# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ru-morpho-cl_1
_database_code_depnum_ccdc_archive 'CCDC 2114958'
loop_
_audit_author_name
_audit_author_address
'Arindam Mukherjee'
;IISER Kolkata
India
;
_audit_update_record             
;
2021-10-11 deposited with the CCDC.	2022-09-22 downloaded from the CCDC.
;
_audit_creation_date             2021-10-11
_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         'C43 H55 Cl N2 O8 Ru'
_chemical_formula_sum            'C43 H55 Cl N2 O8 Ru'
_chemical_formula_weight         864.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O Ru Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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                   8.0338(2)
_cell_length_b                   12.4908(2)
_cell_length_c                   22.2953(3)
_cell_angle_alpha                101.6500(10)
_cell_angle_beta                 95.535(2)
_cell_angle_gamma                100.588(2)
_cell_volume                     2133.08(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    21788
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      66.0750
_cell_measurement_theta_min      3.6860
_shelx_estimated_absorpt_T_max   0.665
_shelx_estimated_absorpt_T_min   0.411
_exptl_absorpt_coefficient_mu    3.977
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orange
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.2716
_exptl_crystal_size_mid          0.1195
_exptl_crystal_size_min          0.1118
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35831
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        66.243
_diffrn_reflns_theta_max         66.243
_diffrn_reflns_theta_min         3.694
_diffrn_ambient_temperature      100(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 7.9580
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   57.00  121.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311  178.0000  -30.0000 64

#__ type_ start__ end____ width___ exp.time_
  2 omega  -12.00  102.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311   57.0000  -60.0000 114

#__ type_ start__ end____ width___ exp.time_
  3 omega  -12.00  102.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311   57.0000 -150.0000 114

#__ type_ start__ end____ width___ exp.time_
  4 omega  -29.00  108.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311   38.0000   90.0000 137

#__ type_ start__ end____ width___ exp.time_
  5 omega  -12.00  102.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311   57.0000  150.0000 114

#__ type_ start__ end____ width___ exp.time_
  6 omega  100.00  153.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656  111.0000 -120.0000 53

#__ type_ start__ end____ width___ exp.time_
  7 omega  100.00  153.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656  111.0000  -30.0000 53

#__ type_ start__ end____ width___ exp.time_
  8 omega   12.00  116.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656 -111.0000   60.0000 104

#__ type_ start__ end____ width___ exp.time_
  9 omega  -12.00  115.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656  -45.0000   30.0000 127

#__ type_ start__ end____ width___ exp.time_
 10 omega   23.00   49.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   78.0000 -123.2826 26

#__ type_ start__ end____ width___ exp.time_
 11 omega  100.00  153.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656  111.0000   90.0000 53

#__ type_ start__ end____ width___ exp.time_
 12 omega   30.00  144.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   61.0000 -180.0000 114

#__ type_ start__ end____ width___ exp.time_
 13 omega   30.00  144.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   61.0000    0.0000 114

#__ type_ start__ end____ width___ exp.time_
 14 omega   12.00  116.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656 -111.0000  -60.0000 104

#__ type_ start__ end____ width___ exp.time_
 15 omega   20.00  147.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   45.0000  -60.0000 127

#__ type_ start__ end____ width___ exp.time_
 16 omega  100.00  153.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656  111.0000  120.0000 53

#__ type_ start__ end____ width___ exp.time_
 17 omega   20.00  147.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   45.0000 -120.0000 127

#__ type_ start__ end____ width___ exp.time_
 18 omega   20.00  109.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000   39.0000 89

#__ type_ start__ end____ width___ exp.time_
 19 omega  101.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  104.0000  -30.0000 77

#__ type_ start__ end____ width___ exp.time_
 20 omega   17.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000    0.0000  -60.0000 161

#__ type_ start__ end____ width___ exp.time_
 21 omega   28.00  158.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -43.0000    0.0000 130

#__ type_ start__ end____ width___ exp.time_
 22 omega   21.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -21.0000  -30.0000 157

#__ type_ start__ end____ width___ exp.time_
 23 omega   86.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  138.0000  120.0000 92

#__ type_ start__ end____ width___ exp.time_
 24 omega   58.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   43.0000  150.0000 120

#__ type_ start__ end____ width___ exp.time_
 25 omega   21.00  113.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -104.0000  150.0000 92

#__ type_ start__ end____ width___ exp.time_
 26 omega  101.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  104.0000   30.0000 77

#__ type_ start__ end____ width___ exp.time_
 27 omega   29.00  145.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -65.0000   30.0000 116

#__ type_ start__ end____ width___ exp.time_
 28 omega   23.00  116.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000 -102.1816 93

#__ type_ start__ end____ width___ exp.time_
 29 omega   19.00  158.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -89.0000  150.0000 139

#__ type_ start__ end____ width___ exp.time_
 30 omega   23.00  151.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000  -60.0000 128

#__ type_ start__ end____ width___ exp.time_
 31 omega   86.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  138.0000   90.0000 92

#__ type_ start__ end____ width___ exp.time_
 32 omega   71.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   65.0000  120.0000 107

#__ type_ start__ end____ width___ exp.time_
 33 omega   71.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   65.0000 -150.0000 107

#__ type_ start__ end____ width___ exp.time_
 34 omega   31.00  147.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -54.0000 -150.0000 116

#__ type_ start__ end____ width___ exp.time_
 35 omega   23.00  151.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000  -30.0000 128

