# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 2099130'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H31 N2 O9 Ru2'
_chemical_formula_sum            'C23 H31 N2 O9 Ru2'
_chemical_formula_weight         681.64
_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 0.0181 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'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.4609(5)
_cell_length_b                   8.14030(10)
_cell_length_c                   23.6002(4)
_cell_angle_alpha                90
_cell_angle_beta                 109.249(2)
_cell_angle_gamma                90
_cell_volume                     5524.77(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8446
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.5830
_cell_measurement_theta_min      3.0520
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.292
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2744
_exptl_crystal_size_max          0.365
_exptl_crystal_size_mid          0.325
_exptl_crystal_size_min          0.102
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1051
_diffrn_reflns_av_unetI/netI     0.0750
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20899
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        64.997
_diffrn_reflns_theta_max         64.997
_diffrn_reflns_theta_min         3.073
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -191.00 -11.00   1.00    1.00    -- -101.00   0.00 108.00  180
  2  ω   -122.00  -8.00   1.00    1.00    --  -32.00 -72.00 -36.00  114
  3  ω   -135.00 -13.00   1.00    1.00    -- -101.00  72.00 108.00  122
  4  ω   -135.00 -15.00   1.00    1.00    -- -101.00  72.00-180.00  120
  5  ω    -53.00  35.00   1.00    1.00    --  -32.00   0.00 108.00   88
  6  ω    -96.00 -17.00   1.00    1.00    -- -101.00  72.00-108.00   79
  7  ω    -44.00 -14.00   1.00    1.00    -- -101.00  72.00 -36.00   30
  8  ω   -191.00-161.00   1.00    1.00    -- -101.00 -72.00-108.00   30
  9  ω   -191.00-125.00   1.00    1.00    -- -101.00 -72.00  36.00   66
 10  ω    -97.00 -67.00   1.00    1.00    -- -101.00 -72.00 -36.00   30
 11  ω   -135.00-105.00   1.00    1.00    -- -101.00  72.00  36.00   30
 12  ω   -191.00 -58.00   1.00    1.00    -- -101.00   0.00-180.00  133
 13  ω   -191.00 -69.00   1.00    1.00    -- -101.00 -72.00-180.00  122
 14  ω    -96.00 -48.00   1.00    1.00    --  -32.00   0.00  36.00   48
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0440007000
_diffrn_orient_matrix_UB_12      -0.0853562000
_diffrn_orient_matrix_UB_13      0.0415569000
_diffrn_orient_matrix_UB_21      -0.0191558000
_diffrn_orient_matrix_UB_22      0.0134989000
_diffrn_orient_matrix_UB_23      0.0526511000
_diffrn_orient_matrix_UB_31      -0.0237923000
_diffrn_orient_matrix_UB_32      -0.1683433000
_diffrn_orient_matrix_UB_33      -0.0168243000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3976
_reflns_number_total             4693
_reflns_odcompleteness_completeness 97.55
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     72.66
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.859
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.226
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4693
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0572
_refine_ls_restrained_S_all      1.092
_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)+(0.0972P)²+9.3906P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
_refine_ls_wR_factor_ref         0.1622
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C3(H3), C8(H8), C22(H22), C23(H23), C18(H18), C21(H21)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C1(H1A,H1B,H1C), C20(H20A,H20B,H20C), C11(H11A,H11B,
 H11C), C15(H15A,H15B,H15C), C6(H6A,H6B,H6C), C5(H5A,H5B,H5C), C16(H16A,H16B,
 H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.32514(2) 0.36955(5) 0.67166(2) 0.02015(19) Uani 1 1 d . . . . .
Ru2 Ru 0.39475(2) 0.25546(5) 0.59341(2) 0.02042(19) Uani 1 1 d . . . . .
O5 O 0.29755(14) 0.1416(5) 0.66699(19) 0.0252(9) Uani 1 1 d . . . . .
O4 O 0.26534(14) 0.4692(5) 0.6756(2) 0.0262(9) Uani 1 1 d . . . . .
O2 O 0.34844(13) 0.6028(5) 0.67589(19) 0.0236(9) Uani 1 1 d . . . . .
O1 O 0.37769(14) 0.2811(5) 0.6608(2) 0.0255(9) Uani 1 1 d . . . . .
O7 O 0.45736(14) 0.1501(5) 0.6395(2) 0.0294(10) Uani 1 1 d . . . . .
O3 O 0.34815(15) 0.3408(6) 0.76339(19) 0.0282(10) Uani 1 1 d . . . . .
O8 O 0.41276(16) 0.2346(5) 0.5178(2) 0.0297(10) Uani 1 1 d . . . . .
O9 O 0.36641(14) 0.0292(5) 0.5791(2) 0.0245(9) Uani 1 1 d . . . . .
O6 O 0.42153(13) 0.4837(5) 0.6019(2) 0.0257(9) Uani 1 1 d . . . . .
N2 N 0.33052(16) 0.3501(6) 0.5484(2) 0.0220(11) Uani 1 1 d . . . . .
N1 N 0.30268(16) 0.3962(6) 0.5803(2) 0.0205(10) Uani 1 1 d . . . . .
C10 C 0.2465(2) -0.0746(8) 0.6675(3) 0.0339(15) Uani 1 1 d . . . . .
H10A H 0.221372 -0.096881 0.631075 0.051 Uiso 1 1 calc R U . . .
H10B H 0.237289 -0.103993 0.701332 0.051 Uiso 1 1 calc R U . . .
H10C H 0.273226 -0.137656 0.668043 0.051 Uiso 1 1 calc R U . . .
C14 C 0.4931(2) 0.2350(8) 0.6666(3) 0.0272(14) Uani 1 1 d . . . . .
C17 C 0.4120(2) 0.1011(9) 0.4899(3) 0.0330(15) Uani 1 1 d . . . . .
C7 C 0.2290(2) 0.3888(8) 0.6754(3) 0.0288(14) Uani 1 1 d . . . . .
C9 C 0.2583(2) 0.1073(8) 0.6705(3) 0.0269(14) Uani 1 1 d . . . . .
C13 C 0.4968(2) 0.4039(9) 0.6670(3) 0.0353(16) Uani 1 1 d . . . . .
H13 H 0.525025 0.447442 0.691164 0.042 Uiso 1 1 calc R U . . .
C3 C 0.3819(2) 0.6077(8) 0.7826(3) 0.0262(14) Uani 1 1 d . . . . .
H3 H 0.399068 0.674698 0.814072 0.031 Uiso 1 1 calc R U . . .
C1 C 0.3831(2) 0.8472(8) 0.7178(3) 0.0315(15) Uani 1 1 d . . . . .
H1A H 0.408481 0.848606 0.702265 0.047 Uiso 1 1 calc R U . . .
H1B H 0.392159 0.902003 0.755965 0.047 Uiso 1 1 calc R U . . .
H1C H 0.356811 0.902588 0.690356 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3708(2) 0.4505(9) 0.7987(3) 0.0293(14) Uani 1 1 d . . . . .
C8 C 0.2249(2) 0.2188(9) 0.6749(3) 0.0332(16) Uani 1 1 d . . . . .
H8 H 0.197381 0.175710 0.677684 0.040 Uiso 1 1 calc R U . . .
C2 C 0.37035(19) 0.6749(8) 0.7254(3) 0.0242(13) Uani 1 1 d . . . . .
C20 C 0.3431(3) -0.2287(9) 0.5375(4) 0.0439(19) Uani 1 1 d . . . . .
H20A H 0.346563 -0.262383 0.577697 0.066 Uiso 1 1 calc R U . . .
H20B H 0.355411 -0.312113 0.518200 0.066 Uiso 1 1 calc R U . . .
H20C H 0.310688 -0.212633 0.515453 0.066 Uiso 1 1 calc R U . . .
C19 C 0.3686(2) -0.0725(8) 0.5390(3) 0.0314(15) Uani 1 1 d . . . . .
C11 C 0.4746(2) 0.6972(9) 0.6385(4) 0.047(2) Uani 1 1 d . . . . .
H11A H 0.488115 0.723714 0.608248 0.070 Uiso 1 1 calc R U . . .
H11B H 0.496194 0.722936 0.677378 0.070 Uiso 1 1 calc R U . . .
H11C H 0.446608 0.759884 0.631802 0.070 Uiso 1 1 calc R U . . .
C22 C 0.2646(2) 0.4454(8) 0.4844(3) 0.0279(14) Uani 1 1 d . . . . .
H22 H 0.241899 0.477306 0.448917 0.033 Uiso 1 1 calc R U . . .
C15 C 0.5351(2) 0.1351(9) 0.7001(4) 0.0380(17) Uani 1 1 d . . . . .
H15A H 0.525880 0.046260 0.720521 0.057 Uiso 1 1 calc R U . . .
H15B H 0.557086 0.203542 0.728961 0.057 Uiso 1 1 calc R U . . .
H15C H 0.549113 0.091632 0.672389 0.057 Uiso 1 1 calc R U . . .
C23 C 0.3074(2) 0.3799(8) 0.4911(3) 0.0257(14) Uani 1 1 d . . . . .
H23 H 0.318718 0.358996 0.459687 0.031 Uiso 1 1 calc R U . . .
C6 C 0.1886(2) 0.4939(9) 0.6742(4) 0.0383(17) Uani 1 1 d . . . . .
H6A H 0.198296 0.573765 0.705766 0.057 Uiso 1 1 calc R U . . .
H6B H 0.164519 0.426440 0.679727 0.057 Uiso 1 1 calc R U . . .
H6C H 0.177062 0.548979 0.636152 0.057 Uiso 1 1 calc R U . . .
C12 C 0.4632(2) 0.5172(8) 0.6355(3) 0.0264(14) Uani 1 1 d . . . . .
C5 C 0.3868(3) 0.4044(10) 0.8640(3) 0.0416(17) Uani 1 1 d . . . . .
H5A H 0.374583 0.481689 0.885772 0.062 Uiso 1 1 calc R U . . .
H5B H 0.420112 0.405918 0.879620 0.062 Uiso 1 1 calc R U . . .
H5C H 0.375748 0.296238 0.868416 0.062 Uiso 1 1 calc R U . . .
C16 C 0.4353(4) 0.1082(11) 0.4415(4) 0.058(2) Uani 1 1 d . . . . .
H16A H 0.419704 0.187633 0.411646 0.088 Uiso 1 1 calc R U . . .
H16B H 0.433577 0.002095 0.423126 0.088 Uiso 1 1 calc R U . . .
H16C H 0.467356 0.139123 0.459505 0.088 Uiso 1 1 calc R U . . .
C18 C 0.3912(3) -0.0434(10) 0.4977(3) 0.0434(18) Uani 1 1 d . . . . .
H18 H 0.392512 -0.130422 0.472782 0.052 Uiso 1 1 calc R U . . .
C21 C 0.2627(2) 0.4538(8) 0.5422(3) 0.0262(13) Uani 1 1 d . . . . .
H21 H 0.237800 0.492890 0.552803 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O5 2.025(4) . ?
Ru1 O4 2.024(4) . ?
Ru1 O2 2.018(4) . ?
Ru1 O1 1.848(4) . ?
Ru1 O3 2.057(4) . ?
Ru1 N1 2.047(5) . ?
Ru2 O1 1.842(4) . ?
Ru2 O7 2.046(4) . ?
Ru2 O8 2.039(5) . ?
Ru2 O9 2.015(4) . ?
Ru2 O6 2.012(4) . ?
Ru2 N2 2.044(5) . ?
O5 C9 1.257(8) . ?
O4 C7 1.284(8) . ?
O2 C2 1.280(7) . ?
O7 C14 1.270(8) . ?
O3 C4 1.261(8) . ?
O8 C17 1.267(8) . ?
O9 C19 1.275(8) . ?
O6 C12 1.285(7) . ?
N2 N1 1.359(7) . ?
N2 C23 1.326(8) . ?
N1 C21 1.337(8) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 C9 1.519(9) . ?
C14 C13 1.379(10) . ?
C14 C15 1.501(9) . ?
C17 C16 1.531(10) . ?
C17 C18 1.377(11) . ?
C7 C8 1.390(9) . ?
C7 C6 1.491(9) . ?
C9 C8 1.393(10) . ?
C13 H13 0.9300 . ?
C13 C12 1.397(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.407(10) . ?
C3 C2 1.391(9) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.482(9) . ?
C4 C5 1.503(10) . ?
C8 H8 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 C19 1.485(10) . ?
C19 C18 1.387(11) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 C12 1.502(10) . ?
C22 H22 0.9300 . ?
C22 C23 1.368(9) . ?
C22 C21 1.388(9) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C23 H23 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C18 H18 0.9300 . ?
C21 H21 0.9300 . ?

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
O5 Ru1 O3 86.81(18) . . ?
