# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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data_rul7
_database_code_depnum_ccdc_archive 'CCDC 2331162'
loop_
_audit_author_name
_audit_author_address
'SANJEEV KUSHWAHA'
;INDIAN INSTITUTE OF TECHNOLOGY INDORE
India
;
_audit_update_record             
;
2025-01-30 deposited with the CCDC.	2025-06-21 downloaded from the CCDC.
;
_audit_creation_date             2025-01-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            C17H27ClN3Ru
_chemical_name_systematic        C17H27ClN3Ru
_chemical_formula_moiety         'C17 H27 Cl N3 Ru, Cl'
_chemical_formula_sum            'C17 H27 Cl2 N3 Ru'
_chemical_formula_weight         445.38
_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'

_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                   8.4626(4)
_cell_length_b                   8.6713(4)
_cell_length_c                   13.9310(7)
_cell_angle_alpha                95.5660(10)
_cell_angle_beta                 102.4130(10)
_cell_angle_gamma                92.5630(10)
_cell_volume                     991.41(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14141
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      29.0828
_cell_measurement_theta_min      3.0971
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  298
_exptl_absorpt_correction_T_min  273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   dark
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16927
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.278
_diffrn_reflns_theta_min         2.594
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Mo at home/near Eos'
_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                4629
_reflns_number_total             4915
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.069
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     213
_refine_ls_number_reflns         4915
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0227
_refine_ls_restrained_S_all      1.036
_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)+(0.0134P)²+1.3092P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0546
_refine_ls_wR_factor_ref         0.0555
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 N2(H2), C8(H8), C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 N3(H3), C3(H3A), C4(H4), C6(H6), C7(H7), C11(H11), C12(H12)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.49560(2) 0.47653(2) 0.75136(2) 0.01031(5) Uani 1 1 d . . . . .
Cl1 Cl 0.38286(6) 0.62409(6) 0.87391(3) 0.02208(10) Uani 1 1 d . . . . .
N1 N 0.36587(18) 0.61673(17) 0.65420(11) 0.0126(3) Uani 1 1 d . . . . .
N2 N 0.25663(18) 0.35193(18) 0.69710(11) 0.0141(3) Uani 1 1 d . . . . .
H2 H 0.261190 0.305136 0.630911 0.017 Uiso 1 1 calc R U . . .
N3 N 0.13551(19) 0.70817(19) 0.58714(12) 0.0168(3) Uani 1 1 d . . . . .
H3 H 0.032984 0.717492 0.568813 0.020 Uiso 1 1 calc R U . . .
C1 C 0.5649(2) 0.1208(2) 0.65205(16) 0.0211(4) Uani 1 1 d . . . . .
H1A H 0.502614 0.062648 0.688003 0.032 Uiso 1 1 calc R U . . .
H1B H 0.655038 0.063617 0.640935 0.032 Uiso 1 1 calc R U . . .
H1C H 0.497675 0.138058 0.589668 0.032 Uiso 1 1 calc R U . . .
C2 C 0.6262(2) 0.2737(2) 0.71060(14) 0.0148(3) Uani 1 1 d . . . . .
C3 C 0.6682(2) 0.4019(2) 0.66377(13) 0.0130(3) Uani 1 1 d . . . . .
H3A H 0.657448 0.391550 0.595553 0.016 Uiso 1 1 calc R U . . .
C4 C 0.7270(2) 0.5471(2) 0.72022(13) 0.0128(3) Uani 1 1 d . . . . .
H4 H 0.754603 0.630130 0.688107 0.015 Uiso 1 1 calc R U . . .
C5 C 0.7442(2) 0.5674(2) 0.82361(13) 0.0129(3) Uani 1 1 d . . . . .
C6 C 0.6979(2) 0.4375(2) 0.87027(13) 0.0151(4) Uani 1 1 d . . . . .
H6 H 0.705257 0.448750 0.938186 0.018 Uiso 1 1 calc R U . . .
C7 C 0.6419(2) 0.2936(2) 0.81552(14) 0.0171(4) Uani 1 1 d . . . . .
H7 H 0.614620 0.210561 0.847662 0.020 Uiso 1 1 calc R U . . .
C8 C 0.8034(2) 0.7212(2) 0.88520(14) 0.0170(4) Uani 1 1 d . . . . .
H8 H 0.747220 0.730229 0.939895 0.020 Uiso 1 1 calc R U . . .