#__ type_ start__ end____ width___ exp.time_
 36 omega   65.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -120.0000 113

#__ type_ start__ end____ width___ exp.time_
 37 omega   28.00  158.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -43.0000  150.0000 130

#__ type_ start__ end____ width___ exp.time_
 38 omega  101.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  104.0000   90.0000 77

#__ type_ start__ end____ width___ exp.time_
 39 omega   86.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  138.0000 -150.0000 92

#__ type_ start__ end____ width___ exp.time_
 40 omega   71.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   65.0000  150.0000 107

#__ type_ start__ end____ width___ exp.time_
 41 omega   86.00  178.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  138.0000   60.0000 92

#__ type_ start__ end____ width___ exp.time_
 42 omega   21.00  113.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -104.0000 -150.0000 92

#__ type_ start__ end____ width___ exp.time_
 43 omega   21.00  113.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -104.0000  -30.0000 92

#__ type_ start__ end____ width___ exp.time_
 44 omega   26.00  122.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -125.0000   48.8092 96

#__ type_ start__ end____ width___ exp.time_
 45 omega  -50.00   64.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311  -57.0000  -90.0000 114

#__ type_ start__ end____ width___ exp.time_
 46 omega  -25.00   25.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311   94.0000  150.0000 50

#__ type_ start__ end____ width___ exp.time_
 47 omega  -50.00   64.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311  -57.0000   90.0000 114

#__ type_ start__ end____ width___ exp.time_
 48 omega  -50.00   64.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311  -57.0000  -30.0000 114

#__ type_ start__ end____ width___ exp.time_
 49 omega  -17.00  111.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311   77.0000    0.0000 128

#__ type_ start__ end____ width___ exp.time_
 50 omega   57.00  121.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       26.3311  178.0000  150.0000 64

#__ type_ start__ end____ width___ exp.time_
 51 omega   30.00  144.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   61.0000   90.0000 114

#__ type_ start__ end____ width___ exp.time_
 52 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000    0.0000 128

#__ type_ start__ end____ width___ exp.time_
 53 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000  -90.0000 128

#__ type_ start__ end____ width___ exp.time_
 54 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000 -180.0000 128

#__ type_ start__ end____ width___ exp.time_
 55 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000  -60.0000 128

#__ type_ start__ end____ width___ exp.time_
 56 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000  120.0000 128

#__ type_ start__ end____ width___ exp.time_
 57 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000   90.0000 128

#__ type_ start__ end____ width___ exp.time_
 58 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000  -30.0000 128

#__ type_ start__ end____ width___ exp.time_
 59 omega   24.00  120.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000 -150.0000 96

