# Supplementary Information (SI) for ChemComm.
# 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. 
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data_platon_pl
_database_code_depnum_ccdc_archive 'CCDC 2424482'
loop_
_audit_author_name
_audit_author_address
'Sanjay Pratihar'
;CSIR CSMCRI Bhavnagar
India
;
_audit_update_record             
;
2025-02-17 deposited with the CCDC.	2025-07-18 downloaded from the CCDC.
;
_audit_creation_date             2022-07-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H38 Cl2 N2 O Ru, C H4 O'
_chemical_formula_sum            'C32 H42 Cl2 N2 O2 Ru'
_chemical_formula_weight         658.64
_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   17.203(3)
_cell_length_b                   22.147(3)
_cell_length_c                   18.0772(19)
_cell_angle_alpha                90
_cell_angle_beta                 114.387(10)
_cell_angle_gamma                90
_cell_volume                     6272.8(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8478
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   0.966
_shelx_estimated_absorpt_T_min   0.884
_exptl_absorpt_coefficient_mu    0.701
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1168 before and 0.1014 after correction. The Ratio of minimum to maximum transmission is 0.7934. 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    1.395
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2736
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1398
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            80526
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.297
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4182
_reflns_number_total             5527
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.209
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         5527
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.174
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0543P)²+3.8661P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1224
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Others
 Sof(Cl1B)=Sof(H20)=1-FVAR(1)
 Sof(Cl1A)=Sof(H18)=FVAR(1)
3.a Riding coordinates:
 N2(H2), O3(H3A)
3.b Ternary CH refined with riding coordinates:
 C26(H26)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24),
 C29(H29), C30(H30)
3.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.38615(2) 0.45940(2) 0.20868(2) 0.03602(13) Uani 1 1 d . . . . .
Cl1A Cl 0.31732(15) 0.22844(8) 0.36347(14) 0.0707(7) Uani 0.648(3) 1 d . . P A
2
Cl2 Cl 0.50952(7) 0.39515(5) 0.25908(7) 0.0512(3) Uani 1 1 d . . . . .
Cl1B Cl 0.3232(3) 0.25486(16) 0.5054(3) 0.0813(16) Uani 0.352(3) 1 d . . P A 1
O2 O 0.47039(18) 0.53012(12) 0.26431(17) 0.0414(7) Uani 1 1 d . . . . .
N1 N 0.3882(2) 0.45161(13) 0.3239(2) 0.0370(8) Uani 1 1 d . . . . .
N2 N 0.3947(2) 0.47794(16) 0.4444(2) 0.0430(8) Uani 1 1 d . . . . .
H2 H 0.401501 0.499858 0.485906 0.052 Uiso 1 1 d R . . . .
C2 C 0.4161(3) 0.55947(17) 0.3615(2) 0.0371(9) Uani 1 1 d . . . . .
C3 C 0.3954(3) 0.60471(19) 0.4038(3) 0.0441(10) Uani 1 1 d . . . . .
H3 H 0.372598 0.594054 0.440532 0.053 Uiso 1 1 calc R . . . .
C4 C 0.4079(3) 0.66528(19) 0.3924(3) 0.0458(10) Uani 1 1 d . . . . .
C5 C 0.4452(3) 0.67805(18) 0.3391(3) 0.0496(11) Uani 1 1 d . . . . .
H5 H 0.455134 0.718383 0.331625 0.060 Uiso 1 1 calc R . . . .
C6 C 0.4687(3) 0.63516(18) 0.2962(3) 0.0459(10) Uani 1 1 d . . . . .
C7 C 0.5150(3) 0.6543(2) 0.2427(3) 0.0578(13) Uani 1 1 d . . . . .
C8 C 0.5260(5) 0.7237(2) 0.2430(5) 0.100(2) Uani 1 1 d . . . . .
H8A H 0.471295 0.742798 0.226639 0.151 Uiso 1 1 calc GR . . . .
H8B H 0.550587 0.734505 0.205890 0.151 Uiso 1 1 calc GR . . . .
H8C H 0.562897 0.736823 0.296742 0.151 Uiso 1 1 calc GR . . . .
C9 C 0.6026(4) 0.6249(3) 0.2747(4) 0.0776(17) Uani 1 1 d . . . . .
H9A H 0.635857 0.638464 0.329179 0.116 Uiso 1 1 calc GR . . . .
H9B H 0.630949 0.635913 0.240691 0.116 Uiso 1 1 calc GR . . . .
H9C H 0.596451 0.581837 0.274437 0.116 Uiso 1 1 calc GR . . . .
C10 C 0.4634(4) 0.6349(3) 0.1545(3) 0.0779(17) Uani 1 1 d . . . . .
H10A H 0.459190 0.591676 0.151749 0.117 Uiso 1 1 calc GR . . . .
H10B H 0.491469 0.648781 0.121500 0.117 Uiso 1 1 calc GR . . . .
H10C H 0.407233 0.652094 0.135023 0.117 Uiso 1 1 calc GR . . . .
C11 C 0.4514(2) 0.57348(17) 0.3053(2) 0.0377(9) Uani 1 1 d . . . . .
C12 C 0.3779(3) 0.7152(2) 0.4339(3) 0.0560(12) Uani 1 1 d . . . . .
C13 C 0.2859(4) 0.7284(3) 0.3820(5) 0.113(3) Uani 1 1 d . . . . .
H13A H 0.252738 0.692413 0.376090 0.170 Uiso 1 1 calc GR . . . .
H13B H 0.279971 0.741950 0.329518 0.170 Uiso 1 1 calc GR . . . .
H13C H 0.266046 0.759299 0.407252 0.170 Uiso 1 1 calc GR . . . .
C14 C 0.4297(4) 0.7728(3) 0.4440(4) 0.092(2) Uani 1 1 d . . . . .
H14A H 0.417268 0.790033 0.391585 0.138 Uiso 1 1 calc GR . . . .
H14B H 0.489415 0.763606 0.470550 0.138 Uiso 1 1 calc GR . . . .
H14C H 0.414877 0.801210 0.476253 0.138 Uiso 1 1 calc GR . . . .
C15 C 0.3884(5) 0.6957(3) 0.5178(4) 0.106(3) Uani 1 1 d . . . . .
H15A H 0.373460 0.728597 0.544030 0.159 Uiso 1 1 calc GR . . . .
H15B H 0.446616 0.684257 0.549338 0.159 Uiso 1 1 calc GR . . . .