C9 C 0.9849(3) 0.7183(3) 0.9302(2) 0.0449(8) Uani 1 1 d . . . . .
H9A H 1.003893 0.627966 0.964702 0.067 Uiso 1 1 calc R U . . .
H9B H 1.020660 0.809948 0.975578 0.067 Uiso 1 1 calc R U . . .
H9C H 1.044013 0.715156 0.878496 0.067 Uiso 1 1 calc R U . . .
C10 C 0.7672(4) 0.8616(3) 0.82852(17) 0.0342(6) Uani 1 1 d . . . . .
H10A H 0.822366 0.857044 0.774983 0.051 Uiso 1 1 calc R U . . .
H10B H 0.803845 0.954907 0.872159 0.051 Uiso 1 1 calc R U . . .
H10C H 0.652467 0.861399 0.802655 0.051 Uiso 1 1 calc R U . . .
C11 C 0.4000(2) 0.7469(2) 0.61003(13) 0.0147(3) Uani 1 1 d . . . . .
H11 H 0.502900 0.787791 0.608735 0.018 Uiso 1 1 calc R U . . .
C12 C 0.2571(2) 0.8050(2) 0.56879(14) 0.0165(4) Uani 1 1 d . . . . .
H12 H 0.244013 0.892536 0.534973 0.020 Uiso 1 1 calc R U . . .
C13 C 0.2055(2) 0.5972(2) 0.63851(13) 0.0136(3) Uani 1 1 d . . . . .
C14 C 0.1296(2) 0.4654(2) 0.67724(14) 0.0167(4) Uani 1 1 d . . . . .
H14A H 0.035526 0.418396 0.628874 0.020 Uiso 1 1 calc R U . . .
H14B H 0.095905 0.500618 0.737514 0.020 Uiso 1 1 calc R U . . .
C15 C 0.2064(2) 0.2164(2) 0.74620(14) 0.0187(4) Uani 1 1 d . . . . .
H15 H 0.291770 0.143247 0.748402 0.022 Uiso 1 1 calc R U . . .
C16 C 0.1945(3) 0.2616(3) 0.85224(16) 0.0376(6) Uani 1 1 d . . . . .
H16A H 0.295210 0.313384 0.888738 0.056 Uiso 1 1 calc R U . . .
H16B H 0.172229 0.169970 0.881933 0.056 Uiso 1 1 calc R U . . .
H16C H 0.108614 0.329979 0.853155 0.056 Uiso 1 1 calc R U . . .
C17 C 0.0500(2) 0.1304(2) 0.68577(15) 0.0213(4) Uani 1 1 d . . . . .
H17A H -0.039921 0.192105 0.690648 0.032 Uiso 1 1 calc R U . . .
H17B H 0.034450 0.032910 0.710819 0.032 Uiso 1 1 calc R U . . .
H17C H 0.057159 0.112235 0.617797 0.032 Uiso 1 1 calc R U . . .
Cl2 Cl 0.22151(5) 0.21763(5) 0.46740(3) 0.01624(9) 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 Cl1 2.4182(5) . ?
Ru1 N1 2.0773(15) . ?
Ru1 N2 2.1949(15) . ?
Ru1 C2 2.2107(18) . ?
Ru1 C3 2.1771(17) . ?
Ru1 C4 2.1699(18) . ?
Ru1 C5 2.2017(18) . ?
Ru1 C6 2.1754(18) . ?
Ru1 C7 2.1956(18) . ?
N1 C11 1.385(2) . ?
N1 C13 1.328(2) . ?
N2 H2 0.9800 . ?
N2 C14 1.490(2) . ?
N2 C15 1.506(2) . ?
N3 H3 0.8600 . ?
N3 C12 1.380(2) . ?
N3 C13 1.338(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.497(3) . ?
C2 C3 1.411(3) . ?
C2 C7 1.432(3) . ?
C3 H3A 0.9300 . ?
C3 C4 1.427(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.409(2) . ?
C5 C6 1.434(3) . ?
C5 C8 1.517(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.403(3) . ?
C7 H7 0.9300 . ?
C8 H8 0.9800 . ?
C8 C9 1.532(3) . ?
C8 C10 1.521(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11 0.9300 . ?
C11 C12 1.363(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.488(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15 0.9800 . ?
C15 C16 1.517(3) . ?
C15 C17 1.525(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 Cl1 84.30(4) . . ?