#__ type_ start__ end____ width___ exp.time_
 60 omega   24.00  152.00   1.0000    3.0300
omega____ theta____ kappa____ phi______ frames
    -       67.1656   77.0000   30.0000 128
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0471137000
_diffrn_orient_matrix_UB_12      0.1272580000
_diffrn_orient_matrix_UB_13      0.0057759000
_diffrn_orient_matrix_UB_21      -0.0949472000
_diffrn_orient_matrix_UB_22      -0.0148787000
_diffrn_orient_matrix_UB_23      -0.0655158000
_diffrn_orient_matrix_UB_31      -0.1660390000
_diffrn_orient_matrix_UB_32      0.0127709000
_diffrn_orient_matrix_UB_33      0.0273773000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6748
_reflns_number_total             7402
_reflns_odcompleteness_completeness 97.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33c (release 11-04-2014 CrysAlis171 .NET)
(compiled Apr 11 2014,15:12:41)
;
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.328
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         7402
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0946P)²+0.3524P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1397
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C39(H39A,H39B), C38(H38A,H38B), C40(H40A,
 H40B), C14(H14A,H14B), C41(H41A,H41B), C11(H11A,H11B), C43(H43A,H43B),
 C42(H42A,H42B), C12(H12A,H12B), C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C27(H27), C29(H29), C21(H21), C36(H36), C24(H24), C30(H30), C25(H25), C3(H3),
 C4(H4), C6(H6), C19(H19), C32(H32), C7(H7), C18(H18), C33(H33)
2.d Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C23(H23A,H23B,H23C), C1(H1A,H1B,H1C), C10(H10A,H10B,
 H10C), C9(H9A,H9B,H9C)
;
_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 0.76271(3) 0.25921(2) 0.55002(2) 0.05148(12) Uani 1 1 d . . . . .
Cl1 Cl 0.44775(10) 0.22896(7) 0.54475(5) 0.0638(2) Uani 1 1 d . . . . .
O2 O 0.7649(4) 0.40654(19) 0.61197(10) 0.0646(6) Uani 1 1 d . . . . .
O4 O 0.7430(4) 0.9094(2) 0.92029(11) 0.0687(6) Uani 1 1 d . . . . .
O1 O 0.7333(4) 0.3407(2) 0.47948(11) 0.0705(7) Uani 1 1 d . . . . .
O5 O 0.7508(4) 0.9650(2) 0.81511(11) 0.0705(7) Uani 1 1 d . . . . .
O6 O 0.5817(4) 0.6285(2) 0.21905(11) 0.0760(7) Uani 1 1 d . . . . .
O7 O 0.6944(4) 0.4949(3) 0.13404(11) 0.0761(8) Uani 1 1 d . . . . .
O8 O 0.7554(5) 0.2448(3) -0.14243(13) 0.0962(10) Uani 1 1 d . . . . .
N1 N 0.7748(4) 0.3807(2) -0.02194(13) 0.0631(7) Uani 1 1 d . . . . .
N2 N 0.7107(4) 0.9625(3) 1.08554(13) 0.0678(8) Uani 1 1 d . . . . .
C28 C 0.7145(5) 0.4414(3) 0.48418(14) 0.0548(7) Uani 1 1 d . . . . .
C27 C 0.7131(5) 0.5172(3) 0.53932(14) 0.0562(7) Uani 1 1 d . . . . .
H27 H 0.691913 0.586828 0.536301 0.067 Uiso 1 1 calc R . . . .
C29 C 0.6981(5) 0.4791(3) 0.42607(14) 0.0570(7) Uani 1 1 d . . . . .
H29 H 0.661062 0.545161 0.425385 0.068 Uiso 1 1 calc R . . . .
C26 C 0.7406(4) 0.4980(3) 0.59843(14) 0.0530(7) Uani 1 1 d . . . . .
C21 C 0.7591(5) 0.7769(3) 0.76168(14) 0.0566(7) Uani 1 1 d . . . . .
H21 H 0.763284 0.797583 0.723976 0.068 Uiso 1 1 calc R . . . .
C17 C 0.7475(5) 0.8251(3) 0.87105(15) 0.0568(7) Uani 1 1 d . . . . .
O3 O 0.7956(7) 0.9830(5) 1.21498(15) 0.1307(16) Uani 1 1 d . . . . .
C36 C 0.6570(4) 0.5303(3) 0.29760(14) 0.0549(7) Uani 1 1 d . . . . .
H36 H 0.615867 0.577512 0.327837 0.066 Uiso 1 1 calc R . . . .
C20 C 0.7602(5) 0.6670(3) 0.76426(15) 0.0585(8) Uani 1 1 d . . . . .
C24 C 0.7633(5) 0.5814(3) 0.70894(15) 0.0588(8) Uani 1 1 d . . . . .