H15C H 0.351672 0.661942 0.513210 0.159 Uiso 1 1 calc GR . . . .
C16 C 0.3762(3) 0.41754(19) 0.4362(3) 0.0440(10) Uani 1 1 d . . . . .
C17 C 0.3632(3) 0.3764(2) 0.4885(3) 0.0578(12) Uani 1 1 d . . . . .
H17 H 0.366490 0.387807 0.539255 0.069 Uiso 1 1 calc R . . . .
C18 C 0.3453(3) 0.3185(2) 0.4610(4) 0.0666(15) Uani 1 1 d . . . . .
H18 H 0.335738 0.289716 0.493796 0.080 Uiso 0.648(3) 1 calc R . P A 2
C20 C 0.3408(3) 0.3012(2) 0.3862(4) 0.0622(14) Uani 1 1 d . . . . .
H20 H 0.327419 0.261266 0.369923 0.075 Uiso 0.352(3) 1 calc R . P A 1
C21 C 0.3556(3) 0.34118(19) 0.3343(3) 0.0488(11) Uani 1 1 d . . . . .
H21 H 0.354075 0.329035 0.284441 0.059 Uiso 1 1 calc R . . . .
C22 C 0.3727(3) 0.40026(18) 0.3612(3) 0.0401(9) Uani 1 1 d . . . . .
C23 C 0.3520(3) 0.4868(2) 0.0823(3) 0.0501(11) Uani 1 1 d . . . . .
H23 H 0.383460 0.507819 0.059452 0.060 Uiso 1 1 calc R . . . .
C24 C 0.3017(3) 0.5192(2) 0.1153(3) 0.0485(11) Uani 1 1 d . . . . .
H24 H 0.301659 0.561201 0.114067 0.058 Uiso 1 1 calc R . . . .
C25 C 0.2524(3) 0.4893(2) 0.1494(3) 0.0435(10) Uani 1 1 d . . . . .
C26 C 0.1962(3) 0.5215(2) 0.1834(3) 0.0586(13) Uani 1 1 d . . . . .
H26 H 0.209102 0.504370 0.237258 0.070 Uiso 1 1 calc R . . . .
C27 C 0.1023(3) 0.5073(3) 0.1294(4) 0.0848(19) Uani 1 1 d . . . . .
H27A H 0.086411 0.526159 0.077369 0.127 Uiso 1 1 calc GR . . . .
H27B H 0.066875 0.522506 0.154627 0.127 Uiso 1 1 calc GR . . . .
H27C H 0.094860 0.464404 0.122435 0.127 Uiso 1 1 calc GR . . . .
C28 C 0.2105(4) 0.5890(3) 0.1938(4) 0.0828(18) Uani 1 1 d . . . . .
H28A H 0.269783 0.596953 0.226238 0.124 Uiso 1 1 calc GR . . . .
H28B H 0.176853 0.605379 0.220160 0.124 Uiso 1 1 calc GR . . . .
H28C H 0.193867 0.607539 0.141428 0.124 Uiso 1 1 calc GR . . . .
C29 C 0.2579(3) 0.4247(2) 0.1537(3) 0.0474(11) Uani 1 1 d . . . . .
H29 H 0.228091 0.403499 0.178122 0.057 Uiso 1 1 calc R . . . .
C30 C 0.3074(3) 0.3931(2) 0.1215(3) 0.0532(12) Uani 1 1 d . . . . .
H30 H 0.309560 0.351137 0.124788 0.064 Uiso 1 1 calc R . . . .
C31 C 0.3543(3) 0.4236(2) 0.0841(3) 0.0537(12) Uani 1 1 d . . . . .
C32 C 0.4105(3) 0.3890(3) 0.0536(3) 0.0748(17) Uani 1 1 d . . . . .
H32A H 0.375634 0.364773 0.007880 0.112 Uiso 1 1 calc GR . . . .
H32B H 0.448243 0.363363 0.096051 0.112 Uiso 1 1 calc GR . . . .
H32C H 0.443369 0.416815 0.037442 0.112 Uiso 1 1 calc GR . . . .
C34 C 0.4003(2) 0.49707(18) 0.3759(2) 0.0376(9) Uani 1 1 d . . . . .
O3 O 0.1116(2) 0.5286(2) 0.4186(2) 0.0854(13) Uani 1 1 d . . . . .
H3A H 0.070636 0.544178 0.381697 0.128 Uiso 1 1 d R . . . .
C33 C 0.1787(4) 0.5263(4) 0.3979(5) 0.121(3) Uani 1 1 d . . . . .
H33A H 0.208821 0.564088 0.411081 0.182 Uiso 1 1 calc GR . . . .
H33B H 0.158473 0.519018 0.340628 0.182 Uiso 1 1 calc GR . . . .
H33C H 0.216487 0.494337 0.427282 0.182 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl2 2.4006(11) . ?
Ru1 O2 2.088(3) . ?
Ru1 N1 2.077(3) . ?
Ru1 C23 2.196(4) . ?
Ru1 C24 2.166(4) . ?
Ru1 C25 2.201(4) . ?
Ru1 C29 2.154(4) . ?
Ru1 C30 2.171(4) . ?
Ru1 C31 2.232(4) . ?
Cl1A C20 1.670(5) . ?
Cl1B Cl1B 2.444(9) 2_556 ?
Cl1B C18 1.740(6) . ?
O2 C11 1.333(5) . ?
N1 C22 1.402(5) . ?
N1 C34 1.333(5) . ?
N2 H2 0.8599 . ?
N2 C16 1.369(5) . ?
N2 C34 1.350(5) . ?
C2 C3 1.394(6) . ?
C2 C11 1.416(5) . ?
C2 C34 1.453(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.387(6) . ?
C4 C5 1.389(6) . ?
C4 C12 1.539(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(6) . ?
C6 C7 1.545(6) . ?
C6 C11 1.422(5) . ?
C7 C8 1.547(7) . ?
C7 C9 1.521(8) . ?
C7 C10 1.531(7) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C12 C13 1.498(8) . ?
C12 C14 1.524(7) . ?
C12 C15 1.514(8) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.396(6) . ?
C16 C22 1.386(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.365(7) . ?
C18 H18 0.9300 . ?
C18 C20 1.375(8) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.385(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.431(6) . ?
C23 C31 1.399(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.403(6) . ?
C25 C26 1.521(6) . ?
C25 C29 1.435(6) . ?
C26 H26 0.9800 . ?
C26 C27 1.536(7) . ?
