# Supplementary Information (SI) for Journal of Materials Chemistry B.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_mo_ip17_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2401697'
loop_
_audit_author_name
_audit_author_address
'Marappan Velusamy'
;North Eastern Hill University
India
;
_audit_update_record             
;
2025-04-28 deposited with the CCDC.	2025-05-13 downloaded from the CCDC.
;
_audit_creation_date             2025-04-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H22 N Ru S, Cl'
_chemical_formula_sum            'C23 H22 Cl N Ru S'
_chemical_formula_weight         480.99
_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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        P2/c
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   12.9736(8)
_cell_length_b                   8.6154(5)
_cell_length_c                   18.2307(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.108(2)
_cell_angle_gamma                90
_cell_volume                     2036.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7506
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.888
_shelx_estimated_absorpt_T_min   0.880
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23219
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         2.236
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3023
_reflns_number_total             3872
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.473
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         3872
_refine_ls_number_restraints     446
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0369
_refine_ls_restrained_S_all      1.000
_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)+(0.0332P)²+1.6431P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0855
_refine_special_details          ?
_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
2. Restrained distances
 C23A-C22 = C22A-C23 = C21A-C22A = C22-C21
 1.54 with sigma of 0.02
 C22A-C18 \\sim C22-C18
 with sigma of 0.01
 C19-C22 \\sim C22-C17
 with sigma of 0.02
 C19-C20 \\sim C19A-C20A
 with sigma of 0.02
 C19-C18 \\sim C19A-C18A
 with sigma of 0.02
 C20-C15 \\sim C20A-C15A
 with sigma of 0.02
 C15-C16 \\sim C15A-C16A
 with sigma of 0.02
 C15-C14 \\sim C15A-C14A
 with sigma of 0.02
 C18-C17 \\sim C18A-C17A
 with sigma of 0.02
 C18-C22 \\sim C18A-C22
 with sigma of 0.02
 C18-C22A \\sim C18A-C22A
 with sigma of 0.02
 C16-C17 \\sim C16A-C17A
 with sigma of 0.02
 Ru1-C19 \\sim Ru1-C19A
 with sigma of 0.04
 Ru1-C20 \\sim Ru1-C20A
 with sigma of 0.04
 Ru1-C15 \\sim Ru1-C15A
 with sigma of 0.04
 Ru1-C18 \\sim Ru1-C18A
 with sigma of 0.04
 Ru1-C16 \\sim Ru1-C16A
 with sigma of 0.04
 Ru1-C17 \\sim Ru1-C17A
 with sigma of 0.04
 Ru1-C14 \\sim Ru1-C14A
 with sigma of 0.04
 C19-C15 \\sim C19A-C15A
 with sigma of 0.04
 C19-C17 \\sim C19A-C17A
 with sigma of 0.04
 C19-C22 \\sim C19A-C22
 with sigma of 0.04
 C19-C22A \\sim C19A-C22A
 with sigma of 0.04
 C20-C18 \\sim C20A-C18A
 with sigma of 0.04
 C20-C16 \\sim C20A-C16A
 with sigma of 0.04
 C20-C14 \\sim C20A-C14A
 with sigma of 0.04
 C15-C17 \\sim C15A-C17A
 with sigma of 0.04
 C18-C16 \\sim C18A-C16A
 with sigma of 0.04
 C16-C14 \\sim C16A-C14A
 with sigma of 0.04
 C17-C22 \\sim C17A-C22
 with sigma of 0.04
 C17-C22A \\sim C17A-C22A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C21 \\sim C21A \\sim C22 \\sim C22A \\sim C23 \\sim C23A: within 2A with sigma
of 0.04 and sigma for terminal atoms of 0.08 within 2A
C14 \\sim C14A \\sim C15 \\sim C15A \\sim C16 \\sim C16A \\sim C17 \\sim C17A
\\sim C18 \\sim C18A \\sim C19 \\sim C19A \\sim C20 \\sim C20A: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(C21) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C22A)
\\sim Ueq, Uanis(C23A) \\sim Ueq, Uanis(C21A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 C21, C21A, C22, C22A, C23, C23A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C14, C14A, C15, C15A, C16, C16A, C17, C17A, C18, C18A, C19, C19A, C20, C20A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=Sof(C15A)=Sof(C16A)=Sof(H16A)=
 Sof(C17A)=Sof(H17A)=Sof(C18A)=Sof(C19A)=Sof(H19A)=Sof(C20A)=Sof(H20A)=Sof(C21)=
 Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C22)=Sof(H22)=Sof(C23A)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=1-FVAR(1)
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(C16)=Sof(H16)=Sof(C17)=
 Sof(H17)=Sof(C18)=Sof(C19)=Sof(H19)=Sof(C20)=Sof(H20)=Sof(C21A)=Sof(H21D)=
 Sof(H21E)=Sof(H21F)=Sof(C22A)=Sof(H22A)=Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=
 FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C22(H22), C22A(H22A)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C16(H16), C16A(H16A), C17(H17), C17A(H17A), C19(H19), C19A(H19A), C20(H20),
 C20A(H20A)
6.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C14A(H14D,H14E,H14F), C21(H21A,H21B,H21C), C21A(H21D,
 H21E,H21F), C23(H23A,H23B,H23C), C23A(H23D,H23E,H23F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.80930(2) 0.43978(3) 0.38541(2) 0.04605(11) Uani 1 1 d D . . . .
S1 S 0.70029(9) 0.00535(14) 0.49403(7) 0.0738(3) Uani 1 1 d . . . . .
N1 N 0.6470(2) 0.4228(3) 0.40620(15) 0.0466(7) Uani 1 1 d . . . . .
C1 C 0.8019(3) 0.2374(4) 0.4423(2) 0.0508(9) Uani 1 1 d . . . . .
C2 C 0.8746(3) 0.1240(5) 0.4657(2) 0.0656(11) Uani 1 1 d . . . . .
H2 H 0.945516 0.136342 0.462293 0.079 Uiso 1 1 calc R U . . .
C3 C 0.8304(4) -0.0051(6) 0.4938(3) 0.0800(14) Uani 1 1 d . . . . .
H3 H 0.867884 -0.090459 0.511015 0.096 Uiso 1 1 calc R U . . .
C4 C 0.7042(3) 0.1895(4) 0.4547(2) 0.0521(9) Uani 1 1 d . . . . .
C5 C 0.6187(3) 0.2866(4) 0.4365(2) 0.0502(9) Uani 1 1 d . . . . .
C6 C 0.5151(3) 0.2511(5) 0.4492(2) 0.0568(10) Uani 1 1 d . . . . .
H6 H 0.498110 0.156013 0.469733 0.068 Uiso 1 1 calc R U . . .
C7 C 0.4407(3) 0.3541(5) 0.4318(2) 0.0602(10) Uani 1 1 d . . . . .
H7 H 0.372136 0.329524 0.439627 0.072 Uiso 1 1 calc R U . . .
C8 C 0.4654(3) 0.4976(5) 0.4022(2) 0.0561(10) Uani 1 1 d . . . . .
C9 C 0.3915(3) 0.6129(6) 0.3856(2) 0.0709(13) Uani 1 1 d . . . . .
H9 H 0.322143 0.592230 0.392529 0.085 Uiso 1 1 calc R U . . .
C10 C 0.4194(4) 0.7534(6) 0.3598(3) 0.0805(15) Uani 1 1 d . . . . .
H10 H 0.369030 0.827016 0.348148 0.097 Uiso 1 1 calc R U . . .
C11 C 0.5236(4) 0.7891(5) 0.3503(2) 0.0747(13) Uani 1 1 d . . . . .
H11 H 0.541913 0.886625 0.333114 0.090 Uiso 1 1 calc R U . . .
C12 C 0.5990(3) 0.6800(5) 0.3663(2) 0.0616(10) Uani 1 1 d . . . . .
H12 H 0.668076 0.704715 0.360684 0.074 Uiso 1 1 calc R U . . .
C13 C 0.5718(3) 0.5329(4) 0.39087(19) 0.0493(9) Uani 1 1 d . . . . .