O5 Ru1 N1 92.94(19) . . ?
O4 Ru1 O5 90.34(17) . . ?
O4 Ru1 O3 89.81(18) . . ?
O4 Ru1 N1 90.73(18) . . ?
O2 Ru1 O5 176.18(16) . . ?
O2 Ru1 O4 85.86(16) . . ?
O2 Ru1 O3 93.60(18) . . ?
O2 Ru1 N1 86.69(18) . . ?
O1 Ru1 O5 89.91(18) . . ?
O1 Ru1 O4 174.98(19) . . ?
O1 Ru1 O2 93.84(18) . . ?
O1 Ru1 O3 95.21(18) . . ?
O1 Ru1 N1 84.24(19) . . ?
N1 Ru1 O3 179.40(19) . . ?
O1 Ru2 O7 93.85(19) . . ?
O1 Ru2 O8 178.10(19) . . ?
O1 Ru2 O9 91.23(18) . . ?
O1 Ru2 O6 91.73(18) . . ?
O1 Ru2 N2 84.92(19) . . ?
O8 Ru2 O7 87.59(19) . . ?
O8 Ru2 N2 93.70(19) . . ?
O9 Ru2 O7 88.78(17) . . ?
O9 Ru2 O8 90.04(18) . . ?
O9 Ru2 N2 88.48(18) . . ?
O6 Ru2 O7 93.33(17) . . ?
O6 Ru2 O8 86.94(18) . . ?
O6 Ru2 O9 176.24(17) . . ?
O6 Ru2 N2 89.47(18) . . ?
N2 Ru2 O7 176.98(18) . . ?
C9 O5 Ru1 125.9(4) . . ?
C7 O4 Ru1 125.7(4) . . ?
C2 O2 Ru1 123.0(4) . . ?
Ru2 O1 Ru1 131.9(2) . . ?
C14 O7 Ru2 122.3(4) . . ?
C4 O3 Ru1 122.5(4) . . ?
C17 O8 Ru2 124.2(4) . . ?
C19 O9 Ru2 126.4(4) . . ?
C12 O6 Ru2 122.9(4) . . ?
N1 N2 Ru2 118.8(4) . . ?
C23 N2 Ru2 134.0(4) . . ?
C23 N2 N1 107.2(5) . . ?
N2 N1 Ru1 120.0(4) . . ?
C21 N1 Ru1 131.2(4) . . ?
C21 N1 N2 108.7(5) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
O7 C14 C13 126.9(6) . . ?
O7 C14 C15 114.2(6) . . ?
C13 C14 C15 118.8(6) . . ?
O8 C17 C16 115.0(7) . . ?
O8 C17 C18 126.4(6) . . ?
C18 C17 C16 118.6(7) . . ?
O4 C7 C8 125.7(6) . . ?
O4 C7 C6 114.4(6) . . ?
C8 C7 C6 119.9(6) . . ?
O5 C9 C10 115.4(6) . . ?
O5 C9 C8 126.5(6) . . ?
C8 C9 C10 118.1(6) . . ?
C14 C13 H13 116.2 . . ?
C14 C13 C12 127.6(6) . . ?
C12 C13 H13 116.2 . . ?
C4 C3 H3 116.1 . . ?
C2 C3 H3 116.1 . . ?
C2 C3 C4 127.8(6) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
O3 C4 C3 126.4(6) . . ?
O3 C4 C5 115.0(6) . . ?
C3 C4 C5 118.6(6) . . ?
C7 C8 C9 125.7(6) . . ?
C7 C8 H8 117.2 . . ?
C9 C8 H8 117.2 . . ?
O2 C2 C3 126.5(6) . . ?
O2 C2 C1 113.7(6) . . ?
C3 C2 C1 119.8(6) . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
O9 C19 C20 114.8(6) . . ?
O9 C19 C18 124.7(7) . . ?
C18 C19 C20 120.4(7) . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
C23 C22 H22 127.7 . . ?
C23 C22 C21 104.6(5) . . ?
C21 C22 H22 127.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C23 C22 110.8(5) . . ?
N2 C23 H23 124.6 . . ?
C22 C23 H23 124.6 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O6 C12 C13 126.2(6) . . ?
O6 C12 C11 113.7(6) . . ?
C13 C12 C11 120.1(6) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 C18 C19 126.7(7) . . ?
C17 C18 H18 116.7 . . ?
C19 C18 H18 116.7 . . ?
N1 C21 C22 108.7(5) . . ?
N1 C21 H21 125.7 . . ?
C22 C21 H21 125.7 . . ?

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 O5 C9 C10 -178.3(4) . . . . ?
Ru1 O5 C9 C8 3.9(9) . . . . ?
Ru1 O4 C7 C8 2.7(9) . . . . ?
Ru1 O4 C7 C6 -175.7(4) . . . . ?
Ru1 O2 C2 C3 0.6(8) . . . . ?
Ru1 O2 C2 C1 -178.5(4) . . . . ?
Ru1 O3 C4 C3 3.1(8) . . . . ?
Ru1 O3 C4 C5 -177.1(4) . . . . ?
Ru1 N1 C21 C22 -179.8(4) . . . . ?
Ru2 O7 C14 C13 -3.9(10) . . . . ?
Ru2 O7 C14 C15 177.3(4) . . . . ?
Ru2 O8 C17 C16 -169.2(5) . . . . ?
Ru2 O8 C17 C18 13.3(10) . . . . ?
Ru2 O9 C19 C20 -178.0(4) . . . . ?
Ru2 O9 C19 C18 -0.2(9) . . . . ?
Ru2 O6 C12 C13 5.0(9) . . . . ?
Ru2 O6 C12 C11 -175.7(5) . . . . ?
Ru2 N2 N1 Ru1 -0.3(6) . . . . ?
Ru2 N2 N1 C21 -179.9(4) . . . . ?
Ru2 N2 C23 C22 -180.0(4) . . . . ?
O5 Ru1 O1 Ru2 96.2(3) . . . . ?
O5 C9 C8 C7 0.8(12) . . . . ?
O4 C7 C8 C9 -4.4(12) . . . . ?
O2 Ru1 O1 Ru2 -83.0(3) . . . . ?
O7 Ru2 O1 Ru1 179.4(3) . . . . ?
O7 C14 C13 C12 -3.7(12) . . . . ?
O3 Ru1 O1 Ru2 -177.0(3) . . . . ?
O8 C17 C18 C19 -2.5(13) . . . . ?
O9 Ru2 O1 Ru1 -91.7(3) . . . . ?
O9 C19 C18 C17 -4.9(12) . . . . ?
O6 Ru2 O1 Ru1 86.0(3) . . . . ?
N2 Ru2 O1 Ru1 -3.4(3) . . . . ?
N2 N1 C21 C22 -0.2(7) . . . . ?
N1 Ru1 O1 Ru2 3.2(3) . . . . ?
N1 N2 C23 C22 0.1(7) . . . . ?
C10 C9 C8 C7 -177.0(7) . . . . ?
C14 C13 C12 O6 3.1(12) . . . . ?
C14 C13 C12 C11 -176.1(7) . . . . ?
C4 C3 C2 O2 -2.5(10) . . . . ?
C4 C3 C2 C1 176.6(6) . . . . ?
C2 C3 C4 O3 0.3(10) . . . . ?
C2 C3 C4 C5 -179.5(6) . . . . ?
C20 C19 C18 C17 172.8(7) . . . . ?
C15 C14 C13 C12 175.0(7) . . . . ?
C23 N2 N1 Ru1 179.7(4) . . . . ?
C23 N2 N1 C21 0.0(6) . . . . ?
C23 C22 C21 N1 0.3(7) . . . . ?
C6 C7 C8 C9 173.9(7) . . . . ?
C16 C17 C18 C19 -180.0(8) . . . . ?
C21 C22 C23 N2 -0.2(7) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 79.7 16.8 ?
2 0.000 0.000 0.500 79.7 16.8 ?
3 0.500 0.500 0.000 79.7 16.8 ?
4 0.500 0.500 0.500 79.7 16.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.676
_oxdiff_exptl_absorpt_empirical_full_min 0.389
####################################################################### 
# 
# 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_2d
_database_code_depnum_ccdc_archive 'CCDC 2099136'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H33 N2 O9 Ru2'
_chemical_formula_sum            'C27 H33 N2 O9 Ru2'
_chemical_formula_weight         731.69
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8202(8)
_cell_length_b                   11.3874(8)
_cell_length_c                   14.8695(10)
_cell_angle_alpha                110.833(6)
_cell_angle_beta                 96.149(6)
_cell_angle_gamma                111.215(7)
_cell_volume                     1536.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5137
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      20.2180
_cell_measurement_theta_min      2.0050
_shelx_estimated_absorpt_T_max   0.938
_shelx_estimated_absorpt_T_min   0.855
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic pinkish pink'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   pinkish
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             738
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.063
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1453
_diffrn_reflns_av_unetI/netI     0.0822
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            50543
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.016
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ    -10.27 349.73   1.00    2.00  81.02  -9.84  31.50    --   360
  2  ω    -66.91 -11.91   1.00    2.00    --   -9.90 113.07  83.51   55
  3  ω    -58.90  -4.90   1.00    2.00    --   -9.90  99.83-125.29   54
  4  ω    -47.88  27.12   1.00    2.00    --   -9.90  79.61 -62.09   75
  5  ω    -41.43  43.57   1.00    2.00    --   -9.90  68.26  62.38   85
  6  ω   -100.81  15.19   1.00    2.00    --   -9.84 -59.25 -51.92  116
  7  φ   -349.73  10.27   1.00    2.00   6.61  -9.84 -31.50    --   360
  8  ω   -100.81  15.19   1.00    2.00    --   -9.84 -59.25  92.08  116
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0343625000
_diffrn_orient_matrix_UB_12      0.0634554000
_diffrn_orient_matrix_UB_13      0.0437638000
_diffrn_orient_matrix_UB_21      0.0602927000
_diffrn_orient_matrix_UB_22      0.0153725000
_diffrn_orient_matrix_UB_23      -0.0168965000
_diffrn_orient_matrix_UB_31      -0.0227955000
_diffrn_orient_matrix_UB_32      0.0344771000
_diffrn_orient_matrix_UB_33      -0.0246997000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3366
_reflns_number_total             5405
_reflns_odcompleteness_completeness 88.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     33.84
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.435
_refine_diff_density_min         -0.840
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         5405
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0685
_refine_ls_restrained_S_all      1.035
_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)+(0.0980P)²+1.6409P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1660
_refine_ls_wR_factor_ref         0.1911
_refine_special_details          ?
_olex2_refinement_descriptio     
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C21) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(N2)
\\sim Ueq, Uanis(N1) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
Uanis(C22) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C3(H3), C18(H18), C8(H8), C27(H27), C13(H13), C26(H26), C24(H24),
 C25(H25)
3.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C6(H6A,H6B,H6C), C11(H11A,H11B,H11C), C1(H1A,H1B,H1C),
 C16(H16A,H16B,H16C), C5(H5A,H5B,H5C), C15(H15A,H15B,H15C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.35034(7) 0.84981(7) 0.69981(5) 0.0484(3) Uani 1 1 d . . . . .
Ru2 Ru 0.44847(7) 0.61292(7) 0.73392(5) 0.0481(3) Uani 1 1 d . . . . .
O1 O 0.4450(5) 0.7351(5) 0.6762(4) 0.0440(14) Uani 1 1 d . . . . .
O6 O 0.5731(6) 0.7736(6) 0.8651(4) 0.0524(15) Uani 1 1 d . . . . .
O4 O 0.2587(6) 0.9816(6) 0.7322(4) 0.0545(16) Uani 1 1 d . . . . .
O5 O 0.2038(6) 0.7246(6) 0.5672(4) 0.0537(16) Uani 1 1 d . . . . .
O9 O 0.3283(6) 0.4378(6) 0.6102(4) 0.0531(15) Uani 1 1 d . . . . .
O2 O 0.4755(6) 0.9785(6) 0.8371(4) 0.0533(16) Uani 1 1 d . . . . .
O3 O 0.4657(6) 0.9626(6) 0.6331(4) 0.0550(16) Uani 1 1 d . . . . .
O8 O 0.6266(6) 0.6161(6) 0.6982(4) 0.0511(15) Uani 1 1 d . . . . .
O7 O 0.4527(6) 0.4803(6) 0.7924(4) 0.0585(16) Uani 1 1 d . . . . .
N2 N 0.2726(7) 0.6304(7) 0.7718(5) 0.0486(18) Uani 1 1 d . U . . .
N1 N 0.2400(7) 0.7279(7) 0.7607(5) 0.0522(19) Uani 1 1 d . U . . .
C22 C 0.0833(10) 0.6245(10) 0.8182(7) 0.058(2) Uani 1 1 d . U . . .