C26 C28 1.515(7) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29 0.9300 . ?
C29 C30 1.401(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.421(7) . ?
C31 C32 1.505(6) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
O3 H3A 0.8202 . ?
O3 C33 1.355(7) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 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
O2 Ru1 Cl2 86.15(8) . . ?
O2 Ru1 C23 97.37(15) . . ?
O2 Ru1 C24 91.46(15) . . ?
O2 Ru1 C25 112.74(14) . . ?
O2 Ru1 C29 149.90(14) . . ?
O2 Ru1 C30 163.36(16) . . ?
O2 Ru1 C31 125.78(15) . . ?
N1 Ru1 Cl2 85.65(9) . . ?
N1 Ru1 O2 81.86(11) . . ?
N1 Ru1 C23 162.39(15) . . ?
N1 Ru1 C24 124.12(15) . . ?
N1 Ru1 C25 95.44(14) . . ?
N1 Ru1 C29 91.31(15) . . ?
N1 Ru1 C30 114.73(16) . . ?
N1 Ru1 C31 151.43(16) . . ?
C23 Ru1 Cl2 111.91(12) . . ?
C23 Ru1 C25 68.49(16) . . ?
C23 Ru1 C31 36.84(18) . . ?
C24 Ru1 Cl2 149.52(12) . . ?
C24 Ru1 C23 38.29(16) . . ?
C24 Ru1 C25 37.46(16) . . ?
C24 Ru1 C30 80.30(19) . . ?
C24 Ru1 C31 67.95(18) . . ?
C25 Ru1 Cl2 161.07(12) . . ?
C25 Ru1 C31 81.02(16) . . ?
C29 Ru1 Cl2 122.72(13) . . ?
C29 Ru1 C23 80.52(17) . . ?
C29 Ru1 C24 68.20(18) . . ?
C29 Ru1 C25 38.46(17) . . ?
C29 Ru1 C30 37.79(16) . . ?
C29 Ru1 C31 68.26(17) . . ?
C30 Ru1 Cl2 93.64(12) . . ?
C30 Ru1 C23 67.26(19) . . ?
C30 Ru1 C25 68.70(16) . . ?
C30 Ru1 C31 37.63(18) . . ?
C31 Ru1 Cl2 89.00(12) . . ?
C18 Cl1B Cl1B 112.2(3) . 2_556 ?
C11 O2 Ru1 121.8(2) . . ?
C22 N1 Ru1 128.4(3) . . ?
C34 N1 Ru1 125.2(3) . . ?
C34 N1 C22 106.2(3) . . ?
C16 N2 H2 126.0 . . ?
C34 N2 H2 126.0 . . ?
C34 N2 C16 108.0(3) . . ?
C3 C2 C11 121.3(4) . . ?
C3 C2 C34 118.4(4) . . ?
C11 C2 C34 120.3(4) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 C2 121.5(4) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 116.4(4) . . ?
C3 C4 C12 121.2(4) . . ?
C5 C4 C12 122.4(4) . . ?
C4 C5 H5 117.5 . . ?
C6 C5 C4 124.9(4) . . ?
C6 C5 H5 117.5 . . ?
C5 C6 C7 120.4(4) . . ?
C5 C6 C11 118.1(4) . . ?
C11 C6 C7 121.5(4) . . ?
C6 C7 C8 111.4(4) . . ?
C9 C7 C6 109.3(4) . . ?
C9 C7 C8 108.8(5) . . ?
C9 C7 C10 109.4(4) . . ?
C10 C7 C6 110.3(4) . . ?
C10 C7 C8 107.5(5) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O2 C11 C2 121.1(3) . . ?
O2 C11 C6 121.1(4) . . ?
C2 C11 C6 117.7(4) . . ?
C13 C12 C4 108.4(4) . . ?
C13 C12 C14 109.0(5) . . ?
C13 C12 C15 109.9(5) . . ?
C14 C12 C4 111.3(4) . . ?
C15 C12 C4 111.0(4) . . ?
C15 C12 C14 107.2(5) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 131.3(4) . . ?
N2 C16 C22 106.8(3) . . ?
C22 C16 C17 121.9(4) . . ?
C16 C17 H17 121.9 . . ?
C18 C17 C16 116.2(5) . . ?
C18 C17 H17 121.9 . . ?
C17 C18 Cl1B 130.7(5) . . ?
C17 C18 H18 118.9 . . ?
C17 C18 C20 122.2(4) . . ?
C20 C18 Cl1B 107.1(4) . . ?
C20 C18 H18 118.9 . . ?
C18 C20 Cl1A 114.9(4) . . ?
C18 C20 H20 118.8 . . ?
C18 C20 C21 122.3(5) . . ?
C21 C20 Cl1A 122.8(5) . . ?
C21 C20 H20 118.8 . . ?
C20 C21 H21 122.1 . . ?
C22 C21 C20 115.9(5) . . ?
C22 C21 H21 122.1 . . ?
C16 C22 N1 107.8(4) . . ?
C21 C22 N1 130.7(4) . . ?
C21 C22 C16 121.5(4) . . ?
Ru1 C23 H23 130.2 . . ?
C24 C23 Ru1 69.7(2) . . ?
C24 C23 H23 119.7 . . ?
C31 C23 Ru1 72.9(3) . . ?
C31 C23 H23 119.7 . . ?
C31 C23 C24 120.6(4) . . ?
Ru1 C24 H24 128.6 . . ?
C23 C24 Ru1 72.0(3) . . ?
C23 C24 H24 119.2 . . ?
C25 C24 Ru1 72.6(2) . . ?
C25 C24 C23 121.7(4) . . ?
C25 C24 H24 119.2 . . ?
C24 C25 Ru1 69.9(2) . . ?
C24 C25 C26 123.9(4) . . ?
C24 C25 C29 117.2(4) . . ?
C26 C25 Ru1 130.9(3) . . ?
C29 C25 Ru1 69.0(2) . . ?
C29 C25 C26 118.9(4) . . ?
C25 C26 H26 107.5 . . ?
C25 C26 C27 109.0(4) . . ?
C27 C26 H26 107.5 . . ?
C28 C26 C25 114.4(4) . . ?
C28 C26 H26 107.5 . . ?
C28 C26 C27 110.8(5) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Ru1 C29 H29 128.4 . . ?
C25 C29 Ru1 72.6(2) . . ?
C25 C29 H29 119.5 . . ?
C30 C29 Ru1 71.8(2) . . ?