C14 C 1.0021(17) 0.718(2) 0.3843(11) 0.079(5) Uani 0.490(13) 1 d D U P A 1
H14A H 0.957675 0.803994 0.393937 0.119 Uiso 0.490(13) 1 calc R U P A 1
H14B H 1.056414 0.751121 0.353634 0.119 Uiso 0.490(13) 1 calc R U P A 1
H14C H 1.031288 0.678811 0.429836 0.119 Uiso 0.490(13) 1 calc R U P A 1
C14A C 0.9738(16) 0.748(2) 0.3593(10) 0.093(6) Uani 0.510(13) 1 d D U P A 2
H14D H 0.923011 0.826759 0.366712 0.139 Uiso 0.510(13) 1 calc R U P A 2
H14E H 1.022776 0.784472 0.325036 0.139 Uiso 0.510(13) 1 calc R U P A 2
H14F H 1.008924 0.724248 0.405218 0.139 Uiso 0.510(13) 1 calc R U P A 2
C15 C 0.9407(13) 0.5915(19) 0.3460(11) 0.058(4) Uani 0.490(13) 1 d D U P A 1
C15A C 0.9217(14) 0.6037(18) 0.3293(11) 0.063(4) Uani 0.510(13) 1 d D U P A 2
C16 C 0.8528(15) 0.6329(19) 0.3036(10) 0.061(4) Uani 0.490(13) 1 d D U P A 1
H16 H 0.837083 0.737215 0.296410 0.074 Uiso 0.490(13) 1 calc R U P A 1
C16A C 0.8294(13) 0.6061(17) 0.2881(10) 0.058(4) Uani 0.510(13) 1 d D U P A 2
H16A H 0.799440 0.700193 0.274295 0.070 Uiso 0.510(13) 1 calc R U P A 2
C17 C 0.7870(14) 0.517(2) 0.2711(9) 0.056(4) Uani 0.490(13) 1 d D U P A 1
H17 H 0.723370 0.544992 0.249844 0.068 Uiso 0.490(13) 1 calc R U P A 1
C17A C 0.7810(14) 0.464(2) 0.2672(9) 0.059(4) Uani 0.510(13) 1 d D U P A 2
H17A H 0.716840 0.467570 0.242762 0.071 Uiso 0.510(13) 1 calc R U P A 2
C18 C 0.8181(17) 0.361(2) 0.2711(10) 0.058(4) Uani 0.490(13) 1 d D U P A 1
C18A C 0.8253(15) 0.3169(18) 0.2818(10) 0.055(4) Uani 0.510(13) 1 d D U P A 2
C19 C 0.9108(14) 0.324(2) 0.3104(12) 0.058(4) Uani 0.490(13) 1 d D U P A 1
H19 H 0.935335 0.222683 0.308499 0.069 Uiso 0.490(13) 1 calc R U P A 1
C19A C 0.9193(15) 0.317(2) 0.3244(12) 0.059(4) Uani 0.510(13) 1 d D U P A 2
H19A H 0.949148 0.223967 0.339265 0.071 Uiso 0.510(13) 1 calc R U P A 2
C20 C 0.9683(13) 0.436(2) 0.3528(14) 0.061(4) Uani 0.490(13) 1 d D U P A 1
H20 H 1.022792 0.405102 0.384148 0.074 Uiso 0.490(13) 1 calc R U P A 1
C20A C 0.9679(11) 0.460(2) 0.3444(14) 0.061(4) Uani 0.510(13) 1 d D U P A 2
H20A H 1.032530 0.457428 0.368238 0.074 Uiso 0.510(13) 1 calc R U P A 2
C21 C 0.6626(10) 0.1626(19) 0.2507(9) 0.092(4) Uani 0.510(13) 1 d D U P A 2
H21A H 0.639830 0.221774 0.208558 0.138 Uiso 0.510(13) 1 calc R U P A 2
H21B H 0.634749 0.207015 0.294056 0.138 Uiso 0.510(13) 1 calc R U P A 2
H21C H 0.639290 0.057350 0.245374 0.138 Uiso 0.510(13) 1 calc R U P A 2
C21A C 0.6463(9) 0.2316(17) 0.2409(9) 0.079(4) Uani 0.490(13) 1 d D U P A 1
H21D H 0.611317 0.161907 0.207318 0.119 Uiso 0.490(13) 1 calc R U P A 1
H21E H 0.619062 0.334422 0.234307 0.119 Uiso 0.490(13) 1 calc R U P A 1
H21F H 0.636264 0.198052 0.290360 0.119 Uiso 0.490(13) 1 calc R U P A 1
C22 C 0.7762(9) 0.1653(18) 0.2572(7) 0.080(3) Uani 0.510(13) 1 d D U P A 2
H22 H 0.799821 0.082351 0.290567 0.095 Uiso 0.510(13) 1 calc R U P A 2
C22A C 0.7602(8) 0.2322(13) 0.2264(7) 0.071(3) Uani 0.490(13) 1 d D U P A 1
H22A H 0.763546 0.266465 0.175298 0.085 Uiso 0.490(13) 1 calc R U P A 1
C23 C 0.8187(11) 0.0734(14) 0.2283(11) 0.111(5) Uani 0.490(13) 1 d D U P A 1
H23A H 0.815455 0.028604 0.276336 0.166 Uiso 0.490(13) 1 calc R U P A 1
H23B H 0.889526 0.089904 0.216790 0.166 Uiso 0.490(13) 1 calc R U P A 1
H23C H 0.787151 0.004225 0.192791 0.166 Uiso 0.490(13) 1 calc R U P A 1
C23A C 0.8159(10) 0.1329(18) 0.1801(7) 0.101(4) Uani 0.510(13) 1 d D U P A 2
H23D H 0.783799 0.040536 0.160583 0.152 Uiso 0.510(13) 1 calc R U P A 2
H23E H 0.889306 0.118936 0.183142 0.152 Uiso 0.510(13) 1 calc R U P A 2
H23F H 0.799179 0.219047 0.148408 0.152 Uiso 0.510(13) 1 calc R U P A 2
Cl1 Cl 0.82499(7) 0.57417(11) 0.50113(5) 0.0569(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 2.158(3) . ?
Ru1 C1 2.033(4) . ?
Ru1 C15 2.285(15) . ?
Ru1 C15A 2.297(17) . ?
Ru1 C17 2.197(16) . ?
Ru1 C17A 2.182(16) . ?
Ru1 C18 2.200(17) . ?
Ru1 C18A 2.182(16) . ?
Ru1 C19 2.176(17) . ?
Ru1 C19A 2.121(18) . ?
Ru1 C20 2.168(19) . ?
Ru1 C20A 2.222(17) . ?
S1 C3 1.691(5) . ?
S1 C4 1.742(4) . ?
N1 C5 1.354(4) . ?
N1 C13 1.382(4) . ?
C1 C2 1.413(5) . ?
C1 C4 1.360(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.360(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.419(5) . ?
C5 C6 1.407(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.341(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.391(6) . ?
C8 C9 1.406(6) . ?
C8 C13 1.437(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.353(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.403(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.394(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 C15 1.504(11) . ?
C14A H14D 0.9600 . ?
C14A H14E 0.9600 . ?
C14A H14F 0.9600 . ?
C14A C15A 1.507(11) . ?
C15 C16 1.401(13) . ?
C15 C20 1.395(12) . ?
C15A C16A 1.390(12) . ?
C15A C20A 1.399(12) . ?
C16 H16 0.9300 . ?
C16 C17 1.428(12) . ?
C16A H16A 0.9300 . ?
C16A C17A 1.425(12) . ?
C17 H17 0.9300 . ?
C17 C18 1.405(13) . ?
C17A H17A 0.9300 . ?
C17A C18A 1.410(12) . ?
C18 C19 1.413(12) . ?
C18 C22A 1.553(19) . ?
C18A C19A 1.421(12) . ?
C18A C22 1.513(19) . ?
C19 H19 0.9300 . ?
C19 C20 1.428(13) . ?
C19A H19A 0.9300 . ?
C19A C20A 1.422(12) . ?
C20 H20 0.9300 . ?
C20A H20A 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 C22 1.474(13) . ?
C21A H21D 0.9600 . ?
C21A H21E 0.9600 . ?
C21A H21F 0.9600 . ?
C21A C22A 1.510(13) . ?
C22 H22 0.9800 . ?
C22 C23A 1.541(13) . ?
C22A H22A 0.9800 . ?
C22A C23 1.564(14) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C23A H23D 0.9600 . ?
C23A H23E 0.9600 . ?
C23A H23F 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 C15 146.9(5) . . ?
N1 Ru1 C15A 139.4(5) . . ?
N1 Ru1 C17 95.3(5) . . ?
N1 Ru1 C17A 92.8(5) . . ?
N1 Ru1 C18 103.3(6) . . ?
N1 Ru1 C18A 104.1(5) . . ?
N1 Ru1 C19 134.1(5) . . ?
N1 Ru1 C20 172.5(6) . . ?
N1 Ru1 C20A 170.4(6) . . ?
C1 Ru1 N1 77.75(13) . . ?
C1 Ru1 C15 134.5(5) . . ?
C1 Ru1 C15A 142.8(5) . . ?
C1 Ru1 C17 137.5(5) . . ?
C1 Ru1 C17A 125.1(4) . . ?
C1 Ru1 C18 102.9(5) . . ?
C1 Ru1 C18A 91.9(5) . . ?
C1 Ru1 C19 88.2(6) . . ?
C1 Ru1 C19A 83.5(6) . . ?