H24 H 0.781124 0.512914 0.715471 0.071 Uiso 1 1 calc R . . . .
C31 C 0.7262(5) 0.4427(3) 0.31266(14) 0.0582(8) Uani 1 1 d . . . . .
C30 C 0.7354(5) 0.4200(3) 0.37447(15) 0.0596(8) Uani 1 1 d . . . . .
H30 H 0.772582 0.355089 0.378224 0.071 Uiso 1 1 calc R . . . .
C25 C 0.7436(5) 0.5907(3) 0.65108(15) 0.0593(8) Uani 1 1 d . . . . .
H25 H 0.730969 0.659249 0.643150 0.071 Uiso 1 1 calc R . . . .
C35 C 0.6493(5) 0.5474(3) 0.23805(15) 0.0573(7) Uani 1 1 d . . . . .
C22 C 0.7518(4) 0.8559(3) 0.81365(14) 0.0543(7) Uani 1 1 d . . . . .
C34 C 0.7105(5) 0.4747(3) 0.19256(15) 0.0635(8) Uani 1 1 d . . . . .
C2 C 0.9077(5) 0.2058(3) 0.62196(18) 0.0666(9) Uani 1 1 d . . . . .
C3 C 1.0198(5) 0.2590(3) 0.58730(18) 0.0688(9) Uani 1 1 d . . . . .
H3 H 1.109054 0.317466 0.607668 0.083 Uiso 1 1 calc R . . . .
C4 C 1.0000(5) 0.2256(4) 0.52221(19) 0.0754(10) Uani 1 1 d . . . . .
H4 H 1.076089 0.262897 0.500657 0.090 Uiso 1 1 calc R . . . .
C5 C 0.8664(5) 0.1362(4) 0.4888(2) 0.0747(10) Uani 1 1 d . . . . .
C6 C 0.7563(5) 0.0814(3) 0.5236(2) 0.0732(11) Uani 1 1 d . . . . .
H6 H 0.669123 0.021428 0.503474 0.088 Uiso 1 1 calc R . . . .
C19 C 0.7536(6) 0.6379(3) 0.82049(16) 0.0717(10) Uani 1 1 d . . . . .
H19 H 0.753751 0.564470 0.822930 0.086 Uiso 1 1 calc R . . . .
C15 C 0.7498(6) 0.9858(3) 1.02685(16) 0.0694(9) Uani 1 1 d . . . . .
H15A H 0.864178 1.031381 1.032527 0.083 Uiso 1 1 calc R . . . .
H15B H 0.670317 1.027967 1.012500 0.083 Uiso 1 1 calc R . . . .
C32 C 0.7878(6) 0.3740(4) 0.26743(17) 0.0705(10) Uani 1 1 d . . . . .
H32 H 0.835125 0.316092 0.277230 0.085 Uiso 1 1 calc R . . . .
C16 C 0.7391(6) 0.8807(3) 0.97881(16) 0.0678(9) Uani 1 1 d . . . . .
H16A H 0.834704 0.846390 0.987905 0.081 Uiso 1 1 calc R . . . .
H16B H 0.633969 0.827911 0.978497 0.081 Uiso 1 1 calc R . . . .
C7 C 0.7762(5) 0.1164(3) 0.5894(2) 0.0694(9) Uani 1 1 d . . . . .
H7 H 0.700543 0.079321 0.611179 0.083 Uiso 1 1 calc R . . . .
C18 C 0.7466(6) 0.7161(3) 0.87349(16) 0.0718(10) Uani 1 1 d . . . . .
H18 H 0.741295 0.694581 0.910953 0.086 Uiso 1 1 calc R . . . .
C37 C 0.5334(7) 0.7092(4) 0.2648(2) 0.0863(13) Uani 1 1 d . . . . .
H37A H 0.492110 0.763546 0.245812 0.130 Uiso 1 1 calc GR . . . .
H37B H 0.630666 0.745751 0.295272 0.130 Uiso 1 1 calc GR . . . .
H37C H 0.444751 0.672988 0.284304 0.130 Uiso 1 1 calc GR . . . .
C39 C 0.7079(7) 0.4486(4) 0.02674(17) 0.0790(12) Uani 1 1 d . . . . .
H39A H 0.585470 0.439524 0.015925 0.095 Uiso 1 1 calc R . . . .
H39B H 0.760065 0.526715 0.031095 0.095 Uiso 1 1 calc R . . . .
C38 C 0.7445(6) 0.4149(4) 0.08759(16) 0.0744(11) Uani 1 1 d . . . . .
H38A H 0.679773 0.340419 0.085738 0.089 Uiso 1 1 calc R . . . .
H38B H 0.865229 0.415472 0.096642 0.089 Uiso 1 1 calc R . . . .
C33 C 0.7803(6) 0.3900(4) 0.20785(16) 0.0732(10) Uani 1 1 d . . . . .
H33 H 0.822856 0.343005 0.177943 0.088 Uiso 1 1 calc R . . . .
C23 C 0.7557(7) 1.0001(4) 0.75856(19) 0.0824(13) Uani 1 1 d . . . . .
H23A H 0.659805 0.956820 0.729166 0.124 Uiso 1 1 calc GR . . . .
H23B H 0.859901 0.989587 0.742742 0.124 Uiso 1 1 calc GR . . . .
H23C H 0.750600 1.077788 0.765478 0.124 Uiso 1 1 calc GR . . . .
C40 C 0.6802(7) 0.2668(4) -0.0395(2) 0.0796(11) Uani 1 1 d . . . . .
H40A H 0.561695 0.265687 -0.053639 0.095 Uiso 1 1 calc R . . . .
H40B H 0.683211 0.233477 -0.003812 0.095 Uiso 1 1 calc R . . . .
C14 C 0.8295(6) 0.9019(4) 1.11083(19) 0.0835(12) Uani 1 1 d . . . . .