N1 Ru1 N2 75.16(6) . . ?
N1 Ru1 C2 126.10(6) . . ?
N1 Ru1 C3 98.32(6) . . ?
N1 Ru1 C4 93.77(6) . . ?
N1 Ru1 C5 115.32(6) . . ?
N1 Ru1 C6 152.12(7) . . ?
N1 Ru1 C7 164.00(7) . . ?
N2 Ru1 Cl1 87.99(4) . . ?
N2 Ru1 C2 93.16(6) . . ?
N2 Ru1 C5 169.48(6) . . ?
N2 Ru1 C7 101.76(7) . . ?
C2 Ru1 Cl1 148.81(5) . . ?
C3 Ru1 Cl1 159.91(5) . . ?
C3 Ru1 N2 111.98(6) . . ?
C3 Ru1 C2 37.51(7) . . ?
C3 Ru1 C5 68.76(7) . . ?
C3 Ru1 C7 67.93(7) . . ?
C4 Ru1 Cl1 121.83(5) . . ?
C4 Ru1 N2 147.46(6) . . ?
C4 Ru1 C2 68.46(7) . . ?
C4 Ru1 C3 38.33(7) . . ?
C4 Ru1 C5 37.60(6) . . ?
C4 Ru1 C6 68.11(7) . . ?
C4 Ru1 C7 80.45(7) . . ?
C5 Ru1 Cl1 92.03(5) . . ?
C5 Ru1 C2 81.39(7) . . ?
C6 Ru1 Cl1 87.71(5) . . ?
C6 Ru1 N2 131.28(6) . . ?
C6 Ru1 C2 68.29(7) . . ?
C6 Ru1 C3 80.72(7) . . ?
C6 Ru1 C5 38.25(7) . . ?
C6 Ru1 C7 37.45(7) . . ?
C7 Ru1 Cl1 111.46(5) . . ?
C7 Ru1 C2 37.91(7) . . ?
C7 Ru1 C5 68.46(7) . . ?
C11 N1 Ru1 136.52(12) . . ?
C13 N1 Ru1 115.85(12) . . ?
C13 N1 C11 106.74(15) . . ?
Ru1 N2 H2 103.5 . . ?
C14 N2 Ru1 109.76(11) . . ?
C14 N2 H2 103.5 . . ?
C14 N2 C15 113.39(15) . . ?
C15 N2 Ru1 120.95(11) . . ?
C15 N2 H2 103.5 . . ?
C12 N3 H3 126.1 . . ?
C13 N3 H3 126.1 . . ?
C13 N3 C12 107.88(15) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 Ru1 130.85(13) . . ?
C3 C2 Ru1 69.95(10) . . ?
C3 C2 C1 120.92(17) . . ?
C3 C2 C7 118.49(17) . . ?
C7 C2 Ru1 70.47(11) . . ?
C7 C2 C1 120.58(17) . . ?
Ru1 C3 H3A 129.6 . . ?
C2 C3 Ru1 72.54(10) . . ?
C2 C3 H3A 119.7 . . ?
C2 C3 C4 120.54(16) . . ?
C4 C3 Ru1 70.56(10) . . ?
C4 C3 H3A 119.7 . . ?
Ru1 C4 H4 129.7 . . ?
C3 C4 Ru1 71.11(10) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 Ru1 72.43(10) . . ?
C5 C4 C3 121.35(16) . . ?
C5 C4 H4 119.3 . . ?
C4 C5 Ru1 69.98(10) . . ?
C4 C5 C6 117.69(16) . . ?
C4 C5 C8 122.48(16) . . ?
C6 C5 Ru1 69.88(10) . . ?
C6 C5 C8 119.79(16) . . ?
C8 C5 Ru1 129.71(12) . . ?
Ru1 C6 H6 129.2 . . ?
C5 C6 Ru1 71.87(10) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 Ru1 72.06(10) . . ?
C7 C6 C5 121.33(17) . . ?
C7 C6 H6 119.3 . . ?
Ru1 C7 H7 130.9 . . ?
C2 C7 Ru1 71.61(10) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 Ru1 70.49(11) . . ?
C6 C7 C2 120.57(17) . . ?
C6 C7 H7 119.7 . . ?
C5 C8 H8 107.5 . . ?
C5 C8 C9 108.91(16) . . ?
C5 C8 C10 113.66(16) . . ?
C9 C8 H8 107.5 . . ?