C1 Ru1 C20 100.9(5) . . ?
C1 Ru1 C20A 107.5(5) . . ?
C17 Ru1 C15 66.6(5) . . ?
C17 Ru1 C18 37.3(4) . . ?
C17A Ru1 C15A 65.8(5) . . ?
C17A Ru1 C20A 77.6(7) . . ?
C18 Ru1 C15 79.3(7) . . ?
C18A Ru1 C15A 80.3(6) . . ?
C18A Ru1 C17A 37.7(4) . . ?
C18A Ru1 C20A 68.2(6) . . ?
C19 Ru1 C15 65.7(6) . . ?
C19 Ru1 C17 66.7(6) . . ?
C19 Ru1 C18 37.7(4) . . ?
C19A Ru1 N1 137.5(5) . . ?
C19A Ru1 C15A 67.8(6) . . ?
C19A Ru1 C17A 67.7(6) . . ?
C19A Ru1 C18A 38.5(4) . . ?
C19A Ru1 C20A 38.1(4) . . ?
C20 Ru1 C15 36.4(4) . . ?
C20 Ru1 C17 80.7(7) . . ?
C20 Ru1 C18 69.6(6) . . ?
C20 Ru1 C19 38.4(4) . . ?
C20A Ru1 C15A 36.0(4) . . ?
C3 S1 C4 90.2(2) . . ?
C5 N1 Ru1 114.3(2) . . ?
C5 N1 C13 118.5(3) . . ?
C13 N1 Ru1 127.2(2) . . ?
C2 C1 Ru1 134.7(3) . . ?
C4 C1 Ru1 114.0(3) . . ?
C4 C1 C2 110.8(4) . . ?
C1 C2 H2 123.4 . . ?
C3 C2 C1 113.1(4) . . ?
C3 C2 H2 123.4 . . ?
S1 C3 H3 123.4 . . ?
C2 C3 S1 113.1(3) . . ?
C2 C3 H3 123.4 . . ?
C1 C4 S1 112.8(3) . . ?
C1 C4 C5 120.5(3) . . ?
C5 C4 S1 126.8(3) . . ?
N1 C5 C4 112.7(3) . . ?
N1 C5 C6 122.1(4) . . ?
C6 C5 C4 125.3(4) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.1(4) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.8 . . ?
C6 C7 C8 120.4(4) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C9 123.1(4) . . ?
C7 C8 C13 118.7(4) . . ?
C9 C8 C13 118.1(4) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.7(4) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(5) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.1(4) . . ?
C13 C12 H12 119.9 . . ?
N1 C13 C8 120.1(3) . . ?
N1 C13 C12 120.3(3) . . ?
C12 C13 C8 119.7(4) . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C15A C14A H14D 109.5 . . ?
C15A C14A H14E 109.5 . . ?
C15A C14A H14F 109.5 . . ?
C14 C15 Ru1 131.0(14) . . ?
C16 C15 Ru1 73.6(8) . . ?
C16 C15 C14 118.6(12) . . ?
C20 C15 Ru1 67.3(9) . . ?
C20 C15 C14 121.7(12) . . ?
C20 C15 C16 119.7(11) . . ?
C14A C15A Ru1 129.0(14) . . ?
C16A C15A Ru1 72.6(9) . . ?
C16A C15A C14A 123.3(12) . . ?
C16A C15A C20A 118.3(10) . . ?
C20A C15A Ru1 69.1(9) . . ?
C20A C15A C14A 118.4(13) . . ?
Ru1 C16 H16 136.6 . . ?
C15 C16 Ru1 71.0(9) . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 120.9(11) . . ?
C17 C16 Ru1 67.0(8) . . ?
C17 C16 H16 119.5 . . ?
Ru1 C16A H16A 133.9 . . ?
C15A C16A Ru1 72.2(8) . . ?
C15A C16A H16A 120.2 . . ?
C15A C16A C17A 119.6(10) . . ?
C17A C16A Ru1 66.9(8) . . ?
C17A C16A H16A 120.2 . . ?
Ru1 C17 H17 123.8 . . ?
C16 C17 Ru1 76.2(9) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 Ru1 71.4(9) . . ?
C18 C17 C16 120.1(12) . . ?
C18 C17 H17 120.0 . . ?
Ru1 C17A H17A 126.4 . . ?
C16A C17A Ru1 76.1(8) . . ?
C16A C17A H17A 118.3 . . ?
C18A C17A Ru1 71.1(9) . . ?
C18A C17A C16A 123.3(11) . . ?
C18A C17A H17A 118.3 . . ?
C17 C18 Ru1 71.3(9) . . ?
C17 C18 C19 117.1(11) . . ?
C17 C18 C22A 123.3(14) . . ?
C19 C18 Ru1 70.2(9) . . ?
C19 C18 C22A 119.4(14) . . ?
C22A C18 Ru1 132.6(13) . . ?
C17A C18A Ru1 71.1(8) . . ?
C17A C18A C19A 115.8(11) . . ?
C17A C18A C22 123.6(13) . . ?
C19A C18A Ru1 68.4(9) . . ?
C19A C18A C22 120.5(13) . . ?
C22 C18A Ru1 128.5(12) . . ?
Ru1 C19 H19 132.0 . . ?
C18 C19 Ru1 72.1(9) . . ?
C18 C19 H19 118.6 . . ?
C18 C19 C20 122.8(12) . . ?
C20 C19 Ru1 70.5(10) . . ?
C20 C19 H19 118.6 . . ?
Ru1 C19A H19A 123.9 . . ?
C18A C19A Ru1 73.0(9) . . ?
C18A C19A H19A 119.8 . . ?
C18A C19A C20A 120.5(13) . . ?
C20A C19A Ru1 74.8(10) . . ?
C20A C19A H19A 119.8 . . ?
Ru1 C20 H20 123.1 . . ?
C15 C20 Ru1 76.4(9) . . ?
C15 C20 C19 118.3(13) . . ?
C15 C20 H20 120.9 . . ?
C19 C20 Ru1 71.1(9) . . ?
C19 C20 H20 120.9 . . ?
Ru1 C20A H20A 132.1 . . ?
C15A C20A Ru1 74.9(9) . . ?
C15A C20A C19A 122.1(11) . . ?
C15A C20A H20A 119.0 . . ?
C19A C20A Ru1 67.1(10) . . ?
C19A C20A H20A 119.0 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C22A C21A H21D 109.5 . . ?
C22A C21A H21E 109.5 . . ?
C22A C21A H21F 109.5 . . ?
C18A C22 H22 109.1 . . ?
C18A C22 C23A 106.0(12) . . ?
C21 C22 C18A 116.5(13) . . ?
C21 C22 H22 109.1 . . ?
C21 C22 C23A 106.9(11) . . ?
C23A C22 H22 109.1 . . ?
C18 C22A H22A 104.2 . . ?
C18 C22A C23 112.8(11) . . ?
C21A C22A C18 111.6(12) . . ?
C21A C22A H22A 104.2 . . ?
C21A C22A C23 118.1(11) . . ?
C23 C22A H22A 104.2 . . ?
C22A C23 H23A 109.5 . . ?
C22A C23 H23B 109.5 . . ?
C22A C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C23A H23D 109.5 . . ?
C22 C23A H23E 109.5 . . ?
C22 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 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 C5 C4 5.8(4) . . . . ?
Ru1 N1 C5 C6 -175.6(3) . . . . ?
Ru1 N1 C13 C8 174.4(2) . . . . ?
Ru1 N1 C13 C12 -7.4(5) . . . . ?
Ru1 C1 C2 C3 -171.0(3) . . . . ?
Ru1 C1 C4 S1 172.99(18) . . . . ?
Ru1 C1 C4 C5 -7.3(5) . . . . ?
Ru1 C15 C16 C17 -46.5(16) . . . . ?
Ru1 C15 C20 C19 59.4(17) . . . . ?
Ru1 C15A C16A C17A -49.0(15) . . . . ?
Ru1 C15A C20A C19A 50(2) . . . . ?
Ru1 C16 C17 C18 -58.6(15) . . . . ?
Ru1 C16A C17A C18A -55.9(15) . . . . ?
Ru1 C17 C18 C19 -55.0(16) . . . . ?
Ru1 C17 C18 C22A 129.2(19) . . . . ?
Ru1 C17A C18A C19A -53.4(15) . . . . ?
Ru1 C17A C18A C22 124.3(17) . . . . ?
Ru1 C18 C19 C20 -51(2) . . . . ?
Ru1 C18 C22A C21A 43.2(19) . . . . ?
Ru1 C18 C22A C23 -93(2) . . . . ?
Ru1 C18A C19A C20A -60.1(18) . . . . ?
Ru1 C18A C22 C21 62.1(18) . . . . ?
Ru1 C18A C22 C23A -179.2(14) . . . . ?