C30 C29 C25 120.9(4) . . ?
C30 C29 H29 119.5 . . ?
Ru1 C30 H30 129.3 . . ?
C29 C30 Ru1 70.4(2) . . ?
C29 C30 H30 119.3 . . ?
C29 C30 C31 121.5(4) . . ?
C31 C30 Ru1 73.5(3) . . ?
C31 C30 H30 119.3 . . ?
C23 C31 Ru1 70.2(2) . . ?
C23 C31 C30 118.1(4) . . ?
C23 C31 C32 121.1(5) . . ?
C30 C31 Ru1 68.9(2) . . ?
C30 C31 C32 120.6(5) . . ?
C32 C31 Ru1 128.6(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N1 C34 N2 111.1(3) . . ?
N1 C34 C2 125.3(4) . . ?
N2 C34 C2 123.6(4) . . ?
C33 O3 H3A 109.5 . . ?
O3 C33 H33A 109.5 . . ?
O3 C33 H33B 109.5 . . ?
O3 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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 O2 C11 C2 45.6(5) . . . . ?
Ru1 O2 C11 C6 -136.7(3) . . . . ?
Ru1 N1 C22 C16 -176.5(3) . . . . ?
Ru1 N1 C22 C21 3.0(6) . . . . ?
Ru1 N1 C34 N2 177.5(3) . . . . ?
Ru1 N1 C34 C2 -1.5(6) . . . . ?
Ru1 C23 C24 C25 -55.3(4) . . . . ?
Ru1 C23 C31 C30 51.2(4) . . . . ?
Ru1 C23 C31 C32 -123.8(4) . . . . ?
Ru1 C24 C25 C26 126.5(4) . . . . ?
Ru1 C24 C25 C29 -51.9(3) . . . . ?
Ru1 C25 C26 C27 -155.2(4) . . . . ?
Ru1 C25 C26 C28 80.2(6) . . . . ?
Ru1 C25 C29 C30 -55.2(4) . . . . ?
Ru1 C29 C30 C31 -55.2(4) . . . . ?
Ru1 C30 C31 C23 -51.9(4) . . . . ?
Ru1 C30 C31 C32 123.2(4) . . . . ?
Cl1A C20 C21 C22 178.8(4) . . . . ?
Cl1B Cl1B C18 C17 77.9(7) 2_556 . . . ?
Cl1B Cl1B C18 C20 -101.3(4) 2_556 . . . ?
Cl1B C18 C20 C21 -179.7(4) . . . . ?
N2 C16 C17 C18 179.8(5) . . . . ?
N2 C16 C22 N1 -0.8(5) . . . . ?
N2 C16 C22 C21 179.6(4) . . . . ?
C2 C3 C4 C5 -2.5(7) . . . . ?
C2 C3 C4 C12 174.8(4) . . . . ?
C3 C2 C11 O2 -179.4(4) . . . . ?
C3 C2 C11 C6 2.8(6) . . . . ?
C3 C2 C34 N1 155.6(4) . . . . ?
C3 C2 C34 N2 -23.3(6) . . . . ?
C3 C4 C5 C6 1.3(7) . . . . ?
C3 C4 C12 C13 -85.0(6) . . . . ?
C3 C4 C12 C14 155.1(5) . . . . ?
C3 C4 C12 C15 35.7(7) . . . . ?
C4 C5 C6 C7 -176.1(5) . . . . ?
C4 C5 C6 C11 1.9(7) . . . . ?
C5 C4 C12 C13 92.1(6) . . . . ?
C5 C4 C12 C14 -27.8(7) . . . . ?
C5 C4 C12 C15 -147.2(5) . . . . ?
C5 C6 C7 C8 -2.1(7) . . . . ?
C5 C6 C7 C9 118.2(5) . . . . ?
C5 C6 C7 C10 -121.4(5) . . . . ?
C5 C6 C11 O2 178.4(4) . . . . ?
C5 C6 C11 C2 -3.9(6) . . . . ?
C7 C6 C11 O2 -3.7(7) . . . . ?
C7 C6 C11 C2 174.1(4) . . . . ?
C11 C2 C3 C4 0.4(7) . . . . ?
C11 C2 C34 N1 -24.1(6) . . . . ?
C11 C2 C34 N2 157.0(4) . . . . ?
C11 C6 C7 C8 -180.0(5) . . . . ?
C11 C6 C7 C9 -59.7(6) . . . . ?
C11 C6 C7 C10 60.7(6) . . . . ?
C12 C4 C5 C6 -175.9(5) . . . . ?
C16 N2 C34 N1 -1.4(5) . . . . ?
C16 N2 C34 C2 177.7(4) . . . . ?
C16 C17 C18 Cl1B -178.6(4) . . . . ?
C16 C17 C18 C20 0.5(8) . . . . ?
C17 C16 C22 N1 179.9(4) . . . . ?
C17 C16 C22 C21 0.3(7) . . . . ?
C17 C18 C20 Cl1A -179.5(4) . . . . ?
C17 C18 C20 C21 1.1(8) . . . . ?
C18 C20 C21 C22 -1.9(7) . . . . ?
C20 C21 C22 N1 -178.3(4) . . . . ?
C20 C21 C22 C16 1.2(6) . . . . ?
C22 N1 C34 N2 0.8(5) . . . . ?
C22 N1 C34 C2 -178.2(4) . . . . ?
C22 C16 C17 C18 -1.1(7) . . . . ?
C23 C24 C25 Ru1 55.0(4) . . . . ?
C23 C24 C25 C26 -178.5(4) . . . . ?
C23 C24 C25 C29 3.1(6) . . . . ?
C24 C23 C31 Ru1 -53.0(4) . . . . ?
C24 C23 C31 C30 -1.7(6) . . . . ?
C24 C23 C31 C32 -176.8(4) . . . . ?
C24 C25 C26 C27 112.7(5) . . . . ?
C24 C25 C26 C28 -11.8(7) . . . . ?
C24 C25 C29 Ru1 52.3(3) . . . . ?
C24 C25 C29 C30 -2.9(6) . . . . ?
C25 C29 C30 Ru1 55.6(4) . . . . ?
C25 C29 C30 C31 0.4(7) . . . . ?
C26 C25 C29 Ru1 -126.1(4) . . . . ?
C26 C25 C29 C30 178.6(4) . . . . ?
C29 C25 C26 C27 -68.9(6) . . . . ?
C29 C25 C26 C28 166.5(4) . . . . ?