C9 C 0.1201(9) 0.7589(9) 0.5275(6) 0.050(2) Uani 1 1 d . . . . .
C21 C 0.1231(10) 0.7221(11) 0.7902(7) 0.067(3) Uani 1 1 d . U . . .
H21 H 0.079376 0.780911 0.789923 0.080 Uiso 1 1 calc R U . . .
C7 C 0.1727(10) 0.9833(10) 0.6660(7) 0.058(2) Uani 1 1 d . . . . .
C2 C 0.5919(10) 1.0790(10) 0.8539(6) 0.054(2) Uani 1 1 d . . . . .
C17 C 0.6296(9) 0.5135(10) 0.6263(6) 0.053(2) Uani 1 1 d . . . . .
C3 C 0.6456(10) 1.1132(10) 0.7818(7) 0.067(3) Uani 1 1 d . . . . .
H3 H 0.737763 1.183043 0.805262 0.081 Uiso 1 1 calc R U . . .
C12 C 0.6486(10) 0.7659(11) 0.9327(6) 0.058(3) Uani 1 1 d . . . . .
C10 C 0.0224(9) 0.6479(9) 0.4296(6) 0.058(3) Uani 1 1 d . . . . .
H10A H 0.072487 0.636579 0.378352 0.087 Uiso 1 1 calc R U . . .
H10B H -0.049589 0.674345 0.410694 0.087 Uiso 1 1 calc R U . . .
H10C H -0.019689 0.559954 0.435599 0.087 Uiso 1 1 calc R U . . .
C18 C 0.5146(11) 0.3913(11) 0.5632(7) 0.068(3) Uani 1 1 d . . . . .
H18 H 0.532752 0.320575 0.517539 0.081 Uiso 1 1 calc R U . . .
C23 C 0.1731(10) 0.5623(10) 0.8083(7) 0.059(2) Uani 1 1 d . U . . .
C19 C 0.3755(10) 0.3590(10) 0.5580(6) 0.057(2) Uani 1 1 d . . . . .
C6 C 0.1488(12) 1.1140(11) 0.7059(7) 0.078(3) Uani 1 1 d . . . . .
H6A H 0.119622 1.123105 0.767215 0.116 Uiso 1 1 calc R U . . .
H6B H 0.076937 1.107304 0.655650 0.116 Uiso 1 1 calc R U . . .
H6C H 0.234399 1.195658 0.720404 0.116 Uiso 1 1 calc R U . . .
C14 C 0.5480(11) 0.5099(10) 0.8672(7) 0.063(3) Uani 1 1 d . . . . .
C8 C 0.1080(9) 0.8815(9) 0.5697(6) 0.056(2) Uani 1 1 d . . . . .
H8 H 0.048997 0.897802 0.528395 0.067 Uiso 1 1 calc R U . . .
C27 C -0.0377(12) 0.5705(11) 0.8581(7) 0.072(3) Uani 1 1 d . . . . .
H27 H -0.103414 0.607860 0.866492 0.086 Uiso 1 1 calc R U . . .
C11 C 0.7473(11) 0.9007(11) 1.0164(7) 0.077(3) Uani 1 1 d . . . . .
H11A H 0.796642 0.965229 0.989271 0.115 Uiso 1 1 calc R U . . .
H11B H 0.813394 0.885153 1.055677 0.115 Uiso 1 1 calc R U . . .
H11C H 0.696744 0.940570 1.059302 0.115 Uiso 1 1 calc R U . . .
C4 C 0.5858(11) 1.0611(10) 0.6804(7) 0.059(3) Uani 1 1 d . . . . .
C13 C 0.6441(11) 0.6434(11) 0.9328(7) 0.066(3) Uani 1 1 d . . . . .
H13 H 0.713408 0.651058 0.982443 0.079 Uiso 1 1 calc R U . . .
C26 C -0.0432(11) 0.4716(13) 0.8792(8) 0.075(3) Uani 1 1 d . . . . .
H26 H -0.116701 0.436855 0.906098 0.090 Uiso 1 1 calc R U . . .
C1 C 0.6666(10) 1.1648(10) 0.9634(6) 0.067(3) Uani 1 1 d . . . . .
H1A H 0.633715 1.235946 0.992014 0.101 Uiso 1 1 calc R U . . .
H1B H 0.765741 1.209868 0.971201 0.101 Uiso 1 1 calc R U . . .
H1C H 0.648884 1.104177 0.998255 0.101 Uiso 1 1 calc R U . . .
C16 C 0.7697(10) 0.5354(12) 0.6141(7) 0.071(3) Uani 1 1 d . . . . .
H16A H 0.827601 0.635197 0.637806 0.106 Uiso 1 1 calc R U . . .
H16B H 0.763358 0.486986 0.543301 0.106 Uiso 1 1 calc R U . . .
H16C H 0.810555 0.498467 0.653021 0.106 Uiso 1 1 calc R U . . .
C24 C 0.1650(12) 0.4569(12) 0.8303(8) 0.079(3) Uani 1 1 d . U . . .
H24 H 0.230160 0.418732 0.822463 0.094 Uiso 1 1 calc R U . . .
C5 C 0.6591(12) 1.1275(12) 0.6195(8) 0.086(4) Uani 1 1 d . . . . .
H5A H 0.665593 1.056395 0.561596 0.129 Uiso 1 1 calc R U . . .
H5B H 0.751932 1.197868 0.660455 0.129 Uiso 1 1 calc R U . . .
H5C H 0.608108 1.171860 0.596592 0.129 Uiso 1 1 calc R U . . .
C15 C 0.5481(12) 0.3855(12) 0.8825(9) 0.088(4) Uani 1 1 d . . . . .
H15A H 0.454941 0.326506 0.880784 0.133 Uiso 1 1 calc R U . . .
H15B H 0.611359 0.417526 0.947413 0.133 Uiso 1 1 calc R U . . .
H15C H 0.578104 0.331890 0.829210 0.133 Uiso 1 1 calc R U . . .
C20 C 0.2706(11) 0.2179(10) 0.4818(7) 0.076(3) Uani 1 1 d . . . . .
H20A H 0.177827 0.211875 0.481223 0.114 Uiso 1 1 calc R U . . .
H20B H 0.280697 0.145787 0.499096 0.114 Uiso 1 1 calc R U . . .
H20C H 0.284934 0.203964 0.415523 0.114 Uiso 1 1 calc R U . . .
C25 C 0.0463(13) 0.4049(12) 0.8679(8) 0.085(4) Uani 1 1 d . . . . .
H25 H 0.029596 0.328175 0.884304 0.102 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O1 1.897(5) . ?
Ru1 O4 2.033(6) . ?
Ru1 O5 2.032(5) . ?
Ru1 O2 1.998(5) . ?
Ru1 O3 2.050(6) . ?
Ru1 N1 2.024(7) . ?
Ru2 O1 1.885(5) . ?
Ru2 O6 2.021(5) . ?
Ru2 O9 2.013(6) . ?
Ru2 O8 2.044(6) . ?
Ru2 O7 2.004(6) . ?
Ru2 N2 2.098(7) . ?
O6 C12 1.275(10) . ?
O4 C7 1.291(10) . ?
O5 C9 1.276(10) . ?
O9 C19 1.261(11) . ?
O2 C2 1.283(11) . ?
O3 C4 1.276(11) . ?
O8 C17 1.286(9) . ?
O7 C14 1.285(11) . ?
N2 N1 1.356(9) . ?
N2 C23 1.370(11) . ?
N1 C21 1.370(12) . ?
C22 C21 1.270(13) . ?
C22 C23 1.386(12) . ?
C22 C27 1.514(14) . ?
C9 C10 1.493(10) . ?
C9 C8 1.374(12) . ?
C21 H21 0.9500 . ?
C7 C6 1.522(13) . ?
C7 C8 1.379(11) . ?
C2 C3 1.380(13) . ?
C2 C1 1.509(11) . ?
C17 C18 1.391(13) . ?
C17 C16 1.488(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(12) . ?
C12 C11 1.489(12) . ?
C12 C13 1.378(13) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C18 H18 0.9500 . ?
C18 C19 1.400(13) . ?
C23 C24 1.329(13) . ?
C19 C20 1.504(12) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C14 C13 1.388(13) . ?
C14 C15 1.513(14) . ?
C8 H8 0.9500 . ?
C27 H27 0.9500 . ?
C27 C26 1.255(14) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C4 C5 1.492(14) . ?
C13 H13 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.422(15) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C24 H24 0.9500 . ?
C24 C25 1.466(15) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C25 H25 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ru1 O4 176.6(2) . . ?
O1 Ru1 O5 93.4(2) . . ?
O1 Ru1 O2 92.9(2) . . ?
O1 Ru1 O3 91.2(2) . . ?
O1 Ru1 N1 85.1(3) . . ?
O4 Ru1 O3 88.1(2) . . ?
O5 Ru1 O4 90.0(2) . . ?
O5 Ru1 O3 89.7(2) . . ?
O2 Ru1 O4 83.8(2) . . ?
O2 Ru1 O5 172.7(2) . . ?
O2 Ru1 O3 94.0(3) . . ?
O2 Ru1 N1 87.5(3) . . ?
N1 Ru1 O4 95.6(3) . . ?
N1 Ru1 O5 89.1(3) . . ?
N1 Ru1 O3 176.1(3) . . ?
O1 Ru2 O6 91.6(2) . . ?
O1 Ru2 O9 95.2(2) . . ?
O1 Ru2 O8 91.3(2) . . ?
O1 Ru2 O7 178.7(2) . . ?
O1 Ru2 N2 83.7(2) . . ?
O6 Ru2 O8 85.4(2) . . ?
O6 Ru2 N2 91.7(2) . . ?
O9 Ru2 O6 173.1(2) . . ?
O9 Ru2 O8 93.4(2) . . ?
O9 Ru2 N2 90.1(3) . . ?
O8 Ru2 N2 174.2(2) . . ?
O7 Ru2 O6 89.3(2) . . ?
O7 Ru2 O9 83.8(2) . . ?
O7 Ru2 O8 87.8(2) . . ?
O7 Ru2 N2 97.2(3) . . ?
Ru2 O1 Ru1 128.4(3) . . ?
C12 O6 Ru2 125.5(6) . . ?
C7 O4 Ru1 123.7(5) . . ?
C9 O5 Ru1 124.9(5) . . ?
C19 O9 Ru2 122.3(6) . . ?
C2 O2 Ru1 122.9(5) . . ?
C4 O3 Ru1 121.7(6) . . ?
C17 O8 Ru2 122.6(6) . . ?
C14 O7 Ru2 124.4(6) . . ?
N1 N2 Ru2 119.2(5) . . ?
N1 N2 C23 105.7(7) . . ?
C23 N2 Ru2 135.1(6) . . ?
N2 N1 Ru1 121.0(5) . . ?
N2 N1 C21 109.7(7) . . ?
C21 N1 Ru1 129.2(6) . . ?
C21 C22 C23 109.5(10) . . ?
C21 C22 C27 131.9(10) . . ?
C23 C22 C27 118.7(9) . . ?
O5 C9 C10 114.4(8) . . ?
O5 C9 C8 125.9(7) . . ?
C8 C9 C10 119.5(8) . . ?
N1 C21 H21 125.9 . . ?
C22 C21 N1 108.1(9) . . ?
C22 C21 H21 125.9 . . ?
O4 C7 C6 112.1(8) . . ?
O4 C7 C8 125.8(9) . . ?
C8 C7 C6 122.1(9) . . ?
O2 C2 C3 125.3(8) . . ?
O2 C2 C1 113.5(8) . . ?
C3 C2 C1 121.1(9) . . ?
O8 C17 C18 124.8(9) . . ?
O8 C17 C16 114.2(8) . . ?
C18 C17 C16 121.0(8) . . ?
C2 C3 H3 115.0 . . ?
C2 C3 C4 129.9(10) . . ?
C4 C3 H3 115.0 . . ?
O6 C12 C11 116.1(9) . . ?
O6 C12 C13 124.6(9) . . ?
C13 C12 C11 119.3(8) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C17 C18 H18 115.8 . . ?
C17 C18 C19 128.5(9) . . ?
C19 C18 H18 115.8 . . ?
N2 C23 C22 107.0(8) . . ?
C24 C23 N2 126.2(9) . . ?
C24 C23 C22 126.8(10) . . ?
O9 C19 C18 126.3(8) . . ?
O9 C19 C20 116.0(9) . . ?
C18 C19 C20 117.6(9) . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O7 C14 C13 125.1(9) . . ?
O7 C14 C15 114.7(9) . . ?
C13 C14 C15 120.2(9) . . ?
C9 C8 C7 126.6(8) . . ?
C9 C8 H8 116.7 . . ?