H14A H 0.945568 0.944649 1.115556 0.100 Uiso 1 1 calc R . . . .
H14B H 0.822363 0.830674 1.082480 0.100 Uiso 1 1 calc R . . . .
C41 C 0.7535(8) 0.2000(4) -0.0897(2) 0.0902(14) Uani 1 1 d . . . . .
H41A H 0.869402 0.197108 -0.074360 0.108 Uiso 1 1 calc R . . . .
H41B H 0.686668 0.124104 -0.100850 0.108 Uiso 1 1 calc R . . . .
C1 C 0.9226(6) 0.2512(5) 0.6909(2) 0.0870(13) Uani 1 1 d . . . . .
H1A H 0.951850 0.331350 0.699820 0.130 Uiso 1 1 calc GR . . . .
H1B H 1.010041 0.223506 0.711824 0.130 Uiso 1 1 calc GR . . . .
H1C H 0.815362 0.227489 0.704848 0.130 Uiso 1 1 calc GR . . . .
C11 C 0.7149(7) 1.0662(5) 1.1296(2) 0.0961(15) Uani 1 1 d . . . . .
H11A H 0.630488 1.104357 1.114502 0.115 Uiso 1 1 calc R . . . .
H11B H 0.826793 1.114856 1.135023 0.115 Uiso 1 1 calc R . . . .
C43 C 0.7740(9) 0.4268(4) -0.07722(19) 0.0997(18) Uani 1 1 d . . . . .
H43A H 0.842960 0.502130 -0.067156 0.120 Uiso 1 1 calc R . . . .
H43B H 0.658092 0.430350 -0.092135 0.120 Uiso 1 1 calc R . . . .
C42 C 0.8445(10) 0.3546(4) -0.1267(2) 0.112(2) Uani 1 1 d . . . . .
H42A H 0.841585 0.385443 -0.163252 0.134 Uiso 1 1 calc R . . . .
H42B H 0.963134 0.356244 -0.112412 0.134 Uiso 1 1 calc R . . . .
C12 C 0.6758(9) 1.0386(7) 1.1919(2) 0.126(2) Uani 1 1 d . . . . .
H12A H 0.677362 1.107255 1.221637 0.151 Uiso 1 1 calc R . . . .
H12B H 0.562270 0.991922 1.186289 0.151 Uiso 1 1 calc R . . . .
C8 C 0.8396(8) 0.1105(6) 0.4182(2) 0.114(2) Uani 1 1 d . . . . .
H8 H 0.851406 0.186710 0.411696 0.137 Uiso 1 1 calc R . . . .
C13 C 0.7874(10) 0.8826(6) 1.1723(2) 0.122(2) Uani 1 1 d . . . . .
H13A H 0.673222 0.836855 1.166930 0.147 Uiso 1 1 calc R . . . .
H13B H 0.866913 0.842037 1.188339 0.147 Uiso 1 1 calc R . . . .
C10 C 0.6631(10) 0.0652(8) 0.3905(3) 0.151(3) Uani 1 1 d . . . . .
H10A H 0.633960 -0.012599 0.391037 0.227 Uiso 1 1 calc GR . . . .
H10B H 0.649090 0.073614 0.348554 0.227 Uiso 1 1 calc GR . . . .
H10C H 0.589427 0.104710 0.413582 0.227 Uiso 1 1 calc GR . . . .
C9 C 0.9732(16) 0.0816(15) 0.3924(4) 0.260(9) Uani 1 1 d . . . . .
H9A H 1.023929 0.139419 0.373128 0.390 Uiso 1 1 calc GR . . . .
H9B H 0.935194 0.012946 0.361761 0.390 Uiso 1 1 calc GR . . . .
H9C H 1.056197 0.071781 0.423638 0.390 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 2.4764(8) . ?
Ru1 O2 2.062(2) . ?
Ru1 O1 2.057(2) . ?
Ru1 C2 2.175(4) . ?
Ru1 C3 2.151(4) . ?
Ru1 C4 2.147(4) . ?
Ru1 C5 2.182(4) . ?
Ru1 C6 2.169(4) . ?
Ru1 C7 2.156(4) . ?
O2 C26 1.282(4) . ?
O4 C17 1.368(4) . ?
O4 C16 1.423(4) . ?
O1 C28 1.278(4) . ?
O5 C22 1.358(4) . ?
O5 C23 1.418(5) . ?
O6 C35 1.353(4) . ?
O6 C37 1.419(5) . ?
O7 C34 1.377(4) . ?
O7 C38 1.429(4) . ?
O8 C41 1.401(6) . ?
O8 C42 1.383(6) . ?
N1 C39 1.447(5) . ?
N1 C40 1.441(5) . ?
N1 C43 1.462(5) . ?
N2 C15 1.447(5) . ?
N2 C14 1.461(6) . ?
N2 C11 1.452(5) . ?
C28 C27 1.395(4) . ?
C28 C29 1.467(4) . ?
C27 H27 0.9300 . ?
C27 C26 1.391(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.328(5) . ?
C26 C25 1.468(4) . ?
C21 H21 0.9300 . ?
C21 C20 1.387(5) . ?
C21 C22 1.376(4) . ?
C17 C22 1.411(5) . ?
C17 C18 1.372(5) . ?
O3 C12 1.403(9) . ?
O3 C13 1.399(8) . ?
C36 H36 0.9300 . ?
C36 C31 1.399(5) . ?
C36 C35 1.384(5) . ?
C20 C24 1.466(4) . ?
C20 C19 1.377(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.315(5) . ?
C31 C30 1.460(5) . ?
C31 C32 1.379(5) . ?
C30 H30 0.9300 . ?
C25 H25 0.9300 . ?
C35 C34 1.408(5) . ?
C34 C33 1.371(6) . ?
C2 C3 1.404(5) . ?
C2 C7 1.408(6) . ?