C29 C30 C31 Ru1 53.8(4) . . . . ?
C29 C30 C31 C23 1.9(7) . . . . ?
C29 C30 C31 C32 177.0(4) . . . . ?
C31 C23 C24 Ru1 54.5(4) . . . . ?
C31 C23 C24 C25 -0.8(7) . . . . ?
C34 N1 C22 C16 0.0(4) . . . . ?
C34 N1 C22 C21 179.5(4) . . . . ?
C34 N2 C16 C17 -179.5(5) . . . . ?
C34 N2 C16 C22 1.3(5) . . . . ?
C34 C2 C3 C4 -179.3(4) . . . . ?
C34 C2 C11 O2 0.3(6) . . . . ?
C34 C2 C11 C6 -177.5(4) . . . . ?

_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_tbsata_ome_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2424484'
loop_
_audit_author_name
_audit_author_address
'Sanjay Pratihar'
;CSIR CSMCRI Bhavnagar
India
;
_audit_update_record             
;
2025-02-17 deposited with the CCDC.	2025-07-18 downloaded from the CCDC.
;
_audit_creation_date             2023-01-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H41 Cl N2 O Ru, C H4 O'
_chemical_formula_sum            'C33 H45 Cl N2 O2 Ru'
_chemical_formula_weight         638.23
_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      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_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.2707(4)
_cell_length_b                   14.6482(5)
_cell_length_c                   17.8518(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.4390(10)
_cell_angle_gamma                90
_cell_volume                     3203.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9745
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      32.13
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.959
_shelx_estimated_absorpt_T_min   0.889
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0814 before and 0.0626 after correction. The Ratio of minimum to maximum transmission is 0.8981. 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    1.324
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 1.000
_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       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            137649
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.029
_diffrn_reflns_theta_min         2.167
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8954
_reflns_number_total             12055
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         12055
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0401
_refine_ls_restrained_S_all      1.118
_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)+(0.0552P)²+1.8310P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1231
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C15(H15),
 C20(H20), C22(H22)
2.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C17(H17A,H17B,H17C),
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,
 H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_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 0.42662(2) 0.64076(2) 0.72803(2) 0.02898(5) Uani 1 1 d . . . . .
Cl1 Cl 0.35911(5) 0.48573(4) 0.72395(3) 0.04445(13) Uani 1 1 d . . . . .
N1 N 0.44530(14) 0.63023(12) 0.61354(10) 0.0304(3) Uani 1 1 d . . . . .
O2 O 0.57936(11) 0.57798(11) 0.73145(8) 0.0346(3) Uani 1 1 d . . . . .
O3 O 0.1068(3) 0.5114(4) 0.7093(3) 0.1447(17) Uani 1 1 d . . . . .
H3 H 0.173544 0.507081 0.711338 0.217 Uiso 1 1 calc GR . . . .
N2 N 0.53057(15) 0.62649(13) 0.50715(10) 0.0337(4) Uani 1 1 d . . . . .
C1 C 0.4486(2) 0.70629(17) 0.83880(13) 0.0411(5) Uani 1 1 d . . . . .
H1 H 0.493858 0.692416 0.880932 0.049 Uiso 1 1 calc R . . . .
C2 C 0.48892(19) 0.76346(16) 0.78173(13) 0.0401(5) Uani 1 1 d . . . . .
H2 H 0.560748 0.783927 0.786390 0.048 Uiso 1 1 calc R . . . .
C3 C 0.42182(19) 0.78926(16) 0.71869(14) 0.0404(5) Uani 1 1 d . . . . .
C4 C 0.4645(3) 0.84701(19) 0.65747(18) 0.0559(7) Uani 1 1 d . . . . .
H4A H 0.456613 0.910358 0.669809 0.084 Uiso 1 1 calc GR . . . .
H4B H 0.423967 0.834171 0.611002 0.084 Uiso 1 1 calc GR . . . .
H4C H 0.540265 0.833428 0.652458 0.084 Uiso 1 1 calc GR . . . .
C5 C 0.3133(2) 0.75362(17) 0.71295(15) 0.0426(5) Uani 1 1 d . . . . .
H5 H 0.266898 0.769534 0.671911 0.051 Uiso 1 1 calc R . . . .
C6 C 0.27510(19) 0.69527(17) 0.76773(14) 0.0423(5) Uani 1 1 d . . . . .
H6 H 0.204569 0.672057 0.761782 0.051 Uiso 1 1 calc R . . . .
C7 C 0.34265(19) 0.67078(17) 0.83261(13) 0.0395(5) Uani 1 1 d . . . . .
C8 C 0.2984(3) 0.6062(2) 0.88958(16) 0.0539(7) Uani 1 1 d . . . . .
H8 H 0.253220 0.560818 0.861875 0.065 Uiso 1 1 calc R . . . .
C9 C 0.2236(4) 0.6599(3) 0.9393(3) 0.0983(15) Uani 1 1 d . . . . .
H9A H 0.266253 0.702701 0.969299 0.147 Uiso 1 1 calc GR . . . .
H9B H 0.187794 0.618401 0.971441 0.147 Uiso 1 1 calc GR . . . .
H9C H 0.169833 0.692105 0.908233 0.147 Uiso 1 1 calc GR . . . .
C10 C 0.3851(4) 0.5549(3) 0.9363(2) 0.0846(12) Uani 1 1 d . . . . .
H10A H 0.432375 0.523721 0.903772 0.127 Uiso 1 1 calc GR . . . .
H10B H 0.350966 0.511150 0.967387 0.127 Uiso 1 1 calc GR . . . .
H10C H 0.427062 0.597115 0.967362 0.127 Uiso 1 1 calc GR . . . .
C11 C 0.36837(17) 0.61280(15) 0.55490(12) 0.0327(4) Uani 1 1 d . . . . .
C12 C 0.25625(18) 0.59847(17) 0.55539(14) 0.0419(5) Uani 1 1 d . . . . .
H12 H 0.219569 0.602452 0.599370 0.050 Uiso 1 1 calc R . . . .
C13 C 0.2020(2) 0.5780(2) 0.48714(16) 0.0523(6) Uani 1 1 d . . . . .
H13 H 0.126912 0.568487 0.485226 0.063 Uiso 1 1 calc R . . . .
C14 C 0.2570(2) 0.5712(2) 0.42137(15) 0.0536(7) Uani 1 1 d . . . . .
H14 H 0.217696 0.555583 0.377046 0.064 Uiso 1 1 calc R . . . .