C7 C8 H8 116.7 . . ?
C22 C27 H27 123.1 . . ?
C26 C27 C22 113.7(11) . . ?
C26 C27 H27 123.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C4 C3 125.0(9) . . ?
O3 C4 C5 115.0(8) . . ?
C3 C4 C5 119.9(10) . . ?
C12 C13 C14 126.2(9) . . ?
C12 C13 H13 116.9 . . ?
C14 C13 H13 116.9 . . ?
C27 C26 H26 115.8 . . ?
C27 C26 C25 128.4(13) . . ?
C25 C26 H26 115.8 . . ?
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 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C23 C24 H24 123.1 . . ?
C23 C24 C25 113.8(11) . . ?
C25 C24 H24 123.1 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C25 C24 118.6(11) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?

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 O4 C7 C6 -165.5(7) . . . . ?
Ru1 O4 C7 C8 14.3(14) . . . . ?
Ru1 O5 C9 C10 180.0(6) . . . . ?
Ru1 O5 C9 C8 -4.5(13) . . . . ?
Ru1 O2 C2 C3 0.8(13) . . . . ?
Ru1 O2 C2 C1 178.3(5) . . . . ?
Ru1 O3 C4 C3 -7.3(13) . . . . ?
Ru1 O3 C4 C5 176.7(7) . . . . ?
Ru1 N1 C21 C22 175.7(7) . . . . ?
Ru2 O6 C12 C11 171.3(6) . . . . ?
Ru2 O6 C12 C13 -8.8(13) . . . . ?
Ru2 O9 C19 C18 -14.0(13) . . . . ?
Ru2 O9 C19 C20 167.1(6) . . . . ?
Ru2 O8 C17 C18 1.8(12) . . . . ?
Ru2 O8 C17 C16 -178.8(6) . . . . ?
Ru2 O7 C14 C13 15.4(14) . . . . ?
Ru2 O7 C14 C15 -166.0(7) . . . . ?
Ru2 N2 N1 Ru1 3.9(8) . . . . ?
Ru2 N2 N1 C21 -179.5(6) . . . . ?
Ru2 N2 C23 C22 179.6(6) . . . . ?
Ru2 N2 C23 C24 -0.2(16) . . . . ?
O6 Ru2 O1 Ru1 -73.9(3) . . . . ?
O6 C12 C13 C14 -7.9(17) . . . . ?
O4 C7 C8 C9 1.8(17) . . . . ?
O5 Ru1 O1 Ru2 -105.4(3) . . . . ?
O5 C9 C8 C7 -7.3(17) . . . . ?
O9 Ru2 O1 Ru1 107.1(4) . . . . ?
O2 Ru1 O1 Ru2 70.7(4) . . . . ?
O2 C2 C3 C4 7.4(18) . . . . ?
O3 Ru1 O1 Ru2 164.8(3) . . . . ?
O8 Ru2 O1 Ru1 -159.4(3) . . . . ?
O8 C17 C18 C19 6.0(16) . . . . ?
O7 C14 C13 C12 4.3(17) . . . . ?
N2 Ru2 O1 Ru1 17.6(4) . . . . ?
N2 N1 C21 C22 -0.4(11) . . . . ?
N2 C23 C24 C25 -179.8(9) . . . . ?
N1 Ru1 O1 Ru2 -16.5(4) . . . . ?
N1 N2 C23 C22 -0.3(10) . . . . ?
N1 N2 C23 C24 179.9(10) . . . . ?
C22 C23 C24 C25 0.4(16) . . . . ?
C22 C27 C26 C25 -1.6(16) . . . . ?
C21 C22 C23 N2 0.1(11) . . . . ?
C21 C22 C23 C24 179.9(11) . . . . ?
C21 C22 C27 C26 -179.3(11) . . . . ?
C2 C3 C4 O3 -3.5(18) . . . . ?
C2 C3 C4 C5 172.4(11) . . . . ?
C17 C18 C19 O9 1.0(17) . . . . ?
C17 C18 C19 C20 179.9(9) . . . . ?
C10 C9 C8 C7 167.9(10) . . . . ?
C23 N2 N1 Ru1 -176.1(6) . . . . ?
C23 N2 N1 C21 0.5(10) . . . . ?
C23 C22 C21 N1 0.2(12) . . . . ?
C23 C22 C27 C26 0.3(13) . . . . ?
C23 C24 C25 C26 -1.5(15) . . . . ?
C6 C7 C8 C9 -178.4(10) . . . . ?
C27 C22 C21 N1 179.8(9) . . . . ?
C27 C22 C23 N2 -179.6(8) . . . . ?
C27 C22 C23 C24 0.2(16) . . . . ?
C27 C26 C25 C24 2.3(17) . . . . ?
C11 C12 C13 C14 172.0(10) . . . . ?
C1 C2 C3 C4 -169.9(10) . . . . ?
C16 C17 C18 C19 -173.4(10) . . . . ?
C15 C14 C13 C12 -174.2(10) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 163.0 25.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.538
_oxdiff_exptl_absorpt_empirical_full_min 0.719
####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 2099133'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-03-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11.5 H15.5 N O4.5 Ru'
_chemical_formula_sum            'C11.50 H15.50 N O4.50 Ru'
_chemical_formula_weight         340.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   11.5517(3)
_cell_length_b                   16.3753(4)
_cell_length_c                   14.4599(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.099(3)
_cell_angle_gamma                90
_cell_volume                     2714.32(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6797
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.2650
_cell_measurement_theta_min      3.2720
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.365
_exptl_crystal_size_mid          0.325
_exptl_crystal_size_min          0.102
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6273
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.488
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00   9.50   0.50    8.00    --  -20.00 -72.00  36.00  239
  2  ω    -98.00  19.00   0.50    8.00    --  -20.00 -72.00-108.00  234
  3  ω    -59.00 -45.00   0.50    8.00    --  -20.00  72.00-180.00   28
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0563840000
_diffrn_orient_matrix_UB_12      0.0111532000
_diffrn_orient_matrix_UB_13      -0.0101919000
_diffrn_orient_matrix_UB_21      0.0071259000
_diffrn_orient_matrix_UB_22      0.0256436000
_diffrn_orient_matrix_UB_23      0.0398369000
_diffrn_orient_matrix_UB_31      0.0245544000
_diffrn_orient_matrix_UB_32      -0.0330737000
_diffrn_orient_matrix_UB_33      0.0274092000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2222
_reflns_number_total             2334
_reflns_odcompleteness_completeness 85.24
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.05
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.382
_refine_diff_density_min         -0.318
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         2334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0200
_refine_ls_restrained_S_all      1.090
_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)+(0.0236P)²+3.3377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0502
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C8(H8), C3(H3), C11(H11)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.38679(2) 0.32843(2) 0.55511(2) 0.01723(8) Uani 1 1 d . . . . .
O3 O 0.52894(12) 0.38737(9) 0.61622(10) 0.0244(3) Uani 1 1 d . . . . .
O4 O 0.46549(13) 0.21927(8) 0.59288(10) 0.0235(3) Uani 1 1 d . . . . .
O1 O 0.250000 0.28208(11) 0.500000 0.0189(4) Uani 1 2 d S T P . .
O5 O 0.46059(13) 0.33491(8) 0.43624(10) 0.0215(3) Uani 1 1 d . . . . .
O2 O 0.32079(13) 0.32849(8) 0.67810(10) 0.0216(3) Uani 1 1 d . . . . .
C12 C 0.250000 0.56531(18) 0.500000 0.0257(7) Uani 1 2 d S T P . .
H12 H 0.250000 0.622102 0.499999 0.031 Uiso 1 2 calc R U P . .
C10 C 0.5812(2) 0.30179(16) 0.32385(17) 0.0350(6) Uani 1 1 d . . . . .
H10A H 0.523985 0.286314 0.273027 0.053 Uiso 1 1 calc R U . . .
H10B H 0.651763 0.271538 0.320468 0.053 Uiso 1 1 calc R U . . .
H10C H 0.597071 0.359170 0.320111 0.053 Uiso 1 1 calc R U . . .
C1 C 0.2944(2) 0.35465(14) 0.83250(15) 0.0287(5) Uani 1 1 d . . . . .
H1A H 0.212398 0.357086 0.811070 0.043 Uiso 1 1 calc R U . . .
H1B H 0.314354 0.397170 0.877353 0.043 Uiso 1 1 calc R U . . .
H1C H 0.312835 0.302525 0.860941 0.043 Uiso 1 1 calc R U . . .
N1 N 0.30696(14) 0.43631(10) 0.51978(11) 0.0195(4) Uani 1 1 d . . . . .
C7 C 0.5391(2) 0.18575(13) 0.54660(16) 0.0270(5) Uani 1 1 d . . . . .
C8 C 0.5751(2) 0.21458(14) 0.46446(16) 0.0288(5) Uani 1 1 d . . . . .
H8 H 0.632203 0.184060 0.440261 0.035 Uiso 1 1 calc R U . . .
C4 C 0.54098(18) 0.42100(13) 0.69679(15) 0.0239(5) Uani 1 1 d . . . . .
C5 C 0.6475(2) 0.47352(15) 0.71702(17) 0.0352(6) Uani 1 1 d . . . . .
H5A H 0.714464 0.444200 0.701647 0.053 Uiso 1 1 calc R U . . .
H5B H 0.658414 0.487492 0.781996 0.053 Uiso 1 1 calc R U . . .
H5C H 0.637662 0.522485 0.680384 0.053 Uiso 1 1 calc R U . . .
C9 C 0.53587(19) 0.28367(13) 0.41411(15) 0.0242(5) Uani 1 1 d . . . . .
C3 C 0.4639(2) 0.41247(13) 0.76197(15) 0.0259(5) Uani 1 1 d . . . . .
H3 H 0.481508 0.440471 0.817890 0.031 Uiso 1 1 calc R U . . .
C2 C 0.36201(19) 0.36582(12) 0.75187(14) 0.0216(4) Uani 1 1 d . . . . .
C11 C 0.34131(19) 0.51429(12) 0.53100(15) 0.0232(5) Uani 1 1 d . . . . .
H11 H 0.415470 0.531291 0.555911 0.028 Uiso 1 1 calc R U . . .
C6 C 0.5888(3) 0.10660(17) 0.5864(2) 0.0501(7) Uani 1 1 d . . . . .
H6A H 0.624328 0.077565 0.539556 0.075 Uiso 1 1 calc R U . . .
H6B H 0.527507 0.074009 0.606456 0.075 Uiso 1 1 calc R U . . .
H6C H 0.646456 0.117676 0.638605 0.075 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O3 2.0127(14) . ?
Ru1 O4 2.0488(14) . ?
Ru1 O1 1.8430(8) . ?
Ru1 O5 2.0137(15) . ?
Ru1 O2 2.0197(15) . ?
Ru1 N1 2.0288(16) . ?
O3 C4 1.281(3) . ?
O4 C7 1.270(3) . ?
O5 C9 1.277(3) . ?
O2 C2 1.270(2) . ?
C12 H12 0.9300 . ?
C12 C11 1.376(3) . ?
C12 C11 1.376(3) 2_556 ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 C9 1.495(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.493(3) . ?
N1 N1 1.369(3) 2_556 ?
N1 C11 1.341(3) . ?
C7 C8 1.389(3) . ?
C7 C6 1.503(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.391(3) . ?
C4 C5 1.500(3) . ?
C4 C3 1.382(3) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C3 H3 0.9300 . ?
C3 C2 1.395(3) . ?
C11 H11 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 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
O3 Ru1 O4 89.44(6) . . ?
O3 Ru1 O5 86.61(6) . . ?
O3 Ru1 O2 89.39(6) . . ?
O3 Ru1 N1 90.79(6) . . ?
O1 Ru1 O3 175.40(6) . . ?
O1 Ru1 O4 94.85(7) . . ?
O1 Ru1 O5 94.79(4) . . ?
O1 Ru1 O2 89.09(4) . . ?
O1 Ru1 N1 84.89(7) . . ?
O5 Ru1 O4 93.03(6) . . ?
O5 Ru1 O2 175.80(5) . . ?
O5 Ru1 N1 88.07(6) . . ?
O2 Ru1 O4 88.23(6) . . ?
O2 Ru1 N1 90.69(6) . . ?
N1 Ru1 O4 178.89(6) . . ?
C4 O3 Ru1 126.63(14) . . ?
C7 O4 Ru1 122.72(14) . . ?
Ru1 O1 Ru1 131.36(11) 2_556 . ?
C9 O5 Ru1 123.53(14) . . ?
C2 O2 Ru1 126.64(14) . . ?
C11 C12 H12 127.4 . . ?
C11 C12 H12 127.4 2_556 . ?
C11 C12 C11 105.3(3) 2_556 . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
N1 N1 Ru1 119.27(5) 2_556 . ?