Ru1 C19 C20 C15 -62.2(18) . . . . ?
Ru1 C19A C20A C15A -53(2) . . . . ?
S1 C4 C5 N1 -179.6(3) . . . . ?
S1 C4 C5 C6 1.9(6) . . . . ?
N1 C5 C6 C7 -0.6(6) . . . . ?
C1 C2 C3 S1 -0.7(5) . . . . ?
C1 C4 C5 N1 0.8(5) . . . . ?
C1 C4 C5 C6 -177.7(4) . . . . ?
C2 C1 C4 S1 -0.7(4) . . . . ?
C2 C1 C4 C5 179.0(4) . . . . ?
C3 S1 C4 C1 0.3(3) . . . . ?
C3 S1 C4 C5 -179.4(4) . . . . ?
C4 S1 C3 C2 0.2(4) . . . . ?
C4 C1 C2 C3 0.9(5) . . . . ?
C4 C5 C6 C7 177.8(4) . . . . ?
C5 N1 C13 C8 -4.4(5) . . . . ?
C5 N1 C13 C12 173.8(3) . . . . ?
C5 C6 C7 C8 -1.0(6) . . . . ?
C6 C7 C8 C9 -177.4(4) . . . . ?
C6 C7 C8 C13 -0.1(6) . . . . ?
C7 C8 C9 C10 177.2(4) . . . . ?
C7 C8 C13 N1 2.9(5) . . . . ?
C7 C8 C13 C12 -175.4(4) . . . . ?
C8 C9 C10 C11 -1.4(7) . . . . ?
C9 C8 C13 N1 -179.8(3) . . . . ?
C9 C8 C13 C12 2.0(5) . . . . ?
C9 C10 C11 C12 0.9(7) . . . . ?
C10 C11 C12 C13 1.0(6) . . . . ?
C11 C12 C13 N1 179.3(4) . . . . ?
C11 C12 C13 C8 -2.5(6) . . . . ?
C13 N1 C5 C4 -175.3(3) . . . . ?
C13 N1 C5 C6 3.3(5) . . . . ?
C13 C8 C9 C10 -0.1(6) . . . . ?
C14 C15 C16 Ru1 -128.2(18) . . . . ?
C14 C15 C16 C17 -174.7(19) . . . . ?
C14 C15 C20 Ru1 125.3(19) . . . . ?
C14 C15 C20 C19 -175(2) . . . . ?
C14A C15A C16A Ru1 -125.6(19) . . . . ?
C14A C15A C16A C17A -174.7(18) . . . . ?
C14A C15A C20A Ru1 124.0(17) . . . . ?
C14A C15A C20A C19A 174(2) . . . . ?
C15 C16 C17 Ru1 48.2(16) . . . . ?
C15 C16 C17 C18 -10(3) . . . . ?
C15A C16A C17A Ru1 51.4(16) . . . . ?
C15A C16A C17A C18A -5(3) . . . . ?
C16 C15 C20 Ru1 -53.7(17) . . . . ?
C16 C15 C20 C19 6(3) . . . . ?
C16 C17 C18 Ru1 61.0(16) . . . . ?
C16 C17 C18 C19 6(3) . . . . ?
C16 C17 C18 C22A -169.8(17) . . . . ?
C16A C15A C20A Ru1 -55.3(16) . . . . ?
C16A C15A C20A C19A -5(3) . . . . ?
C16A C17A C18A Ru1 58.2(16) . . . . ?
C16A C17A C18A C19A 5(3) . . . . ?
C16A C17A C18A C22 -177.5(17) . . . . ?
C17 C18 C19 Ru1 55.5(16) . . . . ?
C17 C18 C19 C20 4(3) . . . . ?
C17 C18 C22A C21A -52(2) . . . . ?
C17 C18 C22A C23 172.7(18) . . . . ?
C17A C18A C19A Ru1 54.7(14) . . . . ?
C17A C18A C19A C20A -5(3) . . . . ?
C17A C18A C22 C21 -30(2) . . . . ?
C17A C18A C22 C23A 89(2) . . . . ?
C18 C19 C20 Ru1 52.0(19) . . . . ?
C18 C19 C20 C15 -10(3) . . . . ?
C18A C19A C20A Ru1 59.3(18) . . . . ?
C18A C19A C20A C15A 6(3) . . . . ?
C19 C18 C22A C21A 132.7(18) . . . . ?
C19 C18 C22A C23 -3(3) . . . . ?
C19A C18A C22 C21 147.8(17) . . . . ?
C19A C18A C22 C23A -93(2) . . . . ?
C20 C15 C16 Ru1 50.8(17) . . . . ?
C20 C15 C16 C17 4(3) . . . . ?
C20A C15A C16A Ru1 53.6(16) . . . . ?
C20A C15A C16A C17A 5(3) . . . . ?
C22 C18A C19A Ru1 -123.0(16) . . . . ?
C22 C18A C19A C20A 176.9(19) . . . . ?
C22A C18 C19 Ru1 -128.5(17) . . . . ?
C22A C18 C19 C20 -180(2) . . . . ?

_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_nsi_ip13_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2401824'
loop_
_audit_author_name
_audit_author_address
'Marappan Velusamy'
;North Eastern Hill University
India
;
_audit_update_record             
;
2025-04-28 deposited with the CCDC.	2025-05-13 downloaded from the CCDC.
;
_audit_creation_date             2025-04-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H24 Cl N Ru'
_chemical_formula_sum            'C25 H24 Cl N Ru'
_chemical_formula_weight         474.97
_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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8993(8)
_cell_length_b                   12.6648(9)
_cell_length_c                   15.4156(11)
_cell_angle_alpha                98.579(2)
_cell_angle_beta                 94.619(2)
_cell_angle_gamma                105.309(2)
_cell_volume                     2013.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    89996
_cell_measurement_temperature    209.12
_cell_measurement_theta_max      28.889
_cell_measurement_theta_min      1.347
_shelx_estimated_absorpt_T_max   0.966
_shelx_estimated_absorpt_T_min   0.957
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             968
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.048
_exptl_crystal_size_mid          0.041
_exptl_crystal_size_min          0.038
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            89996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.889
_diffrn_reflns_theta_min         1.347
_diffrn_ambient_temperature      209.12
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8084
_reflns_number_total             10396
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.517
_refine_diff_density_min         -2.086
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         10396
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0448
_refine_ls_restrained_S_all      1.051
_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)+(0.0447P)²+2.6066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1104
_refine_special_details          ?
_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
2.a Ternary CH refined with riding coordinates:
 C47(H47), C46(H46), C44(H44), C48(H48), C19(H19), C18(H18), C21(H21),
 C22(H22), C43(H43), C23(H23)
2.b Me refined with riding coordinates:
 C50(H50A,H50B,H50C), C49(H49A,H49B,H49C), C25(H25A,H25B,H25C), C24(H24A,H24B,
 H24C), C16(H16A,H16B,H16C)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C5(H5), C30(H30), C27(H27), C33(H33), C2(H2), C4(H4), C14(H14),
 C12(H12), C34(H34), C28(H28), C29(H29), C3(H3), C37(H37), C15(H15), C38(H38),
 C13(H13), C40(H40), C39(H39), C9(H9)
2.d Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C)
;
_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 0.58756(3) 0.36774(2) 0.11932(2) 0.01562(7) Uani 1 1 d . . . . .
Ru1 Ru 0.80493(3) 0.21954(2) 0.66396(2) 0.02016(8) Uani 1 1 d . . . . .
Cl1 Cl 0.76014(8) 0.02680(7) 0.67694(5) 0.02226(17) Uani 1 1 d . . . . .
Cl2 Cl 0.56055(8) 0.33251(6) -0.04045(5) 0.01932(16) Uani 1 1 d . . . . .
N2 N 0.5557(3) 0.1943(2) 0.11094(17) 0.0175(6) Uani 1 1 d . . . . .
N1 N 0.7466(3) 0.1611(2) 0.52609(18) 0.0209(6) Uani 1 1 d . . . . .
C31 C 0.3487(3) 0.2059(3) 0.1372(2) 0.0173(6) Uani 1 1 d . . . . .
C47 C 0.6827(3) 0.5447(3) 0.1237(2) 0.0193(7) Uani 1 1 d . . . . .
H47 H 0.666514 0.579231 0.072054 0.023 Uiso 1 1 calc R U . . .
C10 C 0.7848(3) 0.1240(3) 0.3722(2) 0.0200(7) Uani 1 1 d . . . . .
C7 C 0.6229(3) 0.1468(3) 0.4977(2) 0.0191(7) Uani 1 1 d . . . . .
C46 C 0.5958(3) 0.5352(3) 0.1865(2) 0.0187(7) Uani 1 1 d . . . . .
H46 H 0.519883 0.563142 0.177466 0.022 Uiso 1 1 calc R U . . .