C15 C 0.3673(2) 0.58684(18) 0.41964(13) 0.0439(5) Uani 1 1 d . . . . .
H15 H 0.403573 0.582879 0.375468 0.053 Uiso 1 1 calc R . . . .
C16 C 0.42186(18) 0.60907(15) 0.48840(12) 0.0344(4) Uani 1 1 d . . . . .
C17 C 0.6161(2) 0.61848(18) 0.45437(13) 0.0423(5) Uani 1 1 d . . . . .
H17A H 0.633600 0.677934 0.435901 0.063 Uiso 1 1 calc GR . . . .
H17B H 0.591176 0.580258 0.413159 0.063 Uiso 1 1 calc GR . . . .
H17C H 0.680041 0.591962 0.479287 0.063 Uiso 1 1 calc GR . . . .
C18 C 0.54176(16) 0.63866(13) 0.58341(11) 0.0296(4) Uani 1 1 d . . . . .
C19 C 0.64441(16) 0.65680(15) 0.62581(12) 0.0318(4) Uani 1 1 d . . . . .
C20 C 0.72637(17) 0.70724(16) 0.59421(12) 0.0360(4) Uani 1 1 d . . . . .
H20 H 0.711891 0.734657 0.547686 0.043 Uiso 1 1 calc R . . . .
C21 C 0.82850(18) 0.71760(17) 0.63013(14) 0.0395(5) Uani 1 1 d . . . . .
C22 C 0.84597(17) 0.67427(18) 0.69956(14) 0.0398(5) Uani 1 1 d . . . . .
H22 H 0.915455 0.677641 0.723245 0.048 Uiso 1 1 calc R . . . .
C23 C 0.76636(17) 0.62643(15) 0.73559(12) 0.0341(4) Uani 1 1 d . . . . .
C24 C 0.65979(16) 0.61994(14) 0.69964(11) 0.0311(4) Uani 1 1 d . . . . .
C25 C 0.79326(19) 0.57885(18) 0.81106(13) 0.0423(5) Uani 1 1 d . . . . .
C26 C 0.7177(2) 0.6115(3) 0.87023(15) 0.0606(8) Uani 1 1 d . . . . .
H26A H 0.722081 0.676709 0.874453 0.091 Uiso 1 1 calc GR . . . .
H26B H 0.739478 0.584221 0.917710 0.091 Uiso 1 1 calc GR . . . .
H26C H 0.644022 0.594000 0.855829 0.091 Uiso 1 1 calc GR . . . .
C27 C 0.9117(2) 0.5966(2) 0.84170(16) 0.0580(7) Uani 1 1 d . . . . .
H27A H 0.961482 0.574253 0.806519 0.087 Uiso 1 1 calc GR . . . .
H27B H 0.924608 0.565677 0.888796 0.087 Uiso 1 1 calc GR . . . .
H27C H 0.922550 0.661016 0.848841 0.087 Uiso 1 1 calc GR . . . .
C28 C 0.7806(3) 0.4755(2) 0.80016(19) 0.0593(7) Uani 1 1 d . . . . .
H28A H 0.708475 0.462215 0.779230 0.089 Uiso 1 1 calc GR . . . .
H28B H 0.792024 0.445367 0.847747 0.089 Uiso 1 1 calc GR . . . .
H28C H 0.833467 0.454172 0.766685 0.089 Uiso 1 1 calc GR . . . .
C29 C 0.9169(2) 0.7724(2) 0.59338(18) 0.0558(7) Uani 1 1 d . . . . .
C30 C 1.0275(3) 0.7670(3) 0.6373(3) 0.0894(14) Uani 1 1 d . . . . .
H30A H 1.020744 0.790305 0.687035 0.134 Uiso 1 1 calc GR . . . .
H30B H 1.079917 0.802717 0.612277 0.134 Uiso 1 1 calc GR . . . .
H30C H 1.051211 0.704577 0.640059 0.134 Uiso 1 1 calc GR . . . .
C31 C 0.9333(3) 0.7321(4) 0.5153(2) 0.0879(13) Uani 1 1 d . . . . .
H31A H 0.956811 0.669831 0.520368 0.132 Uiso 1 1 calc GR . . . .
H31B H 0.987644 0.766893 0.491293 0.132 Uiso 1 1 calc GR . . . .
H31C H 0.865631 0.734593 0.485402 0.132 Uiso 1 1 calc GR . . . .
C32 C 0.8824(4) 0.8710(3) 0.5841(3) 0.0927(14) Uani 1 1 d . . . . .
H32A H 0.814147 0.874065 0.554891 0.139 Uiso 1 1 calc GR . . . .
H32B H 0.937019 0.903991 0.558875 0.139 Uiso 1 1 calc GR . . . .
H32C H 0.874002 0.897633 0.632533 0.139 Uiso 1 1 calc GR . . . .
C33 C 0.0608(6) 0.4429(7) 0.6613(4) 0.211(5) Uani 1 1 d . . . . .
H33A H 0.028256 0.396580 0.690732 0.316 Uiso 1 1 calc GR . . . .
H33B H 0.116944 0.416217 0.633159 0.316 Uiso 1 1 calc GR . . . .
H33C H 0.005987 0.469541 0.627412 0.316 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.4170(6) . ?
Ru1 N1 2.0760(17) . ?
Ru1 O2 2.0854(15) . ?
Ru1 C1 2.200(2) . ?
Ru1 C2 2.155(2) . ?
Ru1 C3 2.182(2) . ?
Ru1 C5 2.167(2) . ?
Ru1 C6 2.181(2) . ?
Ru1 C7 2.230(2) . ?
N1 C11 1.391(2) . ?
N1 C18 1.335(3) . ?
O2 C24 1.320(3) . ?
O3 H3 0.8200 . ?
O3 C33 1.415(8) . ?
N2 C16 1.379(3) . ?
N2 C17 1.457(3) . ?
N2 C18 1.372(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.430(4) . ?
C1 C7 1.399(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.406(3) . ?
C3 C4 1.501(4) . ?
C3 C5 1.429(3) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5 0.9300 . ?
C5 C6 1.400(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.429(4) . ?
C7 C8 1.514(4) . ?
C8 H8 0.9800 . ?
C8 C9 1.532(4) . ?
C8 C10 1.512(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.392(3) . ?
C11 C16 1.392(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.386(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.392(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.376(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.401(3) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.455(3) . ?
C19 C20 1.394(3) . ?