C11 N1 Ru1 132.86(14) . . ?
C11 N1 N1 107.78(12) . 2_556 ?
O4 C7 C8 126.5(2) . . ?
O4 C7 C6 114.8(2) . . ?
C8 C7 C6 118.7(2) . . ?
C7 C8 H8 116.1 . . ?
C7 C8 C9 127.7(2) . . ?
C9 C8 H8 116.1 . . ?
O3 C4 C5 114.73(19) . . ?
O3 C4 C3 124.8(2) . . ?
C3 C4 C5 120.5(2) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O5 C9 C10 114.3(2) . . ?
O5 C9 C8 126.2(2) . . ?
C8 C9 C10 119.5(2) . . ?
C4 C3 H3 116.9 . . ?
C4 C3 C2 126.2(2) . . ?
C2 C3 H3 116.9 . . ?
O2 C2 C1 114.77(19) . . ?
O2 C2 C3 125.1(2) . . ?
C3 C2 C1 120.09(19) . . ?
C12 C11 H11 125.2 . . ?
N1 C11 C12 109.6(2) . . ?
N1 C11 H11 125.2 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 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 O3 C4 C5 -169.25(15) . . . . ?
Ru1 O3 C4 C3 9.9(3) . . . . ?
Ru1 O4 C7 C8 -1.9(3) . . . . ?
Ru1 O4 C7 C6 178.91(17) . . . . ?
Ru1 O5 C9 C10 -178.40(14) . . . . ?
Ru1 O5 C9 C8 3.0(3) . . . . ?
Ru1 O2 C2 C1 179.98(13) . . . . ?
Ru1 O2 C2 C3 -1.9(3) . . . . ?
Ru1 N1 C11 C12 -175.76(11) . . . . ?
O3 C4 C3 C2 0.8(4) . . . . ?
O4 Ru1 O1 Ru1 177.70(4) . . . 2_556 ?
O4 C7 C8 C9 -2.5(4) . . . . ?
O5 Ru1 O1 Ru1 -88.84(4) . . . 2_556 ?
O2 Ru1 O1 Ru1 89.56(4) . . . 2_556 ?
N1 Ru1 O1 Ru1 -1.22(5) . . . 2_556 ?
N1 N1 C11 C12 0.7(2) 2_556 . . . ?
C7 C8 C9 O5 2.0(4) . . . . ?
C7 C8 C9 C10 -176.6(2) . . . . ?
C4 C3 C2 O2 -5.1(4) . . . . ?
C4 C3 C2 C1 172.9(2) . . . . ?
C5 C4 C3 C2 179.9(2) . . . . ?
C11 C12 C11 N1 -0.27(10) 2_556 . . . ?
C6 C7 C8 C9 176.6(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.164
_oxdiff_exptl_absorpt_empirical_full_min 0.850
####################################################################### 
# 
# 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_2c
_database_code_depnum_ccdc_archive 'CCDC 2099135'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H35 N2 O9 Ru2'
_chemical_formula_sum            'C25 H35 N2 O9 Ru2'
_chemical_formula_weight         709.69
_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 0.0181 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'
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                   10.7709(4)
_cell_length_b                   11.4776(4)
_cell_length_c                   13.8804(7)
_cell_angle_alpha                99.002(4)
_cell_angle_beta                 105.311(4)
_cell_angle_gamma                107.152(3)
_cell_volume                     1529.46(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11700
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.6870
_cell_measurement_theta_min      3.3990
_shelx_estimated_absorpt_T_max   0.361
_shelx_estimated_absorpt_T_min   0.179
_exptl_absorpt_coefficient_mu    8.415
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.24561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic pinkish pink'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   pinkish
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             718
_exptl_crystal_size_max          0.311
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1009
_diffrn_reflns_av_unetI/netI     0.0620
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22577
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        64.982
_diffrn_reflns_theta_max         64.982
_diffrn_reflns_theta_min         3.413
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -191.00 -11.00   1.00    2.00    -- -101.00   0.00-180.00  180
  2  ω   -122.00  58.00   1.00    2.00    --  -32.00   0.00 108.00  180
  3  ω   -135.00 -11.00   1.00    2.00    -- -101.00  72.00  36.00  124
  4  ω   -135.00 -18.00   1.00    2.00    -- -101.00  72.00-108.00  117
  5  ω   -113.00 -15.00   1.00    2.00    -- -101.00  72.00 108.00   98
  6  ω   -105.00 -17.00   1.00    2.00    -- -101.00  72.00 -36.00   88
  7  ω   -112.00 -22.00   1.00    2.00    -- -101.00  72.00-180.00   90
  8  ω    -66.00 -15.00   1.00    2.00    --  -32.00  72.00-180.00   51
  9  ω    -58.00 -14.00   1.00    2.00    --  -32.00  72.00 -36.00   44
 10  ω   -191.00 -77.00   1.00    2.00    -- -101.00 -72.00 -36.00  114
 11  ω   -187.00 -79.00   1.00    2.00    -- -101.00 -72.00  36.00  108
 12  ω   -191.00-161.00   1.00    2.00    -- -101.00 -72.00 108.00   30
 13  ω    -44.00 -14.00   1.00    2.00    --  -32.00 -72.00  36.00   30
 14  ω   -189.00-125.00   1.00    2.00    -- -101.00 -72.00-108.00   64
 15  ω   -186.00-136.00   1.00    2.00    -- -101.00 -72.00-180.00   50
 16  ω   -191.00 -11.00   1.00    2.00    -- -101.00   0.00-108.00  180
 17  ω    -78.00   2.00   1.00    2.00    --  -32.00 -72.00 -36.00   80
 18  ω    -69.00 -14.00   1.00    2.00    --  -32.00 -72.00-180.00   55
 19  ω    -66.00 -12.00   1.00    2.00    --  -32.00  72.00 108.00   54
 20  ω    -80.00 -14.00   1.00    2.00    --  -32.00 -72.00-108.00   66
 21  ω    -60.00 -15.00   1.00    2.00    --  -32.00 -72.00 108.00   45
 22  ω   -168.00 -46.00   1.00    2.00    -- -101.00   0.00 108.00  122
 23  ω    -30.00  58.00   1.00    2.00    --  -32.00  72.00-108.00   88
 24  ω    -44.00 -14.00   1.00    2.00    --  -32.00  72.00  36.00   30
 25  ω    -44.00 -14.00   1.00    2.00    --  -32.00   0.00-180.00   30
 26  ω   -160.00-130.00   1.00    2.00    -- -101.00   0.00  36.00   30
 27  ω   -191.00 -11.00   1.00    2.00    -- -101.00   0.00 -36.00  180
 28  ω   -122.00 -58.00   1.00    2.00    --  -32.00   0.00-108.00   64
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1190519000
_diffrn_orient_matrix_UB_12      -0.0501285000
_diffrn_orient_matrix_UB_13      0.0292226000
_diffrn_orient_matrix_UB_21      0.1016593000
_diffrn_orient_matrix_UB_22      0.1358368000
_diffrn_orient_matrix_UB_23      0.0518356000
_diffrn_orient_matrix_UB_31      -0.0247493000
_diffrn_orient_matrix_UB_32      -0.0114729000
_diffrn_orient_matrix_UB_33      0.1030343000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4432
_reflns_number_total             5128
_reflns_odcompleteness_completeness 95.30
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     72.66
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.431
_refine_diff_density_min         -1.692
_refine_diff_density_rms         0.214
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5128
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0672
_refine_ls_restrained_S_all      1.066
_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)+(0.1376P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1075
_refine_ls_wR_factor_ref         0.1188
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C23(H23), C18(H18), C8(H8), C3(H3), C13(H13)
2.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C5(H5A,H5B,H5C), C10(H10A,H10B,H10C), C20(H20A,H20B,
 H20C), C16(H16A,H16B,H16C), C1(H1A,H1B,H1C), C25(H25A,H25B,H25C), C6(H6A,H6B,
 H6C), C11(H11A,H11B,H11C), C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.47392(4) 0.75178(3) 0.23635(3) 0.0209(2) Uani 1 1 d . . . . .
Ru2 Ru 0.19956(4) 0.59224(3) 0.29649(3) 0.0201(2) Uani 1 1 d . . . . .
O5 O 0.3515(4) 0.7375(4) 0.0929(3) 0.0253(9) Uani 1 1 d . . . . .
O2 O 0.6057(4) 0.7611(4) 0.3737(3) 0.0253(10) Uani 1 1 d . . . . .
O6 O 0.3210(4) 0.5879(4) 0.4346(3) 0.0244(10) Uani 1 1 d . . . . .
O8 O 0.1230(4) 0.7060(3) 0.3753(3) 0.0252(9) Uani 1 1 d . . . . .
O4 O 0.6397(4) 0.7966(4) 0.1854(3) 0.0305(9) Uani 1 1 d . . . . .
O7 O 0.0439(4) 0.4459(3) 0.3026(3) 0.0284(9) Uani 1 1 d . . . . .
O9 O 0.0681(4) 0.5733(4) 0.1577(3) 0.0249(9) Uani 1 1 d . . . . .
O1 O 0.3307(4) 0.7272(3) 0.2871(3) 0.0260(9) Uani 1 1 d . . . . .
O3 O 0.5132(4) 0.9427(3) 0.2700(3) 0.0289(9) Uani 1 1 d . . . . .
N2 N 0.2931(4) 0.4896(4) 0.2233(3) 0.0224(10) Uani 1 1 d . . . . .
N1 N 0.4104(5) 0.5560(4) 0.2041(4) 0.0247(10) Uani 1 1 d . . . . .
C23 C 0.3744(6) 0.3531(5) 0.1567(4) 0.0256(13) Uani 1 1 d . . . . .
H23 H 0.383817 0.277132 0.131913 0.031 Uiso 1 1 calc R U . . .
C22 C 0.4594(6) 0.4733(5) 0.1631(4) 0.0242(12) Uani 1 1 d . . . . .
C9 C 0.3939(7) 0.7894(5) 0.0269(5) 0.0307(14) Uani 1 1 d . . . . .
C24 C 0.2744(6) 0.3694(5) 0.1943(4) 0.0253(13) Uani 1 1 d . . . . .
C21 C 0.5879(7) 0.5109(6) 0.1370(6) 0.0391(16) Uani 1 1 d . . . . .
H21A H 0.582007 0.564471 0.090611 0.059 Uiso 1 1 calc R U . . .
H21B H 0.600482 0.436964 0.104430 0.059 Uiso 1 1 calc R U . . .
H21C H 0.664613 0.555533 0.198910 0.059 Uiso 1 1 calc R U . . .
C17 C 0.0218(5) 0.7342(5) 0.3282(4) 0.0238(12) Uani 1 1 d . . . . .
C19 C -0.0308(6) 0.6167(5) 0.1461(4) 0.0271(13) Uani 1 1 d . . . . .
C5 C 0.5726(7) 1.1438(6) 0.3774(6) 0.0391(16) Uani 1 1 d . . . . .
H5A H 0.612736 1.183496 0.331507 0.059 Uiso 1 1 calc R U . . .
H5B H 0.624817 1.190815 0.447519 0.059 Uiso 1 1 calc R U . . .
H5C H 0.479497 1.141519 0.362410 0.059 Uiso 1 1 calc R U . . .
C2 C 0.6539(6) 0.8587(5) 0.4492(5) 0.0309(13) Uani 1 1 d . . . . .
C18 C -0.0526(6) 0.6927(5) 0.2222(4) 0.0299(13) Uani 1 1 d . . . . .
H18 H -0.126077 0.720099 0.200498 0.036 Uiso 1 1 calc R U . . .
C10 C 0.2806(7) 0.7779(6) -0.0697(5) 0.0419(17) Uani 1 1 d . . . . .
H10A H 0.231824 0.690444 -0.104903 0.063 Uiso 1 1 calc R U . . .
H10B H 0.320068 0.821181 -0.114302 0.063 Uiso 1 1 calc R U . . .
H10C H 0.218181 0.814609 -0.051171 0.063 Uiso 1 1 calc R U . . .
C20 C -0.1215(6) 0.5833(6) 0.0366(5) 0.0360(15) Uani 1 1 d . . . . .
H20A H -0.070627 0.624868 -0.003140 0.054 Uiso 1 1 calc R U . . .
H20B H -0.198811 0.609720 0.033724 0.054 Uiso 1 1 calc R U . . .
H20C H -0.153609 0.493670 0.008869 0.054 Uiso 1 1 calc R U . . .
C7 C 0.6448(6) 0.8489(5) 0.1106(5) 0.0293(13) Uani 1 1 d . . . . .
C8 C 0.5305(7) 0.8500(5) 0.0372(5) 0.0312(14) Uani 1 1 d . . . . .