C2 C1 1.512(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.411(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.422(6) . ?
C5 C6 1.407(6) . ?
C5 C8 1.527(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.427(6) . ?
C19 H19 0.9300 . ?
C19 C18 1.386(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.500(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.380(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C7 H7 0.9300 . ?
C18 H18 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C38 1.517(5) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C33 H33 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.492(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C13 1.497(7) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.543(8) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 C42 1.502(6) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C8 H8 0.9800 . ?
C8 C10 1.452(9) . ?
C8 C9 1.338(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 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 Cl1 85.05(8) . . ?
O2 Ru1 C2 89.38(13) . . ?
O2 Ru1 C3 91.34(13) . . ?
O2 Ru1 C4 118.97(14) . . ?
O2 Ru1 C5 157.21(15) . . ?
O2 Ru1 C6 154.30(16) . . ?
O2 Ru1 C7 115.94(14) . . ?
O1 Ru1 Cl1 85.80(9) . . ?
O1 Ru1 O2 88.53(9) . . ?
O1 Ru1 C2 154.93(15) . . ?
O1 Ru1 C3 117.23(14) . . ?
O1 Ru1 C4 90.12(15) . . ?
O1 Ru1 C5 89.34(15) . . ?
O1 Ru1 C6 116.86(15) . . ?
O1 Ru1 C7 155.35(14) . . ?
C2 Ru1 Cl1 118.89(11) . . ?
C2 Ru1 C5 83.05(16) . . ?
C3 Ru1 Cl1 156.64(11) . . ?
C3 Ru1 C2 37.86(15) . . ?
C3 Ru1 C5 69.61(16) . . ?
C3 Ru1 C6 80.78(15) . . ?
C3 Ru1 C7 67.82(15) . . ?
C4 Ru1 Cl1 155.56(11) . . ?
C4 Ru1 C2 69.22(16) . . ?
C4 Ru1 C3 38.33(15) . . ?
C4 Ru1 C5 38.34(15) . . ?
C4 Ru1 C6 67.91(16) . . ?
C4 Ru1 C7 80.78(17) . . ?
C5 Ru1 Cl1 117.41(11) . . ?
C6 Ru1 Cl1 92.56(11) . . ?
C6 Ru1 C2 69.40(16) . . ?
C6 Ru1 C5 37.72(17) . . ?
C7 Ru1 Cl1 93.05(11) . . ?
C7 Ru1 C2 37.94(15) . . ?
C7 Ru1 C5 69.33(17) . . ?
C7 Ru1 C6 38.52(17) . . ?
C26 O2 Ru1 126.3(2) . . ?
C17 O4 C16 116.5(3) . . ?
C28 O1 Ru1 127.2(2) . . ?
C22 O5 C23 117.6(3) . . ?
C35 O6 C37 117.6(3) . . ?
C34 O7 C38 115.0(3) . . ?
C42 O8 C41 109.7(4) . . ?
C39 N1 C43 111.2(3) . . ?
C40 N1 C39 112.8(4) . . ?
C40 N1 C43 108.0(3) . . ?
C15 N2 C14 112.1(3) . . ?
C15 N2 C11 109.9(4) . . ?
C11 N2 C14 109.4(3) . . ?
O1 C28 C27 125.6(3) . . ?
O1 C28 C29 115.9(3) . . ?
C27 C28 C29 118.5(3) . . ?
C28 C27 H27 117.1 . . ?
C26 C27 C28 125.8(3) . . ?
C26 C27 H27 117.1 . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.8(3) . . ?
C30 C29 H29 119.6 . . ?
O2 C26 C27 126.4(3) . . ?
O2 C26 C25 115.9(3) . . ?
C27 C26 C25 117.7(3) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C22 C21 C20 121.5(3) . . ?
O4 C17 C22 115.4(3) . . ?
O4 C17 C18 125.5(3) . . ?
C18 C17 C22 119.1(3) . . ?
C13 O3 C12 108.4(4) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C31 120.5(3) . . ?
C21 C20 C24 122.0(3) . . ?
C19 C20 C21 118.4(3) . . ?
C19 C20 C24 119.6(3) . . ?
C20 C24 H24 116.4 . . ?
C25 C24 C20 127.2(3) . . ?
C25 C24 H24 116.4 . . ?
C36 C31 C30 122.8(3) . . ?
C32 C31 C36 119.0(3) . . ?
C32 C31 C30 118.2(3) . . ?
C29 C30 C31 129.0(3) . . ?
C29 C30 H30 115.5 . . ?
C31 C30 H30 115.5 . . ?
C26 C25 H25 118.4 . . ?
C24 C25 C26 123.2(3) . . ?
C24 C25 H25 118.4 . . ?
O6 C35 C36 124.6(3) . . ?
O6 C35 C34 116.2(3) . . ?
C36 C35 C34 119.2(3) . . ?
O5 C22 C21 125.1(3) . . ?
O5 C22 C17 115.4(3) . . ?
C21 C22 C17 119.4(3) . . ?