C32 C 0.4410(3) 0.1398(3) 0.1307(2) 0.0175(6) Uani 1 1 d . . . . .
C26 C 0.3936(3) 0.3134(3) 0.1182(2) 0.0169(6) Uani 1 1 d . . . . .
C44 C 0.6960(3) 0.4100(3) 0.2505(2) 0.0206(7) Uani 1 1 d . . . . .
H44 H 0.692314 0.351129 0.286651 0.025 Uiso 1 1 calc R U . . .
C45 C 0.5993(3) 0.4653(3) 0.2512(2) 0.0194(7) Uani 1 1 d . . . . .
C8 C 0.5740(3) 0.1223(3) 0.4078(2) 0.0221(7) Uani 1 1 d . . . . .
H8 H 0.486101 0.110769 0.390490 0.027 Uiso 1 1 calc R U . . .
C5 C 0.4087(4) 0.1365(3) 0.5533(2) 0.0239(7) Uani 1 1 d . . . . .
H5 H 0.366565 0.114187 0.495143 0.029 Uiso 1 1 calc R U . . .
C30 C 0.2238(3) 0.1647(3) 0.1559(2) 0.0218(7) Uani 1 1 d . . . . .
H30 H 0.196771 0.093553 0.170731 0.026 Uiso 1 1 calc R U . . .
C27 C 0.3060(3) 0.3753(3) 0.1104(2) 0.0198(7) Uani 1 1 d . . . . .
H27 H 0.331948 0.445621 0.093887 0.024 Uiso 1 1 calc R U . . .
C33 C 0.4103(4) 0.0255(3) 0.1370(2) 0.0221(7) Uani 1 1 d . . . . .
H33 H 0.330546 -0.009794 0.153368 0.027 Uiso 1 1 calc R U . . .
C2 C 0.5369(3) 0.2051(3) 0.7232(2) 0.0220(7) Uani 1 1 d . . . . .
H2 H 0.579342 0.228972 0.781159 0.026 Uiso 1 1 calc R U . . .
C35 C 0.6158(3) 0.0208(3) 0.0942(2) 0.0210(7) Uani 1 1 d . . . . .
C42 C 0.7861(3) 0.4936(3) 0.1273(2) 0.0206(7) Uani 1 1 d . . . . .
C11 C 0.8264(3) 0.1422(3) 0.4643(2) 0.0209(7) Uani 1 1 d . . . . .
C36 C 0.6430(3) 0.1357(3) 0.0896(2) 0.0185(7) Uani 1 1 d . . . . .
C48 C 0.5007(4) 0.4554(3) 0.3160(2) 0.0208(7) Uani 1 1 d . . . . .
H48 H 0.418195 0.454240 0.283427 0.025 Uiso 1 1 calc R U . . .
C6 C 0.5436(3) 0.1607(3) 0.5689(2) 0.0223(7) Uani 1 1 d . . . . .
C19 C 0.8248(4) 0.3738(3) 0.7528(2) 0.0271(8) Uani 1 1 d . . . . .
H19 H 0.746236 0.394024 0.767410 0.033 Uiso 1 1 calc R U . . .
C4 C 0.3385(4) 0.1459(3) 0.6238(2) 0.0264(8) Uani 1 1 d . . . . .
H4 H 0.248650 0.128595 0.614241 0.032 Uiso 1 1 calc R U . . .
C14 C 0.9913(4) 0.1030(3) 0.3397(2) 0.0265(8) Uani 1 1 d . . . . .
H14 H 1.047820 0.092374 0.298458 0.032 Uiso 1 1 calc R U . . .
C12 C 0.9527(3) 0.1354(3) 0.4915(2) 0.0218(7) Uani 1 1 d . . . . .
H12 H 0.982020 0.144903 0.551981 0.026 Uiso 1 1 calc R U . . .
C34 C 0.4964(4) -0.0332(3) 0.1192(2) 0.0232(7) Uani 1 1 d . . . . .
H34 H 0.476540 -0.108916 0.123619 0.028 Uiso 1 1 calc R U . . .
C18 C 0.8695(4) 0.3022(3) 0.8018(2) 0.0296(8) Uani 1 1 d . . . . .
H18 H 0.821818 0.273715 0.849445 0.035 Uiso 1 1 calc R U . . .
C21 C 0.9732(3) 0.3537(3) 0.6477(2) 0.0229(7) Uani 1 1 d . . . . .
H21 H 0.997599 0.357749 0.587493 0.027 Uiso 1 1 calc R U . . .
C28 C 0.1794(3) 0.3331(3) 0.1272(2) 0.0248(8) Uani 1 1 d . . . . .
H28 H 0.120815 0.375087 0.121216 0.030 Uiso 1 1 calc R U . . .
C29 C 0.1398(3) 0.2298(3) 0.1526(2) 0.0247(7) Uani 1 1 d . . . . .
H29 H 0.056356 0.204170 0.167381 0.030 Uiso 1 1 calc R U . . .
C3 C 0.4041(4) 0.1815(3) 0.7098(2) 0.0276(8) Uani 1 1 d . . . . .
H3 H 0.358262 0.189432 0.758285 0.033 Uiso 1 1 calc R U . . .
C37 C 0.7581(3) 0.1876(3) 0.0583(2) 0.0217(7) Uani 1 1 d . . . . .
H37 H 0.776103 0.262741 0.052204 0.026 Uiso 1 1 calc R U . . .
C15 C 0.8710(4) 0.1066(3) 0.3116(2) 0.0267(8) Uani 1 1 d . . . . .
H15 H 0.844862 0.097262 0.250629 0.032 Uiso 1 1 calc R U . . .
C1 C 0.6088(4) 0.1945(3) 0.6537(2) 0.0227(7) Uani 1 1 d . . . . .
C22 C 1.0259(4) 0.2886(3) 0.6991(2) 0.0268(8) Uani 1 1 d . . . . .
H22 H 1.081159 0.245370 0.672216 0.032 Uiso 1 1 calc R U . . .
C20 C 0.8757(3) 0.4017(3) 0.6745(2) 0.0232(7) Uani 1 1 d . . . . .
C17 C 0.9695(4) 0.2582(3) 0.7743(2) 0.0296(8) Uani 1 1 d . . . . .
C38 C 0.8441(4) 0.1284(3) 0.0366(2) 0.0260(8) Uani 1 1 d . . . . .
H38 H 0.920267 0.163814 0.015686 0.031 Uiso 1 1 calc R U . . .
C43 C 0.7921(3) 0.4295(3) 0.1916(2) 0.0229(7) Uani 1 1 d . . . . .
H43 H 0.847261 0.378660 0.185188 0.027 Uiso 1 1 calc R U . . .
C13 C 1.0301(4) 0.1153(3) 0.4297(2) 0.0264(8) Uani 1 1 d . . . . .
H13 H 1.111909 0.109487 0.448312 0.032 Uiso 1 1 calc R U . . .
C40 C 0.7073(4) -0.0370(3) 0.0723(2) 0.0249(8) Uani 1 1 d . . . . .
H40 H 0.690325 -0.112719 0.076429 0.030 Uiso 1 1 calc R U . . .
C41 C 0.8760(3) 0.5040(3) 0.0581(2) 0.0285(8) Uani 1 1 d . . . . .
H41A H 0.940217 0.465947 0.070362 0.043 Uiso 1 1 calc R U . . .
H41B H 0.917784 0.581945 0.058928 0.043 Uiso 1 1 calc R U . . .
H41C H 0.828051 0.470660 0.000322 0.043 Uiso 1 1 calc R U . . .
C39 C 0.8201(4) 0.0163(3) 0.0452(2) 0.0285(8) Uani 1 1 d . . . . .
H39 H 0.881320 -0.022048 0.032312 0.034 Uiso 1 1 calc R U . . .
C50 C 0.4785(4) 0.3495(3) 0.3561(2) 0.0274(8) Uani 1 1 d . . . . .
H50A H 0.414791 0.348637 0.396608 0.041 Uiso 1 1 calc R U . . .
H50B H 0.448356 0.284965 0.309243 0.041 Uiso 1 1 calc R U . . .
H50C H 0.558298 0.347680 0.387768 0.041 Uiso 1 1 calc R U . . .
C9 C 0.6554(4) 0.1155(3) 0.3453(2) 0.0256(8) Uani 1 1 d . . . . .
H9 H 0.625196 0.105180 0.284967 0.031 Uiso 1 1 calc R U . . .
C49 C 0.5404(4) 0.5591(3) 0.3887(2) 0.0269(8) Uani 1 1 d . . . . .
H49A H 0.477699 0.553146 0.430303 0.040 Uiso 1 1 calc R U . . .
H49B H 0.623788 0.565045 0.419519 0.040 Uiso 1 1 calc R U . . .