H8 H 0.546844 0.896195 -0.010349 0.037 Uiso 1 1 calc R U . . .
C16 C -0.0191(6) 0.8237(5) 0.3947(5) 0.0352(15) Uani 1 1 d . . . . .
H16A H 0.020449 0.826656 0.466057 0.053 Uiso 1 1 calc R U . . .
H16B H -0.117500 0.794831 0.376099 0.053 Uiso 1 1 calc R U . . .
H16C H 0.013832 0.906466 0.384172 0.053 Uiso 1 1 calc R U . . .
C3 C 0.6391(6) 0.9750(6) 0.4474(5) 0.0360(15) Uani 1 1 d . . . . .
H3 H 0.677694 1.035491 0.510271 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5736(5) 1.0118(5) 0.3632(5) 0.0296(14) Uani 1 1 d . . . . .
C14 C 0.0398(6) 0.4062(5) 0.3835(4) 0.0317(14) Uani 1 1 d . . . . .
C12 C 0.2819(6) 0.5217(5) 0.4936(4) 0.0280(13) Uani 1 1 d . . . . .
C1 C 0.7343(7) 0.8415(7) 0.5488(5) 0.0422(16) Uani 1 1 d . . . . .
H1A H 0.681212 0.766472 0.562456 0.063 Uiso 1 1 calc R U . . .
H1B H 0.754370 0.913010 0.604176 0.063 Uiso 1 1 calc R U . . .
H1C H 0.818825 0.833859 0.543514 0.063 Uiso 1 1 calc R U . . .
C25 C 0.1538(7) 0.2666(6) 0.2018(6) 0.0432(17) Uani 1 1 d . . . . .
H25A H 0.166425 0.267332 0.273015 0.065 Uiso 1 1 calc R U . . .
H25B H 0.148398 0.186208 0.164936 0.065 Uiso 1 1 calc R U . . .
H25C H 0.070277 0.281176 0.172188 0.065 Uiso 1 1 calc R U . . .
C13 C 0.1470(7) 0.4409(6) 0.4735(5) 0.0384(16) Uani 1 1 d . . . . .
H13 H 0.128525 0.407193 0.527026 0.046 Uiso 1 1 calc R U . . .
C6 C 0.7849(7) 0.9096(7) 0.1045(6) 0.0483(19) Uani 1 1 d . . . . .
H6A H 0.840651 0.973934 0.166959 0.072 Uiso 1 1 calc R U . . .
H6B H 0.777277 0.946611 0.046731 0.072 Uiso 1 1 calc R U . . .
H6C H 0.826611 0.847178 0.095756 0.072 Uiso 1 1 calc R U . . .
C11 C 0.3910(7) 0.5348(6) 0.5909(5) 0.0403(17) Uani 1 1 d . . . . .
H11A H 0.469025 0.609361 0.603426 0.060 Uiso 1 1 calc R U . . .
H11B H 0.418380 0.462321 0.584551 0.060 Uiso 1 1 calc R U . . .
H11C H 0.355828 0.541024 0.647554 0.060 Uiso 1 1 calc R U . . .
C15 C -0.0971(7) 0.3082(6) 0.3688(5) 0.0398(16) Uani 1 1 d . . . . .
H15A H -0.169187 0.325649 0.322633 0.060 Uiso 1 1 calc R U . . .
H15B H -0.111674 0.310312 0.434244 0.060 Uiso 1 1 calc R U . . .
H15C H -0.097785 0.226229 0.340024 0.060 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O5 2.028(4) . ?
Ru1 O2 2.019(4) . ?
Ru1 O4 2.047(4) . ?
Ru1 O1 1.826(4) . ?
Ru1 O3 2.057(3) . ?
Ru1 N1 2.082(4) . ?
Ru2 O6 2.033(4) . ?
Ru2 O8 2.061(4) . ?
Ru2 O7 2.024(4) . ?
Ru2 O9 2.003(4) . ?
Ru2 O1 1.811(4) . ?
Ru2 N2 2.074(5) . ?
O5 C9 1.278(8) . ?
O2 C2 1.276(7) . ?
O6 C12 1.269(7) . ?
O8 C17 1.272(6) . ?
O4 C7 1.284(7) . ?
O7 C14 1.283(7) . ?
O9 C19 1.287(7) . ?
O3 C4 1.287(7) . ?
N2 N1 1.387(7) . ?
N2 C24 1.313(7) . ?
N1 C22 1.338(7) . ?
C23 H23 0.9300 . ?
C23 C22 1.387(8) . ?
C23 C24 1.362(8) . ?
C22 C21 1.482(9) . ?
C9 C10 1.513(8) . ?
C9 C8 1.387(9) . ?
C24 C25 1.515(9) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C17 C18 1.404(8) . ?
C17 C16 1.512(8) . ?
C19 C18 1.377(8) . ?
C19 C20 1.490(8) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 C4 1.501(8) . ?
C2 C3 1.393(8) . ?
C2 C1 1.502(9) . ?
C18 H18 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C7 C8 1.379(8) . ?
C7 C6 1.495(9) . ?
C8 H8 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C3 H3 0.9300 . ?
C3 C4 1.392(9) . ?
C14 C13 1.365(8) . ?
C14 C15 1.508(9) . ?
C12 C13 1.400(9) . ?
C12 C11 1.491(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C13 H13 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 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
O5 Ru1 O4 88.74(17) . . ?
O5 Ru1 O3 88.54(15) . . ?
O5 Ru1 N1 89.64(17) . . ?
O2 Ru1 O5 175.33(16) . . ?
O2 Ru1 O4 87.29(17) . . ?
O2 Ru1 O3 93.54(15) . . ?
O2 Ru1 N1 88.80(16) . . ?
O4 Ru1 O3 84.57(16) . . ?
O4 Ru1 N1 102.25(17) . . ?
O1 Ru1 O5 92.20(17) . . ?
O1 Ru1 O2 91.97(18) . . ?
O1 Ru1 O4 174.75(15) . . ?
O1 Ru1 O3 90.29(16) . . ?
O1 Ru1 N1 82.92(17) . . ?
O3 Ru1 N1 172.90(17) . . ?
O6 Ru2 O8 88.70(15) . . ?
O6 Ru2 N2 88.85(17) . . ?
O8 Ru2 N2 175.10(15) . . ?
O7 Ru2 O6 89.99(16) . . ?
O7 Ru2 O8 85.98(16) . . ?
O7 Ru2 N2 98.26(17) . . ?
O9 Ru2 O6 172.83(15) . . ?
O9 Ru2 O8 94.32(15) . . ?
O9 Ru2 O7 83.75(16) . . ?
O9 Ru2 N2 88.60(16) . . ?
O1 Ru2 O6 93.01(17) . . ?
O1 Ru2 O8 91.95(16) . . ?
O1 Ru2 O7 176.31(15) . . ?
O1 Ru2 O9 93.38(17) . . ?
O1 Ru2 N2 83.95(17) . . ?
C9 O5 Ru1 124.3(4) . . ?
C2 O2 Ru1 121.9(4) . . ?
C12 O6 Ru2 125.8(4) . . ?
C17 O8 Ru2 121.1(3) . . ?
C7 O4 Ru1 123.9(4) . . ?
C14 O7 Ru2 124.9(3) . . ?
C19 O9 Ru2 122.7(4) . . ?
Ru2 O1 Ru1 136.0(2) . . ?
C4 O3 Ru1 121.2(3) . . ?
N1 N2 Ru2 117.7(3) . . ?
C24 N2 Ru2 135.2(4) . . ?
C24 N2 N1 106.9(4) . . ?
N2 N1 Ru1 119.2(3) . . ?
C22 N1 Ru1 132.4(4) . . ?
C22 N1 N2 108.4(4) . . ?
C22 C23 H23 127.2 . . ?
C24 C23 H23 127.2 . . ?
C24 C23 C22 105.7(5) . . ?
N1 C22 C23 108.0(5) . . ?
N1 C22 C21 123.4(5) . . ?
C23 C22 C21 128.4(5) . . ?
O5 C9 C10 114.3(6) . . ?
O5 C9 C8 125.4(5) . . ?
C8 C9 C10 120.2(6) . . ?
N2 C24 C23 111.0(5) . . ?
N2 C24 C25 122.3(5) . . ?
C23 C24 C25 126.6(5) . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O8 C17 C18 126.8(5) . . ?
O8 C17 C16 115.6(5) . . ?
C18 C17 C16 117.6(5) . . ?
O9 C19 C18 126.3(5) . . ?
O9 C19 C20 113.2(5) . . ?
C18 C19 C20 120.3(5) . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
O2 C2 C3 127.0(5) . . ?
O2 C2 C1 114.1(5) . . ?
C3 C2 C1 119.0(5) . . ?
C17 C18 H18 115.9 . . ?
C19 C18 C17 128.3(5) . . ?
C19 C18 H18 115.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C7 C8 124.0(6) . . ?
O4 C7 C6 116.2(5) . . ?
C8 C7 C6 119.9(6) . . ?
C9 C8 H8 116.5 . . ?
C7 C8 C9 126.9(6) . . ?
C7 C8 H8 116.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C3 H3 116.0 . . ?
C4 C3 C2 128.0(6) . . ?
C4 C3 H3 116.0 . . ?
O3 C4 C5 114.5(5) . . ?
O3 C4 C3 126.0(5) . . ?
C3 C4 C5 119.6(6) . . ?
O7 C14 C13 125.7(6) . . ?
O7 C14 C15 112.9(5) . . ?
C13 C14 C15 121.3(6) . . ?
O6 C12 C13 124.8(5) . . ?
O6 C12 C11 115.6(5) . . ?
C13 C12 C11 119.6(6) . . ?
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 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C14 C13 C12 126.9(6) . . ?
C14 C13 H13 116.6 . . ?
C12 C13 H13 116.6 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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 O5 C9 C10 -173.1(4) . . . . ?
Ru1 O5 C9 C8 8.3(8) . . . . ?
Ru1 O2 C2 C3 -8.0(9) . . . . ?
Ru1 O2 C2 C1 172.0(4) . . . . ?
Ru1 O4 C7 C8 -18.9(7) . . . . ?
Ru1 O4 C7 C6 162.1(4) . . . . ?
Ru1 O3 C4 C5 -169.8(4) . . . . ?
Ru1 O3 C4 C3 11.4(8) . . . . ?
Ru1 N1 C22 C23 -178.5(4) . . . . ?
Ru1 N1 C22 C21 5.0(8) . . . . ?
Ru2 O6 C12 C13 -0.7(8) . . . . ?
Ru2 O6 C12 C11 179.8(4) . . . . ?
Ru2 O8 C17 C18 1.8(8) . . . . ?
Ru2 O8 C17 C16 -177.0(4) . . . . ?
Ru2 O7 C14 C13 -11.4(9) . . . . ?
Ru2 O7 C14 C15 171.9(4) . . . . ?
Ru2 O9 C19 C18 7.9(8) . . . . ?
Ru2 O9 C19 C20 -175.7(4) . . . . ?
Ru2 N2 N1 Ru1 -5.8(4) . . . . ?
Ru2 N2 N1 C22 176.0(3) . . . . ?
Ru2 N2 C24 C23 -174.5(4) . . . . ?
Ru2 N2 C24 C25 6.5(8) . . . . ?
O5 Ru1 O1 Ru2 87.6(3) . . . . ?
O5 C9 C8 C7 10.9(10) . . . . ?
O2 Ru1 O1 Ru2 -90.4(3) . . . . ?
O2 C2 C3 C4 -2.5(11) . . . . ?
O6 Ru2 O1 Ru1 88.2(3) . . . . ?
O6 C12 C13 C14 9.3(11) . . . . ?
O8 Ru2 O1 Ru1 177.0(3) . . . . ?
O8 C17 C18 C19 -2.1(10) . . . . ?
O4 C7 C8 C9 -4.8(10) . . . . ?
O7 C14 C13 C12 -2.5(11) . . . . ?
O9 Ru2 O1 Ru1 -88.5(3) . . . . ?
O9 C19 C18 C17 -3.5(10) . . . . ?
O3 Ru1 O1 Ru2 176.1(3) . . . . ?
N2 Ru2 O1 Ru1 -0.3(3) . . . . ?
N2 N1 C22 C23 -0.6(6) . . . . ?
N2 N1 C22 C21 -177.1(5) . . . . ?
N1 Ru1 O1 Ru2 -1.8(3) . . . . ?
N1 N2 C24 C23 0.1(6) . . . . ?
N1 N2 C24 C25 -178.9(5) . . . . ?
C22 C23 C24 N2 -0.4(6) . . . . ?
C22 C23 C24 C25 178.5(5) . . . . ?
C24 N2 N1 Ru1 178.5(3) . . . . ?