C10 C8 H8 107.5 . . ?
C10 C8 C9 111.5(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11 125.8 . . ?
C12 C11 N1 108.40(16) . . ?
C12 C11 H11 125.8 . . ?
N3 C12 H12 126.8 . . ?
C11 C12 N3 106.43(16) . . ?
C11 C12 H12 126.8 . . ?
N1 C13 N3 110.55(16) . . ?
N1 C13 C14 119.90(16) . . ?
N3 C13 C14 129.56(16) . . ?
N2 C14 H14A 110.6 . . ?
N2 C14 H14B 110.6 . . ?
C13 C14 N2 105.87(14) . . ?
C13 C14 H14A 110.6 . . ?
C13 C14 H14B 110.6 . . ?
H14A C14 H14B 108.7 . . ?
N2 C15 H15 106.8 . . ?
N2 C15 C16 112.86(17) . . ?
N2 C15 C17 111.72(15) . . ?
C16 C15 H15 106.8 . . ?
C16 C15 C17 111.35(17) . . ?
C17 C15 H15 106.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N1 C11 C12 -167.61(14) . . . . ?
Ru1 N1 C13 N3 170.74(12) . . . . ?
Ru1 N1 C13 C14 -9.0(2) . . . . ?
Ru1 N2 C14 C13 35.84(16) . . . . ?
Ru1 N2 C15 C16 63.8(2) . . . . ?
Ru1 N2 C15 C17 -169.83(13) . . . . ?
Ru1 C2 C3 C4 53.80(15) . . . . ?
Ru1 C2 C7 C6 -52.77(16) . . . . ?
Ru1 C3 C4 C5 54.40(15) . . . . ?
Ru1 C4 C5 C6 52.79(14) . . . . ?
Ru1 C4 C5 C8 -125.03(17) . . . . ?
Ru1 C5 C6 C7 54.63(16) . . . . ?
Ru1 C5 C8 C9 172.20(17) . . . . ?
Ru1 C5 C8 C10 -62.8(2) . . . . ?
Ru1 C6 C7 C2 53.28(16) . . . . ?
N1 C11 C12 N3 -0.7(2) . . . . ?
N1 C13 C14 N2 -19.0(2) . . . . ?
N3 C13 C14 N2 161.23(18) . . . . ?
C1 C2 C3 Ru1 126.38(17) . . . . ?
C1 C2 C3 C4 -179.83(17) . . . . ?
C1 C2 C7 Ru1 -126.62(17) . . . . ?
C1 C2 C7 C6 -179.40(17) . . . . ?
C2 C3 C4 Ru1 -54.71(15) . . . . ?
C2 C3 C4 C5 -0.3(3) . . . . ?
C3 C2 C7 Ru1 52.67(15) . . . . ?
C3 C2 C7 C6 -0.1(3) . . . . ?
C3 C4 C5 Ru1 -53.80(15) . . . . ?
C3 C4 C5 C6 -1.0(3) . . . . ?
C3 C4 C5 C8 -178.83(16) . . . . ?
C4 C5 C6 Ru1 -52.84(14) . . . . ?
C4 C5 C6 C7 1.8(3) . . . . ?
C4 C5 C8 C9 -97.7(2) . . . . ?
C4 C5 C8 C10 27.3(3) . . . . ?
C5 C6 C7 Ru1 -54.55(16) . . . . ?
C5 C6 C7 C2 -1.3(3) . . . . ?
C6 C5 C8 C9 84.5(2) . . . . ?
C6 C5 C8 C10 -150.53(19) . . . . ?
C7 C2 C3 Ru1 -52.92(15) . . . . ?
C7 C2 C3 C4 0.9(3) . . . . ?
C8 C5 C6 Ru1 125.05(16) . . . . ?
C8 C5 C6 C7 179.68(17) . . . . ?
C11 N1 C13 N3 -0.3(2) . . . . ?
C11 N1 C13 C14 179.97(16) . . . . ?
C12 N3 C13 N1 -0.2(2) . . . . ?
C12 N3 C13 C14 179.58(18) . . . . ?
C13 N1 C11 C12 0.6(2) . . . . ?
C13 N3 C12 C11 0.5(2) . . . . ?
C14 N2 C15 C16 -69.8(2) . . . . ?
C14 N2 C15 C17 56.6(2) . . . . ?
C15 N2 C14 C13 174.50(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 0.000 1.000 77.8 17.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