H49C H 0.544764 0.624711 0.362371 0.040 Uiso 1 1 calc R U . . .
C23 C 0.8307(4) 0.4815(3) 0.6248(3) 0.0289(8) Uani 1 1 d . . . . .
H23 H 0.748719 0.488549 0.644844 0.035 Uiso 1 1 calc R U . . .
C25 C 0.9289(4) 0.5966(3) 0.6483(3) 0.0375(10) Uani 1 1 d . . . . .
H25A H 0.900299 0.648020 0.616476 0.056 Uiso 1 1 calc R U . . .
H25B H 0.937127 0.623328 0.711415 0.056 Uiso 1 1 calc R U . . .
H25C H 1.011341 0.591006 0.631904 0.056 Uiso 1 1 calc R U . . .
C24 C 0.8075(4) 0.4424(3) 0.5255(3) 0.0397(10) Uani 1 1 d . . . . .
H24A H 0.778855 0.496613 0.497096 0.060 Uiso 1 1 calc R U . . .
H24B H 0.886430 0.434111 0.504314 0.060 Uiso 1 1 calc R U . . .
H24C H 0.742200 0.371364 0.511449 0.060 Uiso 1 1 calc R U . . .
C16 C 1.0156(5) 0.1787(4) 0.8242(3) 0.0425(11) Uani 1 1 d . . . . .
H16A H 0.967167 0.166684 0.873704 0.064 Uiso 1 1 calc R U . . .
H16B H 1.003111 0.108331 0.784952 0.064 Uiso 1 1 calc R U . . .
H16C H 1.105936 0.210193 0.845934 0.064 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru2 Cl2 2.4161(8) . ?
Ru2 N2 2.114(3) . ?
Ru2 C47 2.195(3) . ?
Ru2 C46 2.192(3) . ?
Ru2 C26 2.041(3) . ?
Ru2 C44 2.175(3) . ?
Ru2 C45 2.191(3) . ?
Ru2 C42 2.305(3) . ?
Ru2 C43 2.290(3) . ?
Ru1 Cl1 2.4019(8) . ?
Ru1 N1 2.129(3) . ?
Ru1 C19 2.161(3) . ?
Ru1 C18 2.194(3) . ?
Ru1 C21 2.207(4) . ?
Ru1 C1 2.066(4) . ?
Ru1 C22 2.323(4) . ?
Ru1 C20 2.207(3) . ?
Ru1 C17 2.268(4) . ?
N2 C32 1.342(4) . ?
N2 C36 1.383(4) . ?
N1 C7 1.340(4) . ?
N1 C11 1.378(4) . ?
C31 C32 1.469(4) . ?
C31 C26 1.403(4) . ?
C31 C30 1.393(5) . ?
C47 H47 0.9900 . ?
C47 C46 1.403(4) . ?
C47 C42 1.441(5) . ?
C10 C11 1.420(5) . ?
C10 C15 1.413(5) . ?
C10 C9 1.409(5) . ?
C7 C8 1.402(5) . ?
C7 C6 1.470(5) . ?
C46 H46 0.9900 . ?
C46 C45 1.434(4) . ?
C32 C33 1.417(4) . ?
C26 C27 1.395(4) . ?
C44 H44 0.9900 . ?
C44 C45 1.411(5) . ?
C44 C43 1.437(5) . ?
C45 C48 1.519(5) . ?
C8 H8 0.9400 . ?
C8 C9 1.369(5) . ?
C5 H5 0.9400 . ?
C5 C6 1.413(5) . ?
C5 C4 1.388(5) . ?
C30 H30 0.9400 . ?
C30 C29 1.387(5) . ?
C27 H27 0.9400 . ?
C27 C28 1.402(5) . ?
C33 H33 0.9400 . ?
C33 C34 1.363(5) . ?
C2 H2 0.9400 . ?
C2 C3 1.389(5) . ?
C2 C1 1.388(5) . ?
C35 C36 1.421(5) . ?
C35 C34 1.415(5) . ?
C35 C40 1.418(5) . ?
C42 C43 1.379(5) . ?
C42 C41 1.503(5) . ?
C11 C12 1.434(5) . ?
C36 C37 1.413(5) . ?
C48 H48 0.9900 . ?
C48 C50 1.529(5) . ?
C48 C49 1.533(5) . ?
C6 C1 1.385(5) . ?
C19 H19 0.9900 . ?
C19 C18 1.417(5) . ?
C19 C20 1.421(5) . ?
C4 H4 0.9400 . ?
C4 C3 1.403(5) . ?
C14 H14 0.9400 . ?
C14 C15 1.361(5) . ?
C14 C13 1.390(5) . ?
C12 H12 0.9400 . ?
C12 C13 1.362(5) . ?
C34 H34 0.9400 . ?
C18 H18 0.9900 . ?
C18 C17 1.416(6) . ?
C21 H21 0.9900 . ?
C21 C22 1.418(5) . ?
C21 C20 1.418(5) . ?
C28 H28 0.9400 . ?
C28 C29 1.391(5) . ?
C29 H29 0.9400 . ?
C3 H3 0.9400 . ?
C37 H37 0.9400 . ?
C37 C38 1.378(5) . ?
C15 H15 0.9400 . ?
C22 H22 0.9900 . ?
C22 C17 1.411(5) . ?
C20 C23 1.511(5) . ?
C17 C16 1.514(5) . ?
C38 H38 0.9400 . ?
C38 C39 1.403(5) . ?
C43 H43 0.9900 . ?
C13 H13 0.9400 . ?
C40 H40 0.9400 . ?
C40 C39 1.368(5) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 H41C 0.9700 . ?
C39 H39 0.9400 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 H50C 0.9700 . ?
C9 H9 0.9400 . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 H49C 0.9700 . ?
C23 H23 0.9900 . ?
C23 C25 1.535(5) . ?
C23 C24 1.516(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 H25C 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ru2 Cl2 86.62(7) . . ?
N2 Ru2 C47 161.75(12) . . ?
N2 Ru2 C46 154.05(11) . . ?
N2 Ru2 C44 94.63(11) . . ?
N2 Ru2 C45 116.76(11) . . ?
N2 Ru2 C42 124.64(11) . . ?
N2 Ru2 C43 99.96(12) . . ?
C47 Ru2 Cl2 91.53(9) . . ?
C47 Ru2 C42 37.25(12) . . ?
C47 Ru2 C43 65.02(13) . . ?
C46 Ru2 Cl2 117.63(9) . . ?
C46 Ru2 C47 37.31(12) . . ?
C46 Ru2 C42 66.86(12) . . ?
C46 Ru2 C43 77.60(12) . . ?
C26 Ru2 Cl2 90.06(9) . . ?
C26 Ru2 N2 77.73(12) . . ?
C26 Ru2 C47 120.46(13) . . ?
C26 Ru2 C46 92.29(13) . . ?
C26 Ru2 C44 114.40(13) . . ?
C26 Ru2 C45 88.52(12) . . ?
C26 Ru2 C42 157.59(13) . . ?
C26 Ru2 C43 151.84(12) . . ?
C44 Ru2 Cl2 155.25(10) . . ?
C44 Ru2 C47 79.61(12) . . ?
C44 Ru2 C46 67.51(12) . . ?
C44 Ru2 C45 37.71(12) . . ?
C44 Ru2 C42 66.45(13) . . ?
C44 Ru2 C43 37.45(12) . . ?
C45 Ru2 Cl2 155.62(9) . . ?
C45 Ru2 C47 68.49(12) . . ?
C45 Ru2 C46 38.19(12) . . ?
C45 Ru2 C42 80.01(12) . . ?
C45 Ru2 C43 67.21(12) . . ?
C42 Ru2 Cl2 92.55(9) . . ?
C43 Ru2 Cl2 117.98(9) . . ?
C43 Ru2 C42 34.92(12) . . ?
N1 Ru1 Cl1 85.94(8) . . ?
N1 Ru1 C19 134.87(13) . . ?
N1 Ru1 C18 172.34(12) . . ?
N1 Ru1 C21 95.31(12) . . ?
N1 Ru1 C22 113.04(12) . . ?
N1 Ru1 C20 103.75(12) . . ?
N1 Ru1 C17 144.81(13) . . ?
C19 Ru1 Cl1 135.77(10) . . ?
C19 Ru1 C18 37.98(14) . . ?
C19 Ru1 C21 67.08(13) . . ?
C19 Ru1 C22 77.71(14) . . ?
C19 Ru1 C20 37.95(13) . . ?
C19 Ru1 C17 67.23(14) . . ?
C18 Ru1 Cl1 101.72(10) . . ?
C18 Ru1 C21 79.13(14) . . ?
C18 Ru1 C22 65.32(14) . . ?
C18 Ru1 C20 68.64(13) . . ?
C18 Ru1 C17 36.95(15) . . ?
C21 Ru1 Cl1 136.94(9) . . ?