C24 N2 N1 C22 0.3(5) . . . . ?
C24 C23 C22 N1 0.7(6) . . . . ?
C24 C23 C22 C21 176.9(6) . . . . ?
C2 C3 C4 O3 0.4(11) . . . . ?
C2 C3 C4 C5 -178.3(6) . . . . ?
C10 C9 C8 C7 -167.6(6) . . . . ?
C20 C19 C18 C17 -179.7(6) . . . . ?
C16 C17 C18 C19 176.7(6) . . . . ?
C1 C2 C3 C4 177.4(6) . . . . ?
C6 C7 C8 C9 174.2(6) . . . . ?
C11 C12 C13 C14 -171.2(7) . . . . ?
C15 C14 C13 C12 173.9(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 142.3 37.9 ?
2 0.148 0.983 0.653 7.3 0.0 ?
3 0.852 0.017 0.347 7.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.239
_oxdiff_exptl_absorpt_empirical_full_min 0.313
####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2099134'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-08-03 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H33 N2 O9 Ru2'
_chemical_formula_weight         695.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.1406(8)
_cell_length_b                   17.1433(5)
_cell_length_c                   21.2754(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.538(4)
_cell_angle_gamma                90
_cell_volume                     5836.1(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    300(2)
_cell_measurement_reflns_used    9388
_cell_measurement_theta_max      22.2120
_cell_measurement_theta_min      1.7410

_exptl_crystal_description       block
_exptl_crystal_colour            'metallic pinkish pink'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_F_000             2808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.325
_exptl_crystal_size_mid          0.246
_exptl_crystal_size_min          0.132
_exptl_absorpt_coefficient_mu    1.084
_shelx_estimated_absorpt_T_min   0.720
_shelx_estimated_absorpt_T_max   0.870
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      300(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48389
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_av_R_equivalents  0.0829
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.741
_diffrn_reflns_theta_max         24.994
_diffrn_reflns_theta_full        24.994
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5113
_reflns_number_gt                3751
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'

_refine_special_details          ?

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0750P)²+162.1742P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5113
_refine_ls_number_parameters     397
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.1395
_refine_ls_R_factor_gt           0.1104
_refine_ls_wR_factor_ref         0.2736
_refine_ls_wR_factor_gt          0.2494
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.48602(7) 0.72695(6) 0.57912(7) 0.0823(5) Uani 1 1 d . . . . .
Ru2 Ru 0.50930(7) 0.79184(7) 0.43389(7) 0.0808(5) Uani 1 1 d . . . . .
O1 O 0.5411(5) 0.7701(5) 0.5180(4) 0.066(2) Uani 1 1 d . . . . .
O2 O 0.4326(6) 0.8290(5) 0.5959(5) 0.080(3) Uani 1 1 d . . . . .
O3 O 0.5846(6) 0.7433(5) 0.6496(5) 0.080(3) Uani 1 1 d . . . . .
O4 O 0.4213(7) 0.6832(6) 0.6455(6) 0.100(4) Uani 1 1 d . . . . .
O5 O 0.5336(6) 0.6196(5) 0.5651(6) 0.088(3) Uani 1 1 d . . . . .
O6 O 0.5611(6) 0.6935(6) 0.4058(5) 0.089(3) Uani 1 1 d . . . . .
O7 O 0.6135(6) 0.8562(5) 0.4255(5) 0.077(3) Uani 1 1 d . . . . .
O8 O 0.4651(6) 0.8123(7) 0.3413(5) 0.094(3) Uani 1 1 d . . . . .
O9 O 0.4570(6) 0.8924(5) 0.4572(5) 0.081(3) Uani 1 1 d . . . . .
C2 C 0.4648(10) 0.8783(8) 0.6357(8) 0.077(4) Uani 1 1 d . . . . .
C4 C 0.5941(10) 0.8052(9) 0.6814(7) 0.080(4) Uani 1 1 d . . . . .
C12 C 0.6387(10) 0.6885(9) 0.4035(8) 0.091(5) Uani 1 1 d . . . . .
C13 C 0.6978(10) 0.7467(9) 0.4126(8) 0.092(5) Uani 1 1 d . . . . .
H13 H 0.7533 0.7313 0.4144 0.111 Uiso 1 1 calc R U . . .
C14 C 0.6834(10) 0.8264(9) 0.4194(7) 0.081(4) Uani 1 1 d . . . . .
C15 C 0.7546(11) 0.8807(11) 0.4206(10) 0.112(6) Uani 1 1 d . . . . .
H15A H 0.7913 0.8629 0.3916 0.168 Uiso 1 1 calc R U . . .
H15B H 0.7845 0.8827 0.4627 0.168 Uiso 1 1 calc R U . . .
H15C H 0.7342 0.9318 0.4083 0.168 Uiso 1 1 calc R U . . .
C20 C 0.3812(11) 1.0090(9) 0.4526(8) 0.098(5) Uani 1 1 d . . . . .
H20A H 0.3491 0.9945 0.4856 0.147 Uiso 1 1 calc R U . . .
H20B H 0.3477 1.0408 0.4220 0.147 Uiso 1 1 calc R U . . .
H20C H 0.4296 1.0379 0.4704 0.147 Uiso 1 1 calc R U . . .
C16 C 0.3782(11) 0.8585(12) 0.2522(7) 0.104(6) Uani 1 1 d . . . . .
H16A H 0.4243 0.8590 0.2279 0.155 Uiso 1 1 calc R U . . .
H16B H 0.3416 0.9014 0.2396 0.155 Uiso 1 1 calc R U . . .
H16C H 0.3481 0.8103 0.2449 0.155 Uiso 1 1 calc R U . . .
C8 C 0.4758(11) 0.5554(9) 0.6499(9) 0.092(5) Uani 1 1 d . . . . .
H8 H 0.4785 0.5089 0.6726 0.110 Uiso 1 1 calc R U . . .
C17 C 0.4110(9) 0.8658(10) 0.3221(8) 0.083(4) Uani 1 1 d . . . . .
C9 C 0.5224(10) 0.5596(8) 0.5994(9) 0.089(5) Uani 1 1 d . . . . .
C3 C 0.5406(11) 0.8697(9) 0.6729(8) 0.089(5) Uani 1 1 d . . . . .
H3 H 0.5594 0.9137 0.6961 0.106 Uiso 1 1 calc R U . . .
C1 C 0.4158(11) 0.9529(8) 0.6384(9) 0.101(6) Uani 1 1 d . . . . .
H1A H 0.4452 0.9948 0.6212 0.152 Uiso 1 1 calc R U . . .
H1B H 0.4094 0.9644 0.6817 0.152 Uiso 1 1 calc R U . . .
H1C H 0.3617 0.9469 0.6141 0.152 Uiso 1 1 calc R U . . .
C5 C 0.6700(13) 0.8083(11) 0.7307(9) 0.114(6) Uani 1 1 d . . . . .
H5A H 0.6558 0.7890 0.7703 0.171 Uiso 1 1 calc R U . . .
H5B H 0.6890 0.8612 0.7360 0.171 Uiso 1 1 calc R U . . .
H5C H 0.7135 0.7766 0.7173 0.171 Uiso 1 1 calc R U . . .
C10 C 0.5694(10) 0.4878(9) 0.5824(10) 0.103(6) Uani 1 1 d . . . . .
H10A H 0.5393 0.4633 0.5457 0.154 Uiso 1 1 calc R U . . .
H10B H 0.5747 0.4519 0.6173 0.154 Uiso 1 1 calc R U . . .
H10C H 0.6239 0.5027 0.5734 0.154 Uiso 1 1 calc R U . . .
C18 C 0.3841(10) 0.9238(10) 0.3557(8) 0.085(4) Uani 1 1 d . . . . .
H18 H 0.3462 0.9588 0.3344 0.102 Uiso 1 1 calc R U . . .
C7 C 0.4259(11) 0.6137(9) 0.6694(9) 0.095(5) Uani 1 1 d . . . . .
C19 C 0.4084(9) 0.9364(9) 0.4206(9) 0.084(4) Uani 1 1 d . . . . .
C6 C 0.3691(13) 0.5983(11) 0.7185(9) 0.116(6) Uani 1 1 d . . . . .
H6A H 0.3751 0.6394 0.7495 0.174 Uiso 1 1 calc R U . . .
H6B H 0.3837 0.5494 0.7390 0.174 Uiso 1 1 calc R U . . .
H6C H 0.3123 0.5964 0.6985 0.174 Uiso 1 1 calc R U . . .
C11 C 0.6673(12) 0.6061(11) 0.3885(13) 0.151(10) Uani 1 1 d . . . . .
H11A H 0.6534 0.5705 0.4203 0.227 Uiso 1 1 calc R U . . .
H11B H 0.7267 0.6060 0.3880 0.227 Uiso 1 1 calc R U . . .
H11C H 0.6398 0.5903 0.3477 0.227 Uiso 1 1 calc R U . . .
N1 N 0.3895(14) 0.7127(14) 0.4960(16) 0.039(6) Uani 0.56(4) 1 d . U P A 1
N2 N 0.4085(16) 0.7369(15) 0.4353(14) 0.059(8) Uani 0.56(4) 1 d . U P A 1
C21 C 0.3453(18) 0.7168(16) 0.3924(18) 0.065(8) Uani 0.56(4) 1 d . U P A 1
H21 H 0.3424 0.7291 0.3496 0.078 Uiso 0.56(4) 1 calc R U P A 1
C22 C 0.285(2) 0.676(2) 0.4173(19) 0.073(12) Uani 0.56(4) 1 d . U P A 1
H22 H 0.2362 0.6560 0.3958 0.087 Uiso 0.56(4) 1 calc R U P A 1
C23 C 0.313(2) 0.6720(19) 0.4831(19) 0.062(9) Uani 0.56(4) 1 d D U P A 1
C24 C 0.278(2) 0.6357(17) 0.5350(13) 0.075(9) Uani 0.56(4) 1 d D U P A 1
H24A H 0.2263 0.6104 0.5189 0.112 Uiso 0.56(4) 1 calc R U P A 1
H24B H 0.3162 0.5979 0.5553 0.112 Uiso 0.56(4) 1 calc R U P A 1
H24C H 0.2672 0.6749 0.5652 0.112 Uiso 0.56(4) 1 calc R U P A 1
N1A N 0.3985(19) 0.718(2) 0.463(2) 0.058(12) Uani 0.44(4) 1 d . . P A 2
N2A N 0.3965(17) 0.6987(16) 0.528(2) 0.073(9) Uani 0.44(4) 1 d . . P A 2
C21A C 0.323(2) 0.664(2) 0.530(3) 0.082(14) Uani 0.44(4) 1 d . . P A 2
H21A H 0.3047 0.6448 0.5672 0.098 Uiso 0.44(4) 1 calc R U P A 2
C22A C 0.277(4) 0.659(3) 0.470(3) 0.12(3) Uani 0.44(4) 1 d . . P A 2
H22A H 0.2249 0.6361 0.4594 0.140 Uiso 0.44(4) 1 calc R U P A 2
C23A C 0.323(5) 0.692(3) 0.431(2) 0.102(18) Uani 0.44(4) 1 d D . P A 2
C24A C 0.309(4) 0.696(3) 0.363(2) 0.14(2) Uani 0.44(4) 1 d D . P A 2
H24D H 0.3543 0.7243 0.3480 0.208 Uiso 0.44(4) 1 calc R U P A 2
H24E H 0.3073 0.6441 0.3456 0.208 Uiso 0.44(4) 1 calc R U P A 2
H24F H 0.2575 0.7220 0.3496 0.208 Uiso 0.44(4) 1 calc R U P A 2


_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 N2A 1.76(3) . ?
Ru1 O1 1.825(9) . ?
Ru1 O2 2.003(9) . ?
Ru1 O4 2.009(11) . ?
Ru1 O5 2.031(9) . ?
Ru1 O3 2.058(11) . ?
Ru1 N1 2.21(3) . ?
Ru2 O1 1.834(9) . ?
Ru2 N2 1.88(2) . ?
Ru2 O6 2.007(8) . ?
Ru2 O9 2.010(9) . ?
Ru2 O8 2.036(11) . ?
Ru2 O7 2.040(10) . ?
Ru2 N1A 2.33(5) . ?
O2 C2 1.260(18) . ?
O3 C4 1.256(18) . ?
O4 C7 1.294(19) . ?
O5 C9 1.289(19) . ?
O6 C12 1.263(18) . ?
O7 C14 1.261(17) . ?
O8 C17 1.294(17) . ?
O9 C19 1.278(17) . ?
C2 C3 1.38(2) . ?
C2 C1 1.508(18) . ?
C4 C3 1.40(2) . ?
C4 C5 1.51(2) . ?
C12 C13 1.38(2) . ?
C12 C11 1.53(2) . ?
