . ?
C12 C11 C10 Ru1 -59.7(3) . . . . ?
C12 C11 C10 C16 172.7(4) . . . . ?
C12 C11 C10 C15 -5.8(5) . . . . ?
C31 C32 C33 Ru2 53.3(3) . . . . ?
C31 C32 C33 C34 -1.1(6) . . . . ?
C4 N1 C7 O2 177.2(4) . . . . ?
C4 N1 C7 N2 -3.3(5) . . . . ?
C4 N3 C1 Ru1 0.3(4) . . . . ?
C4 N3 C1 N4 -176.3(3) . . . . ?
C4 N3 C3 C2 176.2(4) . . . . ?
C15 C14 C13 Ru1 -55.8(3) . . . . ?
C15 C14 C13 C12 -3.7(6) . . . . ?
C15 C14 C13 C19 179.7(4) . . . . ?
C17 C16 C10 Ru1 -166.8(3) . . . . ?
C17 C16 C10 C11 -78.3(4) . . . . ?
C17 C16 C10 C15 100.1(4) . . . . ?
C21 N8 C20 Ru2 -179.5(3) . . . . ?
C21 N8 C20 N7 -1.4(4) . . . . ?
C30 C29 C34 Ru2 -54.7(3) . . . . ?
C30 C29 C34 C33 0.4(5) . . . . ?
C30 C29 C35 C36 147.3(4) . . . . ?
C30 C29 C35 C37 -87.5(5) . . . . ?
C9 N2 C6 O1 3.4(5) . . . . ?
C9 N2 C6 C5 -176.1(4) . . . . ?
C9 N2 C7 O2 -1.8(5) . . . . ?
C9 N2 C7 N1 178.7(3) . . . . ?
C35 C29 C34 Ru2 126.2(4) . . . . ?
C35 C29 C34 C33 -178.7(4) . . . . ?
C35 C29 C30 Ru2 -126.4(3) . . . . ?
C35 C29 C30 C31 176.4(4) . . . . ?
C18 C16 C10 Ru1 69.7(4) . . . . ?
C18 C16 C10 C11 158.3(4) . . . . ?
C18 C16 C10 C15 -23.4(5) . . . . ?
C2 N4 C1 Ru1 -175.3(3) . . . . ?
C2 N4 C1 N3 0.0(4) . . . . ?
C8 N4 C1 Ru1 2.3(6) . . . . ?
C8 N4 C1 N3 177.7(4) . . . . ?
C8 N4 C2 C3 -177.1(4) . . . . ?
C28 N8 C20 Ru2 -0.4(7) . . . . ?
C28 N8 C20 N7 177.8(4) . . . . ?
C28 N8 C21 C22 -177.8(4) . . . . ?
C25 N6 C26 O3 -176.0(4) . . . . ?
C25 N6 C26 N5 4.6(6) . . . . ?
C3 N3 C1 Ru1 176.0(3) . . . . ?
C3 N3 C1 N4 -0.6(4) . . . . ?
C3 N3 C4 N1 179.0(4) . . . . ?
C3 N3 C4 C5 -1.6(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.71(3)
2 0.29(3)