C21 Ru1 C22 36.36(12) . . ?
C21 Ru1 C20 37.46(13) . . ?
C21 Ru1 C17 66.13(14) . . ?
C1 Ru1 Cl1 85.97(9) . . ?
C1 Ru1 N1 77.29(12) . . ?
C1 Ru1 C19 87.82(14) . . ?
C1 Ru1 C18 103.03(15) . . ?
C1 Ru1 C21 136.38(13) . . ?
C1 Ru1 C22 165.53(13) . . ?
C1 Ru1 C20 101.90(13) . . ?
C1 Ru1 C17 136.96(14) . . ?
C22 Ru1 Cl1 104.35(9) . . ?
C20 Ru1 Cl1 168.58(10) . . ?
C20 Ru1 C22 66.49(13) . . ?
C20 Ru1 C17 79.98(13) . . ?
C17 Ru1 Cl1 88.62(10) . . ?
C17 Ru1 C22 35.78(13) . . ?
C32 N2 Ru2 115.1(2) . . ?
C32 N2 C36 119.2(3) . . ?
C36 N2 Ru2 125.6(2) . . ?
C7 N1 Ru1 116.4(2) . . ?
C7 N1 C11 118.1(3) . . ?
C11 N1 Ru1 125.4(2) . . ?
C26 C31 C32 114.7(3) . . ?
C30 C31 C32 123.5(3) . . ?
C30 C31 C26 121.8(3) . . ?
Ru2 C47 H47 119.1 . . ?
C46 C47 Ru2 71.26(18) . . ?
C46 C47 H47 119.1 . . ?
C46 C47 C42 121.3(3) . . ?
C42 C47 Ru2 75.55(19) . . ?
C42 C47 H47 119.1 . . ?
C15 C10 C11 119.2(3) . . ?
C9 C10 C11 118.0(3) . . ?
C9 C10 C15 122.6(3) . . ?
N1 C7 C8 122.8(3) . . ?
N1 C7 C6 114.1(3) . . ?
C8 C7 C6 123.1(3) . . ?
Ru2 C46 H46 118.8 . . ?
C47 C46 Ru2 71.43(18) . . ?
C47 C46 H46 118.8 . . ?
C47 C46 C45 120.9(3) . . ?
C45 C46 Ru2 70.86(17) . . ?
C45 C46 H46 118.8 . . ?
N2 C32 C31 114.3(3) . . ?
N2 C32 C33 121.7(3) . . ?
C33 C32 C31 123.8(3) . . ?
C31 C26 Ru2 114.6(2) . . ?
C27 C26 Ru2 127.0(2) . . ?
C27 C26 C31 118.0(3) . . ?
Ru2 C44 H44 119.3 . . ?
C45 C44 Ru2 71.77(18) . . ?
C45 C44 H44 119.3 . . ?
C45 C44 C43 121.2(3) . . ?
C43 C44 Ru2 75.62(19) . . ?
C43 C44 H44 119.3 . . ?
C46 C45 Ru2 70.95(17) . . ?
C46 C45 C48 118.9(3) . . ?
C44 C45 Ru2 70.52(18) . . ?
C44 C45 C46 117.1(3) . . ?
C44 C45 C48 124.1(3) . . ?
C48 C45 Ru2 129.4(2) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.5(3) . . ?
C9 C8 H8 120.3 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 119.9(3) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 C31 119.4(3) . . ?
C29 C30 H30 120.3 . . ?
C26 C27 H27 119.9 . . ?
C26 C27 C28 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C1 C2 C3 122.1(3) . . ?
C34 C35 C36 118.6(3) . . ?
C34 C35 C40 121.9(3) . . ?
C40 C35 C36 119.5(3) . . ?
C47 C42 Ru2 67.20(18) . . ?
C47 C42 C41 119.8(3) . . ?
C43 C42 Ru2 71.9(2) . . ?
C43 C42 C47 117.5(3) . . ?
C43 C42 C41 122.5(3) . . ?
C41 C42 Ru2 128.1(2) . . ?
N1 C11 C10 121.4(3) . . ?
N1 C11 C12 120.5(3) . . ?
C10 C11 C12 118.1(3) . . ?
N2 C36 C35 120.8(3) . . ?
N2 C36 C37 120.6(3) . . ?
C37 C36 C35 118.5(3) . . ?
C45 C48 H48 107.6 . . ?
C45 C48 C50 113.9(3) . . ?
C45 C48 C49 109.2(3) . . ?
C50 C48 H48 107.6 . . ?
C50 C48 C49 110.8(3) . . ?
C49 C48 H48 107.6 . . ?
C5 C6 C7 122.6(3) . . ?
C1 C6 C7 115.7(3) . . ?
C1 C6 C5 121.6(3) . . ?
Ru1 C19 H19 118.6 . . ?
C18 C19 Ru1 72.3(2) . . ?
C18 C19 H19 118.6 . . ?
C18 C19 C20 121.9(3) . . ?
C20 C19 Ru1 72.81(19) . . ?
C20 C19 H19 118.6 . . ?
C5 C4 H4 120.6 . . ?
C5 C4 C3 118.8(4) . . ?
C3 C4 H4 120.6 . . ?
C15 C14 H14 120.1 . . ?
C15 C14 C13 119.7(3) . . ?
C13 C14 H14 120.1 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 119.9(3) . . ?
C13 C12 H12 120.0 . . ?
C33 C34 C35 119.5(3) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
Ru1 C18 H18 119.7 . . ?
C19 C18 Ru1 69.7(2) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 Ru1 74.4(2) . . ?
C17 C18 C19 120.0(3) . . ?
C17 C18 H18 119.7 . . ?
Ru1 C21 H21 118.5 . . ?
C22 C21 Ru1 76.3(2) . . ?
C22 C21 H21 118.5 . . ?
C20 C21 Ru1 71.3(2) . . ?
C20 C21 H21 118.5 . . ?
C20 C21 C22 122.5(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.7(3) . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 119.7(3) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C2 C3 C4 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.2(3) . . ?
C38 C37 H37 119.9 . . ?
C10 C15 H15 119.4 . . ?
C14 C15 C10 121.2(3) . . ?
C14 C15 H15 119.4 . . ?
C2 C1 Ru1 126.4(3) . . ?
C6 C1 Ru1 116.0(3) . . ?
C6 C1 C2 117.6(3) . . ?
Ru1 C22 H22 118.8 . . ?
C21 C22 Ru1 67.4(2) . . ?
C21 C22 H22 118.8 . . ?
C17 C22 Ru1 70.0(2) . . ?
C17 C22 C21 119.4(4) . . ?
C17 C22 H22 118.8 . . ?
C19 C20 Ru1 69.24(19) . . ?
C19 C20 C23 121.4(3) . . ?
C21 C20 Ru1 71.2(2) . . ?
C21 C20 C19 116.5(3) . . ?
C21 C20 C23 122.1(3) . . ?
C23 C20 Ru1 131.6(3) . . ?
C18 C17 Ru1 68.7(2) . . ?
C18 C17 C16 120.7(4) . . ?
C22 C17 Ru1 74.2(2) . . ?
C22 C17 C18 119.3(3) . . ?
C22 C17 C16 120.0(4) . . ?
C16 C17 Ru1 128.7(3) . . ?
C37 C38 H38 119.4 . . ?
C37 C38 C39 121.2(4) . . ?
C39 C38 H38 119.4 . . ?
Ru2 C43 H43 118.0 . . ?
C44 C43 Ru2 66.94(18) . . ?
C44 C43 H43 118.0 . . ?
C42 C43 Ru2 73.2(2) . . ?
C42 C43 C44 121.5(3) . . ?
C42 C43 H43 118.0 . . ?
C14 C13 H13 119.1 . . ?
C12 C13 C14 121.8(4) . . ?
C12 C13 H13 119.1 . . ?
C35 C40 H40 119.7 . . ?
C39 C40 C35 120.6(3) . . ?
C39 C40 H40 119.7 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C39 H39 120.1 . . ?
C40 C39 C38 119.8(3) . . ?
C40 C39 H39 120.1 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C10 C9 H9 120.2 . . ?
C8 C9 C10 119.5(3) . . ?
C8 C9 H9 120.2 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C20 C23 H23 108.0 . . ?
C20 C23 C25 109.2(3) . . ?
C20 C23 C24 113.1(3) . . ?
C25 C23 H23 108.0 . . ?
C24 C23 H23 108.0 . . ?
C24 C23 C25 110.4(3) . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
Ru2 N2 C32 C31 11.7(3) . . . . ?
Ru2 N2 C32 C33 -173.4(2) . . . . ?
Ru2 N2 C36 C35 173.9(2) . . . . ?
Ru2 N2 C36 C37 -9.5(4) . . . . ?
Ru2 C47 C46 C45 52.8(3) . . . . ?