O7 C34 C35 116.0(3) . . ?
C33 C34 O7 124.0(3) . . ?
C33 C34 C35 120.0(3) . . ?
C3 C2 Ru1 70.2(2) . . ?
C3 C2 C7 117.4(4) . . ?
C3 C2 C1 119.8(4) . . ?
C7 C2 Ru1 70.3(2) . . ?
C7 C2 C1 122.6(4) . . ?
C1 C2 Ru1 126.4(3) . . ?
Ru1 C3 H3 130.9 . . ?
C2 C3 Ru1 72.0(2) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.4(4) . . ?
C4 C3 Ru1 70.7(2) . . ?
C4 C3 H3 119.3 . . ?
Ru1 C4 H4 130.4 . . ?
C3 C4 Ru1 71.0(2) . . ?
C3 C4 H4 119.2 . . ?
C3 C4 C5 121.6(4) . . ?
C5 C4 Ru1 72.2(2) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 Ru1 69.5(2) . . ?
C4 C5 C8 119.6(4) . . ?
C6 C5 Ru1 70.6(2) . . ?
C6 C5 C4 116.9(4) . . ?
C6 C5 C8 123.3(4) . . ?
C8 C5 Ru1 126.3(4) . . ?
Ru1 C6 H6 131.6 . . ?
C5 C6 Ru1 71.7(2) . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.1(4) . . ?
C7 C6 Ru1 70.2(2) . . ?
C7 C6 H6 119.4 . . ?
C20 C19 H19 119.4 . . ?
C20 C19 C18 121.2(3) . . ?
C18 C19 H19 119.4 . . ?
N2 C15 H15A 109.2 . . ?
N2 C15 H15B 109.2 . . ?
N2 C15 C16 111.9(3) . . ?
H15A C15 H15B 107.9 . . ?
C16 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C31 C32 H32 119.5 . . ?
C31 C32 C33 121.0(4) . . ?
C33 C32 H32 119.5 . . ?
O4 C16 C15 108.1(3) . . ?
O4 C16 H16A 110.1 . . ?
O4 C16 H16B 110.1 . . ?
C15 C16 H16A 110.1 . . ?
C15 C16 H16B 110.1 . . ?
H16A C16 H16B 108.4 . . ?
Ru1 C7 H7 130.5 . . ?
C2 C7 Ru1 71.8(2) . . ?
C2 C7 C6 121.5(4) . . ?
C2 C7 H7 119.3 . . ?
C6 C7 Ru1 71.2(2) . . ?
C6 C7 H7 119.3 . . ?
C17 C18 C19 120.4(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
O6 C37 H37A 109.5 . . ?
O6 C37 H37B 109.5 . . ?
O6 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N1 C39 H39A 109.5 . . ?
N1 C39 H39B 109.5 . . ?
N1 C39 C38 110.5(3) . . ?
H39A C39 H39B 108.1 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
O7 C38 C39 106.6(3) . . ?
O7 C38 H38A 110.4 . . ?
O7 C38 H38B 110.4 . . ?
C39 C38 H38A 110.4 . . ?
C39 C38 H38B 110.4 . . ?
H38A C38 H38B 108.6 . . ?
C34 C33 C32 120.3(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C40 H40A 109.5 . . ?
N1 C40 H40B 109.5 . . ?
N1 C40 C41 110.9(4) . . ?
H40A C40 H40B 108.0 . . ?
C41 C40 H40A 109.5 . . ?
C41 C40 H40B 109.5 . . ?
N2 C14 H14A 109.6 . . ?
N2 C14 H14B 109.6 . . ?
N2 C14 C13 110.2(4) . . ?
H14A C14 H14B 108.1 . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
O8 C41 C40 112.4(4) . . ?
O8 C41 H41A 109.1 . . ?
O8 C41 H41B 109.1 . . ?
C40 C41 H41A 109.1 . . ?
C40 C41 H41B 109.1 . . ?
H41A C41 H41B 107.9 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N2 C11 H11A 110.0 . . ?
N2 C11 H11B 110.0 . . ?
N2 C11 C12 108.6(5) . . ?
H11A C11 H11B 108.4 . . ?
C12 C11 H11A 110.0 . . ?
C12 C11 H11B 110.0 . . ?
N1 C43 H43A 109.7 . . ?
N1 C43 H43B 109.7 . . ?
N1 C43 C42 109.8(4) . . ?
H43A C43 H43B 108.2 . . ?
C42 C43 H43A 109.7 . . ?
C42 C43 H43B 109.7 . . ?
O8 C42 C43 113.2(5) . . ?
O8 C42 H42A 108.9 . . ?
O8 C42 H42B 108.9 . . ?
C43 C42 H42A 108.9 . . ?
C43 C42 H42B 108.9 . . ?
H42A C42 H42B 107.8 . . ?
O3 C12 C11 111.4(5) . . ?
O3 C12 H12A 109.3 . . ?
O3 C12 H12B 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C5 C8 H8 99.6 . . ?
C10 C8 C5 114.1(5) . . ?
C10 C8 H8 99.6 . . ?
C9 C8 C5 114.2(6) . . ?
C9 C8 H8 99.6 . . ?
C9 C8 C10 123.4(8) . . ?
O3 C13 C14 111.9(5) . . ?
O3 C13 H13A 109.2 . . ?
O3 C13 H13B 109.2 . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
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 . . ?
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 . . ?