C19 C24 1.426(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.381(3) . ?
C21 C22 1.398(3) . ?
C21 C29 1.528(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.391(3) . ?
C23 C24 1.425(3) . ?
C23 C25 1.535(3) . ?
C25 C26 1.523(4) . ?
C25 C27 1.544(3) . ?
C25 C28 1.533(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.528(4) . ?
C29 C31 1.538(5) . ?
C29 C32 1.512(5) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 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 87.62(5) . . ?
N1 Ru1 O2 81.02(6) . . ?
N1 Ru1 C1 154.48(8) . . ?
N1 Ru1 C2 116.27(8) . . ?
N1 Ru1 C3 90.16(8) . . ?
N1 Ru1 C5 92.43(8) . . ?
N1 Ru1 C6 119.59(8) . . ?
N1 Ru1 C7 157.35(8) . . ?
O2 Ru1 Cl1 83.82(5) . . ?
O2 Ru1 C1 95.99(8) . . ?
O2 Ru1 C2 93.47(8) . . ?
O2 Ru1 C3 117.51(8) . . ?
O2 Ru1 C5 155.40(8) . . ?
O2 Ru1 C6 159.12(8) . . ?
O2 Ru1 C7 121.47(8) . . ?
C1 Ru1 Cl1 117.41(7) . . ?
C1 Ru1 C7 36.81(9) . . ?
C2 Ru1 Cl1 155.32(7) . . ?
C2 Ru1 C1 38.31(9) . . ?
C2 Ru1 C3 37.82(9) . . ?
C2 Ru1 C5 68.10(10) . . ?
C2 Ru1 C6 80.60(9) . . ?
C2 Ru1 C7 68.44(9) . . ?
C3 Ru1 Cl1 157.93(7) . . ?
C3 Ru1 C1 68.60(9) . . ?
C3 Ru1 C7 81.71(9) . . ?
C5 Ru1 Cl1 119.79(7) . . ?
C5 Ru1 C1 79.75(10) . . ?
C5 Ru1 C3 38.35(9) . . ?
C5 Ru1 C6 37.58(10) . . ?
C5 Ru1 C7 68.17(10) . . ?
C6 Ru1 Cl1 93.24(7) . . ?
C6 Ru1 C1 67.00(9) . . ?
C6 Ru1 C3 68.91(9) . . ?
C6 Ru1 C7 37.79(9) . . ?
C7 Ru1 Cl1 92.05(7) . . ?
C11 N1 Ru1 130.14(14) . . ?
C18 N1 Ru1 122.87(13) . . ?
C18 N1 C11 106.98(17) . . ?
C24 O2 Ru1 118.43(13) . . ?
C33 O3 H3 109.5 . . ?
C16 N2 C17 123.52(18) . . ?
C18 N2 C16 107.61(18) . . ?
C18 N2 C17 128.25(19) . . ?
Ru1 C1 H1 131.8 . . ?
C2 C1 Ru1 69.15(12) . . ?
C2 C1 H1 119.3 . . ?
C7 C1 Ru1 72.74(13) . . ?
C7 C1 H1 119.3 . . ?
C7 C1 C2 121.4(2) . . ?
Ru1 C2 H2 128.1 . . ?
C1 C2 Ru1 72.54(13) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 Ru1 72.13(13) . . ?
C3 C2 C1 121.1(2) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 Ru1 70.06(13) . . ?
C2 C3 C4 121.4(2) . . ?
C2 C3 C5 117.3(2) . . ?
C4 C3 Ru1 127.48(18) . . ?
C5 C3 Ru1 70.25(13) . . ?
C5 C3 C4 121.2(2) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Ru1 C5 H5 130.3 . . ?
C3 C5 Ru1 71.40(13) . . ?
C3 C5 H5 119.3 . . ?
C6 C5 Ru1 71.74(14) . . ?
C6 C5 C3 121.5(2) . . ?
C6 C5 H5 119.3 . . ?
Ru1 C6 H6 129.4 . . ?
C5 C6 Ru1 70.68(13) . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.1(2) . . ?
C7 C6 Ru1 72.97(13) . . ?
C7 C6 H6 119.4 . . ?
C1 C7 Ru1 70.45(13) . . ?
C1 C7 C6 117.5(2) . . ?
C1 C7 C8 123.3(2) . . ?
C6 C7 Ru1 69.24(13) . . ?
C6 C7 C8 119.2(2) . . ?
C8 C7 Ru1 129.92(18) . . ?
C7 C8 H8 107.4 . . ?
C7 C8 C9 108.6(3) . . ?
C9 C8 H8 107.4 . . ?
C10 C8 C7 114.4(3) . . ?
C10 C8 H8 107.4 . . ?
C10 C8 C9 111.2(3) . . ?
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 C12 130.5(2) . . ?
N1 C11 C16 108.40(18) . . ?
C16 C11 C12 121.1(2) . . ?
C11 C12 H12 121.6 . . ?
C13 C12 C11 116.8(2) . . ?
C13 C12 H12 121.6 . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.7(2) . . ?
C14 C13 H13 119.2 . . ?
C13 C14 H14 118.8 . . ?
C15 C14 C13 122.3(2) . . ?
C15 C14 H14 118.8 . . ?
C14 C15 H15 122.0 . . ?
C14 C15 C16 116.0(2) . . ?
C16 C15 H15 122.0 . . ?
N2 C16 C11 106.53(17) . . ?
N2 C16 C15 131.3(2) . . ?
C11 C16 C15 122.1(2) . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 N2 110.46(17) . . ?
N1 C18 C19 124.64(18) . . ?
N2 C18 C19 124.90(19) . . ?
C20 C19 C18 120.63(19) . . ?
C20 C19 C24 121.06(18) . . ?
C24 C19 C18 118.30(18) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 C19 121.8(2) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C22 116.6(2) . . ?
C20 C21 C29 120.4(2) . . ?
C22 C21 C29 123.0(2) . . ?
C21 C22 H22 117.8 . . ?
C23 C22 C21 124.4(2) . . ?
C23 C22 H22 117.8 . . ?
C22 C23 C24 118.4(2) . . ?
C22 C23 C25 120.97(19) . . ?
C24 C23 C25 120.6(2) . . ?
O2 C24 C19 120.87(18) . . ?
O2 C24 C23 121.80(19) . . ?
C23 C24 C19 117.26(19) . . ?
C23 C25 C27 112.5(2) . . ?
C26 C25 C23 111.0(2) . . ?