Ru2 C47 C42 C43 -53.2(3) . . . . ?
Ru2 C47 C42 C41 122.0(3) . . . . ?
Ru2 C46 C45 C44 55.1(3) . . . . ?
Ru2 C46 C45 C48 -125.2(3) . . . . ?
Ru2 C26 C27 C28 -168.0(2) . . . . ?
Ru2 C44 C45 C46 -55.3(3) . . . . ?
Ru2 C44 C45 C48 125.0(3) . . . . ?
Ru2 C44 C43 C42 50.9(3) . . . . ?
Ru2 C45 C48 C50 69.1(4) . . . . ?
Ru2 C45 C48 C49 -166.4(2) . . . . ?
Ru2 C42 C43 C44 -48.3(3) . . . . ?
Ru1 N1 C7 C8 171.8(2) . . . . ?
Ru1 N1 C7 C6 -7.3(4) . . . . ?
Ru1 N1 C11 C10 -167.7(2) . . . . ?
Ru1 N1 C11 C12 15.2(4) . . . . ?
Ru1 C19 C18 C17 57.0(3) . . . . ?
Ru1 C19 C20 C21 -55.0(3) . . . . ?
Ru1 C19 C20 C23 126.9(3) . . . . ?
Ru1 C18 C17 C22 56.3(3) . . . . ?
Ru1 C18 C17 C16 -123.3(3) . . . . ?
Ru1 C21 C22 C17 -48.7(3) . . . . ?
Ru1 C21 C20 C19 54.0(3) . . . . ?
Ru1 C21 C20 C23 -128.0(3) . . . . ?
Ru1 C22 C17 C18 -53.7(3) . . . . ?
Ru1 C22 C17 C16 125.9(4) . . . . ?
Ru1 C20 C23 C25 -170.5(3) . . . . ?
Ru1 C20 C23 C24 -47.1(5) . . . . ?
N2 C32 C33 C34 -2.7(5) . . . . ?
N2 C36 C37 C38 -179.5(3) . . . . ?
N1 C7 C8 C9 -1.9(5) . . . . ?
N1 C7 C6 C5 -172.5(3) . . . . ?
N1 C7 C6 C1 4.7(4) . . . . ?
N1 C11 C12 C13 179.1(3) . . . . ?
C31 C32 C33 C34 171.8(3) . . . . ?
C31 C26 C27 C28 4.2(5) . . . . ?
C31 C30 C29 C28 2.6(5) . . . . ?
C47 C46 C45 Ru2 -53.1(3) . . . . ?
C47 C46 C45 C44 2.0(5) . . . . ?
C47 C46 C45 C48 -178.3(3) . . . . ?
C47 C42 C43 Ru2 50.9(3) . . . . ?
C47 C42 C43 C44 2.7(5) . . . . ?
C10 C11 C12 C13 1.9(5) . . . . ?
C7 N1 C11 C10 9.1(5) . . . . ?
C7 N1 C11 C12 -168.1(3) . . . . ?
C7 C8 C9 C10 5.2(5) . . . . ?
C7 C6 C1 Ru1 0.3(4) . . . . ?
C7 C6 C1 C2 -177.9(3) . . . . ?
C46 C47 C42 Ru2 57.0(3) . . . . ?
C46 C47 C42 C43 3.7(5) . . . . ?
C46 C47 C42 C41 179.0(3) . . . . ?
C46 C45 C48 C50 157.4(3) . . . . ?
C46 C45 C48 C49 -78.1(4) . . . . ?
C32 N2 C36 C35 -4.3(4) . . . . ?
C32 N2 C36 C37 172.4(3) . . . . ?
C32 C31 C26 Ru2 -15.9(3) . . . . ?
C32 C31 C26 C27 170.9(3) . . . . ?
C32 C31 C30 C29 -174.0(3) . . . . ?
C32 C33 C34 C35 -0.3(5) . . . . ?
C26 C31 C32 N2 2.5(4) . . . . ?
C26 C31 C32 C33 -172.3(3) . . . . ?
C26 C31 C30 C29 2.5(5) . . . . ?
C26 C27 C28 C29 0.6(5) . . . . ?
C44 C45 C48 C50 -22.9(5) . . . . ?
C44 C45 C48 C49 101.6(4) . . . . ?
C45 C44 C43 Ru2 -57.8(3) . . . . ?
C45 C44 C43 C42 -6.9(5) . . . . ?
C8 C7 C6 C5 8.4(5) . . . . ?
C8 C7 C6 C1 -174.4(3) . . . . ?
C5 C6 C1 Ru1 177.5(2) . . . . ?
C5 C6 C1 C2 -0.7(5) . . . . ?
C5 C4 C3 C2 -1.0(5) . . . . ?
C30 C31 C32 N2 179.1(3) . . . . ?
C30 C31 C32 C33 4.3(5) . . . . ?
C30 C31 C26 Ru2 167.4(2) . . . . ?
C30 C31 C26 C27 -5.8(5) . . . . ?
C27 C28 C29 C30 -4.1(5) . . . . ?
C35 C36 C37 C38 -2.8(5) . . . . ?
C35 C40 C39 C38 -1.8(5) . . . . ?
C42 C47 C46 Ru2 -59.0(3) . . . . ?
C42 C47 C46 C45 -6.2(5) . . . . ?
C11 N1 C7 C8 -5.3(5) . . . . ?
C11 N1 C7 C6 175.7(3) . . . . ?
C11 C10 C15 C14 2.3(5) . . . . ?
C11 C10 C9 C8 -1.4(5) . . . . ?
C11 C12 C13 C14 1.3(5) . . . . ?
C36 N2 C32 C31 -170.0(3) . . . . ?
C36 N2 C32 C33 4.9(5) . . . . ?
C36 C35 C34 C33 0.9(5) . . . . ?
C36 C35 C40 C39 -1.3(5) . . . . ?
C36 C37 C38 C39 -0.2(5) . . . . ?
C6 C7 C8 C9 177.1(3) . . . . ?
C6 C5 C4 C3 1.2(5) . . . . ?
C19 C18 C17 Ru1 -54.8(3) . . . . ?
C19 C18 C17 C22 1.6(5) . . . . ?
C19 C18 C17 C16 -178.1(3) . . . . ?
C19 C20 C23 C25 100.3(4) . . . . ?
C19 C20 C23 C24 -136.3(4) . . . . ?
C4 C5 C6 C7 176.6(3) . . . . ?
C4 C5 C6 C1 -0.4(5) . . . . ?
C34 C35 C36 N2 1.3(5) . . . . ?
C34 C35 C36 C37 -175.3(3) . . . . ?
C34 C35 C40 C39 177.6(3) . . . . ?
C18 C19 C20 Ru1 55.4(3) . . . . ?
C18 C19 C20 C21 0.4(5) . . . . ?
C18 C19 C20 C23 -177.7(3) . . . . ?
C21 C22 C17 Ru1 47.5(3) . . . . ?
C21 C22 C17 C18 -6.1(5) . . . . ?
C21 C22 C17 C16 173.5(3) . . . . ?
C21 C20 C23 C25 -77.6(4) . . . . ?
C21 C20 C23 C24 45.8(5) . . . . ?
C3 C2 C1 Ru1 -177.0(3) . . . . ?
C3 C2 C1 C6 1.0(5) . . . . ?
C37 C38 C39 C40 2.5(5) . . . . ?
C15 C10 C11 N1 179.1(3) . . . . ?
C15 C10 C11 C12 -3.6(5) . . . . ?
C15 C10 C9 C8 173.4(3) . . . . ?
C15 C14 C13 C12 -2.7(6) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
C22 C21 C20 Ru1 -59.2(3) . . . . ?
C22 C21 C20 C19 -5.1(5) . . . . ?
C22 C21 C20 C23 172.9(3) . . . . ?
C20 C19 C18 Ru1 -55.6(3) . . . . ?
C20 C19 C18 C17 1.4(5) . . . . ?
C20 C21 C22 Ru1 56.9(3) . . . . ?
C20 C21 C22 C17 8.2(5) . . . . ?
C43 C44 C45 Ru2 59.7(3) . . . . ?
C43 C44 C45 C46 4.4(5) . . . . ?
C43 C44 C45 C48 -175.3(3) . . . . ?
C13 C14 C15 C10 0.9(5) . . . . ?
C40 C35 C36 N2 -179.7(3) . . . . ?
C40 C35 C36 C37 3.6(5) . . . . ?
C40 C35 C34 C33 -178.0(3) . . . . ?
C41 C42 C43 Ru2 -124.2(3) . . . . ?
C41 C42 C43 C44 -172.4(3) . . . . ?
C9 C10 C11 N1 -5.8(5) . . . . ?
C9 C10 C11 C12 171.5(3) . . . . ?
C9 C10 C15 C14 -172.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