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 C26 C27 -2.2(5) . . . . ?
Ru1 O2 C26 C25 178.3(2) . . . . ?
Ru1 O1 C28 C27 1.1(6) . . . . ?
Ru1 O1 C28 C29 179.3(2) . . . . ?
Ru1 C2 C3 C4 -52.7(4) . . . . ?
Ru1 C2 C7 C6 53.2(3) . . . . ?
Ru1 C3 C4 C5 -53.7(4) . . . . ?
Ru1 C4 C5 C6 -54.0(3) . . . . ?
Ru1 C4 C5 C8 120.9(5) . . . . ?
Ru1 C5 C6 C7 -52.0(3) . . . . ?
Ru1 C5 C8 C10 -63.7(8) . . . . ?
Ru1 C5 C8 C9 146.6(10) . . . . ?
Ru1 C6 C7 C2 -53.5(3) . . . . ?
O2 C26 C25 C24 -2.5(5) . . . . ?
O4 C17 C22 O5 -0.1(5) . . . . ?
O4 C17 C22 C21 179.0(3) . . . . ?
O4 C17 C18 C19 -179.2(4) . . . . ?
O1 C28 C27 C26 3.5(6) . . . . ?
O1 C28 C29 C30 -13.1(5) . . . . ?
O6 C35 C34 O7 0.1(5) . . . . ?
O6 C35 C34 C33 -179.7(4) . . . . ?
O7 C34 C33 C32 -178.5(4) . . . . ?
N1 C39 C38 O7 172.7(4) . . . . ?
N1 C40 C41 O8 -58.2(6) . . . . ?
N1 C43 C42 O8 57.7(7) . . . . ?
N2 C15 C16 O4 167.8(3) . . . . ?
N2 C14 C13 O3 -59.2(7) . . . . ?
N2 C11 C12 O3 59.5(6) . . . . ?
C28 C27 C26 O2 -2.9(6) . . . . ?
C28 C27 C26 C25 176.6(3) . . . . ?
C28 C29 C30 C31 179.5(4) . . . . ?
C27 C28 C29 C30 165.2(4) . . . . ?
C27 C26 C25 C24 177.9(4) . . . . ?
C29 C28 C27 C26 -174.6(3) . . . . ?
C21 C20 C24 C25 -9.3(6) . . . . ?
C21 C20 C19 C18 -0.3(7) . . . . ?
C17 O4 C16 C15 175.2(3) . . . . ?
C36 C31 C30 C29 -6.5(6) . . . . ?
C36 C31 C32 C33 -0.7(6) . . . . ?
C36 C35 C34 O7 178.3(3) . . . . ?
C36 C35 C34 C33 -1.5(6) . . . . ?
C20 C21 C22 O5 179.8(3) . . . . ?
C20 C21 C22 C17 0.8(5) . . . . ?
C20 C24 C25 C26 -177.0(3) . . . . ?
C20 C19 C18 C17 -0.5(7) . . . . ?
C24 C20 C19 C18 -178.5(4) . . . . ?
C31 C36 C35 O6 178.6(3) . . . . ?
C31 C36 C35 C34 0.6(5) . . . . ?
C31 C32 C33 C34 -0.2(7) . . . . ?
C30 C31 C32 C33 179.0(4) . . . . ?
C35 C36 C31 C30 -179.2(3) . . . . ?
C35 C36 C31 C32 0.5(5) . . . . ?
C35 C34 C33 C32 1.4(7) . . . . ?
C22 C21 C20 C24 178.3(3) . . . . ?
C22 C21 C20 C19 0.1(6) . . . . ?
C22 C17 C18 C19 1.3(6) . . . . ?
C34 O7 C38 C39 176.9(4) . . . . ?
C2 C3 C4 Ru1 53.3(4) . . . . ?
C2 C3 C4 C5 -0.4(7) . . . . ?
C3 C2 C7 Ru1 -53.7(3) . . . . ?
C3 C2 C7 C6 -0.4(6) . . . . ?
C3 C4 C5 Ru1 53.1(4) . . . . ?
C3 C4 C5 C6 -0.9(7) . . . . ?
C3 C4 C5 C8 174.1(5) . . . . ?
C4 C5 C6 Ru1 53.5(4) . . . . ?
C4 C5 C6 C7 1.5(6) . . . . ?
C4 C5 C8 C10 -149.0(7) . . . . ?
C4 C5 C8 C9 61.4(11) . . . . ?
C5 C6 C7 Ru1 52.6(4) . . . . ?
C5 C6 C7 C2 -0.9(6) . . . . ?
C6 C5 C8 C10 25.7(9) . . . . ?
C6 C5 C8 C9 -124.0(10) . . . . ?
C19 C20 C24 C25 168.9(4) . . . . ?
C15 N2 C14 C13 178.4(4) . . . . ?
C15 N2 C11 C12 -179.0(4) . . . . ?
C32 C31 C30 C29 173.8(4) . . . . ?
C16 O4 C17 C22 -179.8(3) . . . . ?
C16 O4 C17 C18 0.7(6) . . . . ?
C7 C2 C3 Ru1 53.7(3) . . . . ?
C7 C2 C3 C4 1.1(6) . . . . ?
C18 C17 C22 O5 179.4(4) . . . . ?
C18 C17 C22 C21 -1.5(6) . . . . ?
C37 O6 C35 C36 7.6(6) . . . . ?
C37 O6 C35 C34 -174.3(4) . . . . ?
C39 N1 C40 C41 -180.0(4) . . . . ?
C39 N1 C43 C42 179.9(5) . . . . ?
C38 O7 C34 C35 -175.2(4) . . . . ?
C38 O7 C34 C33 4.6(6) . . . . ?
C23 O5 C22 C21 0.7(6) . . . . ?
C23 O5 C22 C17 179.8(4) . . . . ?
C40 N1 C39 C38 70.6(5) . . . . ?
C40 N1 C43 C42 -55.9(6) . . . . ?
C14 N2 C15 C16 60.7(5) . . . . ?
C14 N2 C11 C12 -55.5(6) . . . . ?
C41 O8 C42 C43 -56.7(7) . . . . ?
C1 C2 C3 Ru1 -121.4(4) . . . . ?
C1 C2 C3 C4 -174.0(4) . . . . ?
C1 C2 C7 Ru1 121.3(4) . . . . ?
C1 C2 C7 C6 174.5(4) . . . . ?
C11 N2 C15 C16 -177.4(4) . . . . ?
C11 N2 C14 C13 56.1(6) . . . . ?
C43 N1 C39 C38 -167.8(4) . . . . ?
C43 N1 C40 C41 56.7(5) . . . . ?
C42 O8 C41 C40 56.4(6) . . . . ?
C12 O3 C13 C14 60.9(7) . . . . ?
C8 C5 C6 Ru1 -121.3(5) . . . . ?
C8 C5 C6 C7 -173.3(5) . . . . ?
C13 O3 C12 C11 -60.9(7) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 8 -1 0.0657 0.0283 7.9727 -1.0043 1.0101 -0.0555 0.0696
-4 -4 6 0.0968 -4.0317 -3.9926 5.9677 -0.6636 0.0512 0.7818
0 -7 10 0.0415 0.0268 -6.9190 10.0251 -0.8213 -0.5564 0.1816
0 2 -14 0.0478 -0.0707 1.9071 -14.0332 0.1583 0.8977 -0.3481
0 1 13 0.0712 0.0778 1.0787 13.0301 0.2162 -0.8771 0.3576
0 -4 -11 0.0633 -0.0792 -4.0583 -11.0247 -0.5839 0.7902 -0.3405
0 4 11 0.0788 0.0792 4.0583 11.0247 0.5839 -0.7902 0.3405
5 1 0 0.1005 5.0651 1.0482 0.0589 0.3724 -0.5004 -0.8260
-5 -1 0 0.1182 -5.0651 -1.0482 -0.0589 -0.3724 0.5004 0.8260
5 -2 -7 0.1133 5.0128 -1.9877 -6.9567 -0.0570 0.0094 -1.0482
-5 2 7 0.1476 -5.0128 1.9877 6.9567 0.0570 -0.0094 1.0482
0 -8 1 0.0460 -0.0283 -7.9727 1.0043 -1.0101 0.0555 -0.0696

_olex2_submission_special_instructions 'No special instructions were received'