C26 C25 C27 107.5(2) . . ?
C26 C25 C28 109.7(3) . . ?
C28 C25 C23 108.8(2) . . ?
C28 C25 C27 107.3(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C21 C29 C31 108.8(3) . . ?
C30 C29 C21 112.6(2) . . ?
C30 C29 C31 106.5(3) . . ?
C32 C29 C21 110.3(3) . . ?
C32 C29 C30 109.9(3) . . ?
C32 C29 C31 108.5(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 H33A 109.5 . . ?
O3 C33 H33B 109.5 . . ?
O3 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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 0.9(4) . . . . ?
Ru1 N1 C11 C16 -177.78(15) . . . . ?
Ru1 N1 C18 N2 178.55(13) . . . . ?
Ru1 N1 C18 C19 -0.6(3) . . . . ?
Ru1 O2 C24 C19 -47.8(2) . . . . ?
Ru1 O2 C24 C23 135.36(17) . . . . ?
Ru1 C1 C2 C3 55.53(19) . . . . ?
Ru1 C1 C7 C6 -52.48(19) . . . . ?
Ru1 C1 C7 C8 125.5(2) . . . . ?
Ru1 C2 C3 C4 -122.5(2) . . . . ?
Ru1 C2 C3 C5 53.75(19) . . . . ?
Ru1 C3 C5 C6 53.6(2) . . . . ?
Ru1 C5 C6 C7 54.9(2) . . . . ?
Ru1 C6 C7 C1 53.06(19) . . . . ?
Ru1 C6 C7 C8 -125.0(2) . . . . ?
Ru1 C7 C8 C9 -165.7(3) . . . . ?
Ru1 C7 C8 C10 69.4(4) . . . . ?
N1 C11 C12 C13 -176.8(2) . . . . ?
N1 C11 C16 N2 -1.4(2) . . . . ?
N1 C11 C16 C15 175.9(2) . . . . ?
N1 C18 C19 C20 -148.1(2) . . . . ?
N1 C18 C19 C24 33.3(3) . . . . ?
N2 C18 C19 C20 32.9(3) . . . . ?
N2 C18 C19 C24 -145.7(2) . . . . ?
C1 C2 C3 Ru1 -55.7(2) . . . . ?
C1 C2 C3 C4 -178.2(2) . . . . ?
C1 C2 C3 C5 -2.0(3) . . . . ?
C1 C7 C8 C9 102.7(4) . . . . ?
C1 C7 C8 C10 -22.2(4) . . . . ?
C2 C1 C7 Ru1 51.2(2) . . . . ?
C2 C1 C7 C6 -1.3(3) . . . . ?
C2 C1 C7 C8 176.8(2) . . . . ?
C2 C3 C5 Ru1 -53.66(19) . . . . ?
C2 C3 C5 C6 -0.1(3) . . . . ?
C3 C5 C6 Ru1 -53.4(2) . . . . ?
C3 C5 C6 C7 1.5(4) . . . . ?
C4 C3 C5 Ru1 122.6(2) . . . . ?
C4 C3 C5 C6 176.1(2) . . . . ?
C5 C6 C7 Ru1 -53.9(2) . . . . ?
C5 C6 C7 C1 -0.8(3) . . . . ?
C5 C6 C7 C8 -178.9(2) . . . . ?
C6 C7 C8 C9 -79.3(4) . . . . ?
C6 C7 C8 C10 155.8(3) . . . . ?
C7 C1 C2 Ru1 -52.8(2) . . . . ?
C7 C1 C2 C3 2.7(3) . . . . ?
C11 N1 C18 N2 -0.5(2) . . . . ?
C11 N1 C18 C19 -179.68(19) . . . . ?
C11 C12 C13 C14 0.6(4) . . . . ?
C12 C11 C16 N2 179.7(2) . . . . ?
C12 C11 C16 C15 -2.9(4) . . . . ?
C12 C13 C14 C15 -1.8(5) . . . . ?
C13 C14 C15 C16 0.7(4) . . . . ?
C14 C15 C16 N2 178.3(2) . . . . ?
C14 C15 C16 C11 1.6(4) . . . . ?
C16 N2 C18 N1 -0.3(2) . . . . ?
C16 N2 C18 C19 178.79(19) . . . . ?
C16 C11 C12 C13 1.7(4) . . . . ?
C17 N2 C16 C11 172.7(2) . . . . ?
C17 N2 C16 C15 -4.3(4) . . . . ?
C17 N2 C18 N1 -171.5(2) . . . . ?
C17 N2 C18 C19 7.7(3) . . . . ?
C18 N1 C11 C12 179.9(2) . . . . ?
C18 N1 C11 C16 1.2(2) . . . . ?
C18 N2 C16 C11 1.1(2) . . . . ?
C18 N2 C16 C15 -175.9(2) . . . . ?
C18 C19 C20 C21 -173.3(2) . . . . ?
C18 C19 C24 O2 -6.4(3) . . . . ?
C18 C19 C24 C23 170.58(19) . . . . ?
C19 C20 C21 C22 0.5(4) . . . . ?
C19 C20 C21 C29 179.2(2) . . . . ?
C20 C19 C24 O2 175.0(2) . . . . ?
C20 C19 C24 C23 -8.0(3) . . . . ?
C20 C21 C22 C23 -3.5(4) . . . . ?
C20 C21 C29 C30 -173.4(3) . . . . ?
C20 C21 C29 C31 -55.6(4) . . . . ?
C20 C21 C29 C32 63.4(4) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C21 C22 C23 C25 178.5(2) . . . . ?
C22 C21 C29 C30 5.1(4) . . . . ?
C22 C21 C29 C31 123.0(3) . . . . ?
C22 C21 C29 C32 -118.0(3) . . . . ?
C22 C23 C24 O2 -178.0(2) . . . . ?
C22 C23 C24 C19 5.1(3) . . . . ?
C22 C23 C25 C26 124.4(3) . . . . ?
C22 C23 C25 C27 3.9(3) . . . . ?
C22 C23 C25 C28 -114.9(3) . . . . ?
C24 C19 C20 C21 5.3(3) . . . . ?
C24 C23 C25 C26 -57.7(3) . . . . ?
C24 C23 C25 C27 -178.2(2) . . . . ?
C24 C23 C25 C28 63.0(3) . . . . ?
C25 C23 C24 O2 4.1(3) . . . . ?
C25 C23 C24 C19 -172.9(2) . . . . ?
C29 C21 C22 C23 177.8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