C13 C14 1.40(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.48(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C20 C19 1.51(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C16 C17 1.52(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C8 C7 1.38(2) . ?
C8 C9 1.39(2) . ?
C8 H8 0.9300 . ?
C17 C18 1.33(2) . ?
C9 C10 1.51(2) . ?
C3 H3 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C18 C19 1.40(2) . ?
C18 H18 0.9300 . ?
C7 C6 1.50(2) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
N1 C23 1.41(5) . ?
N1 N2 1.43(3) . ?
N2 C21 1.32(5) . ?
C21 C22 1.35(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.42(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.45(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
N1A C23A 1.38(8) . ?
N1A N2A 1.44(5) . ?
N2A C21A 1.34(5) . ?
C21A C22A 1.40(6) . ?
C21A H21A 0.9300 . ?
C22A C23A 1.31(10) . ?
C22A H22A 0.9300 . ?
C23A C24A 1.45(2) . ?
C24A H24D 0.9600 . ?
C24A H24E 0.9600 . ?
C24A H24F 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
N2A Ru1 O1 96.3(15) . . ?
N2A Ru1 O2 90.7(9) . . ?
O1 Ru1 O2 92.0(4) . . ?
N2A Ru1 O4 82.4(15) . . ?
O1 Ru1 O4 177.4(4) . . ?
O2 Ru1 O4 85.7(4) . . ?
N2A Ru1 O5 87.5(10) . . ?
O1 Ru1 O5 91.9(4) . . ?
O2 Ru1 O5 175.9(4) . . ?
O4 Ru1 O5 90.4(4) . . ?
N2A Ru1 O3 169.1(14) . . ?
O1 Ru1 O3 93.5(4) . . ?
O2 Ru1 O3 93.5(4) . . ?
O4 Ru1 O3 87.9(5) . . ?
O5 Ru1 O3 87.7(4) . . ?
O1 Ru1 N1 80.4(8) . . ?
O2 Ru1 N1 88.0(7) . . ?
O4 Ru1 N1 98.3(8) . . ?
O5 Ru1 N1 91.3(7) . . ?
O3 Ru1 N1 173.8(8) . . ?
O1 Ru2 N2 90.8(9) . . ?
O1 Ru2 O6 92.6(4) . . ?
N2 Ru2 O6 88.8(9) . . ?
O1 Ru2 O9 90.4(4) . . ?
N2 Ru2 O9 91.9(9) . . ?
O6 Ru2 O9 177.0(5) . . ?
O1 Ru2 O8 175.5(4) . . ?
N2 Ru2 O8 84.7(10) . . ?
O6 Ru2 O8 87.9(4) . . ?
O9 Ru2 O8 89.2(4) . . ?
O1 Ru2 O7 93.9(4) . . ?
N2 Ru2 O7 175.0(9) . . ?
O6 Ru2 O7 92.7(4) . . ?
O9 Ru2 O7 86.3(4) . . ?
O8 Ru2 O7 90.6(4) . . ?
O1 Ru2 N1A 76.1(10) . . ?
O6 Ru2 N1A 89.4(6) . . ?
O9 Ru2 N1A 92.1(6) . . ?
O8 Ru2 N1A 99.4(10) . . ?
O7 Ru2 N1A 169.8(10) . . ?
Ru1 O1 Ru2 132.6(5) . . ?
C2 O2 Ru1 123.9(9) . . ?
C4 O3 Ru1 122.4(10) . . ?
C7 O4 Ru1 127.8(11) . . ?
C9 O5 Ru1 123.8(10) . . ?
C12 O6 Ru2 121.5(9) . . ?
C14 O7 Ru2 123.3(10) . . ?
C17 O8 Ru2 124.3(10) . . ?
C19 O9 Ru2 126.8(10) . . ?
O2 C2 C3 124.8(13) . . ?
O2 C2 C1 115.1(14) . . ?
C3 C2 C1 120.1(15) . . ?
O3 C4 C3 124.6(16) . . ?
O3 C4 C5 115.9(14) . . ?
C3 C4 C5 119.5(16) . . ?
O6 C12 C13 128.2(14) . . ?
O6 C12 C11 113.5(15) . . ?
C13 C12 C11 118.3(15) . . ?
C12 C13 C14 127.0(15) . . ?
C12 C13 H13 116.5 . . ?
C14 C13 H13 116.5 . . ?
O7 C14 C13 124.8(16) . . ?
O7 C14 C15 116.5(14) . . ?
C13 C14 C15 118.6(15) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C7 C8 C9 126.2(16) . . ?
C7 C8 H8 116.9 . . ?
C9 C8 H8 116.9 . . ?
O8 C17 C18 127.9(15) . . ?
O8 C17 C16 112.6(15) . . ?
C18 C17 C16 119.5(15) . . ?
O5 C9 C8 127.5(14) . . ?
O5 C9 C10 113.7(16) . . ?
C8 C9 C10 118.7(15) . . ?
C2 C3 C4 130.3(16) . . ?
C2 C3 H3 114.9 . . ?
C4 C3 H3 114.9 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C17 C18 C19 125.1(15) . . ?
C17 C18 H18 117.5 . . ?
C19 C18 H18 117.5 . . ?
O4 C7 C8 123.5(18) . . ?
O4 C7 C6 115.3(15) . . ?
C8 C7 C6 121.1(16) . . ?
O9 C19 C18 125.5(14) . . ?
O9 C19 C20 113.7(15) . . ?
C18 C19 C20 120.7(15) . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C23 N1 N2 105(3) . . ?
C23 N1 Ru1 136(3) . . ?
N2 N1 Ru1 118.6(19) . . ?
C21 N2 N1 108(3) . . ?
C21 N2 Ru2 135(2) . . ?
N1 N2 Ru2 117(2) . . ?
N2 C21 C22 113(4) . . ?
N2 C21 H21 123.5 . . ?
C22 C21 H21 123.5 . . ?
C21 C22 C23 105(4) . . ?
C21 C22 H22 127.5 . . ?
C23 C22 H22 127.5 . . ?
N1 C23 C22 109(3) . . ?
N1 C23 C24 119(5) . . ?
C22 C23 C24 132(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23A N1A N2A 105(5) . . ?
C23A N1A Ru2 135(5) . . ?
N2A N1A Ru2 119.8(16) . . ?
C21A N2A N1A 106(4) . . ?
C21A N2A Ru1 140(4) . . ?
N1A N2A Ru1 114(2) . . ?
N2A C21A C22A 111(7) . . ?
N2A C21A H21A 124.5 . . ?
C22A C21A H21A 124.5 . . ?
C23A C22A C21A 106(7) . . ?
C23A C22A H22A 126.9 . . ?
C21A C22A H22A 126.9 . . ?
C22A C23A N1A 112(5) . . ?
C22A C23A C24A 129(8) . . ?
N1A C23A C24A 119(8) . . ?
C23A C24A H24D 109.5 . . ?
C23A C24A H24E 109.5 . . ?
H24D C24A H24E 109.5 . . ?
C23A C24A H24F 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 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
N2A Ru1 O1 Ru2 8.7(11) . . . . ?
O2 Ru1 O1 Ru2 -82.2(6) . . . . ?
O5 Ru1 O1 Ru2 96.3(6) . . . . ?
O3 Ru1 O1 Ru2 -175.8(6) . . . . ?
N1 Ru1 O1 Ru2 5.4(8) . . . . ?
N2 Ru2 O1 Ru1 -9.2(10) . . . . ?
O6 Ru2 O1 Ru1 -98.0(6) . . . . ?
O9 Ru2 O1 Ru1 82.8(6) . . . . ?
O7 Ru2 O1 Ru1 169.1(6) . . . . ?
N1A Ru2 O1 Ru1 -9.3(8) . . . . ?
Ru1 O2 C2 C3 0(2) . . . . ?
Ru1 O2 C2 C1 177.2(10) . . . . ?
Ru1 O3 C4 C3 -1(2) . . . . ?
Ru1 O3 C4 C5 -179.3(11) . . . . ?
Ru2 O6 C12 C13 -7(3) . . . . ?
Ru2 O6 C12 C11 173.3(14) . . . . ?
O6 C12 C13 C14 -8(3) . . . . ?
C11 C12 C13 C14 172.1(19) . . . . ?
Ru2 O7 C14 C13 5(2) . . . . ?
Ru2 O7 C14 C15 -173.8(12) . . . . ?
C12 C13 C14 O7 9(3) . . . . ?
C12 C13 C14 C15 -172.3(18) . . . . ?
Ru2 O8 C17 C18 11(2) . . . . ?
Ru2 O8 C17 C16 -169.8(10) . . . . ?
Ru1 O5 C9 C8 2(2) . . . . ?
Ru1 O5 C9 C10 -175.8(10) . . . . ?
C7 C8 C9 O5 6(3) . . . . ?
C7 C8 C9 C10 -176.3(16) . . . . ?
O2 C2 C3 C4 -8(3) . . . . ?
C1 C2 C3 C4 175.5(16) . . . . ?
O3 C4 C3 C2 8(3) . . . . ?
C5 C4 C3 C2 -173.4(17) . . . . ?
O8 C17 C18 C19 -2(3) . . . . ?
C16 C17 C18 C19 179.0(15) . . . . ?
Ru1 O4 C7 C8 -3(3) . . . . ?
Ru1 O4 C7 C6 180.0(12) . . . . ?
C9 C8 C7 O4 -6(3) . . . . ?
C9 C8 C7 C6 171.1(17) . . . . ?
Ru2 O9 C19 C18 -2(2) . . . . ?
Ru2 O9 C19 C20 -178.7(11) . . . . ?
C17 C18 C19 O9 -3(3) . . . . ?
C17 C18 C19 C20 173.4(16) . . . . ?
C23 N1 N2 C21 4(3) . . . . ?
Ru1 N1 N2 C21 174.6(17) . . . . ?
C23 N1 N2 Ru2 -178.5(18) . . . . ?
Ru1 N1 N2 Ru2 -8(3) . . . . ?
O1 Ru2 N2 C21 -175(3) . . . . ?
O6 Ru2 N2 C21 -82(3) . . . . ?
O9 Ru2 N2 C21 95(3) . . . . ?
O8 Ru2 N2 C21 6(3) . . . . ?
O1 Ru2 N2 N1 9(2) . . . . ?
O6 Ru2 N2 N1 102(2) . . . . ?
O9 Ru2 N2 N1 -81(2) . . . . ?
O8 Ru2 N2 N1 -170(2) . . . . ?
N1 N2 C21 C22 -4(4) . . . . ?
Ru2 N2 C21 C22 -180(3) . . . . ?
N2 C21 C22 C23 1(4) . . . . ?
N2 N1 C23 C22 -4(3) . . . . ?
Ru1 N1 C23 C22 -171(2) . . . . ?
N2 N1 C23 C24 177(3) . . . . ?
Ru1 N1 C23 C24 9(4) . . . . ?
C21 C22 C23 N1 2(4) . . . . ?
C21 C22 C23 C24 -179(3) . . . . ?
C23A N1A N2A C21A 0(3) . . . . ?
Ru2 N1A N2A C21A 174(2) . . . . ?
C23A N1A N2A Ru1 -180(3) . . . . ?
Ru2 N1A N2A Ru1 -5(3) . . . . ?
O1 Ru1 N2A C21A -180(4) . . . . ?
O2 Ru1 N2A C21A -88(4) . . . . ?
O4 Ru1 N2A C21A -2(4) . . . . ?
O5 Ru1 N2A C21A 89(4) . . . . ?
O3 Ru1 N2A C21A 25(8) . . . . ?
O1 Ru1 N2A N1A 0(2) . . . . ?
O2 Ru1 N2A N1A 91.7(19) . . . . ?
O4 Ru1 N2A N1A 177(2) . . . . ?
O5 Ru1 N2A N1A -92.0(19) . . . . ?
O3 Ru1 N2A N1A -156(5) . . . . ?
N1A N2A C21A C22A 1(4) . . . . ?
Ru1 N2A C21A C22A -180(3) . . . . ?
N2A C21A C22A C23A -1(5) . . . . ?
C21A C22A C23A N1A 1(6) . . . . ?
C21A C22A C23A C24A 173(5) . . . . ?
N2A N1A C23A C22A 0(5) . . . . ?
Ru2 N1A C23A C22A -174(3) . . . . ?
N2A N1A C23A C24A -174(4) . . . . ?
Ru2 N1A C23A C24A 13(6) . . . . ?

_refine_diff_density_max         2.400
_refine_diff_density_min         -1.753
_refine_diff_density_rms         0.151



####################################################################### 
# 
# 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_1c
_database_code_depnum_ccdc_archive 'CCDC 2099132'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H35 N2 O9 Ru2'
_chemical_formula_sum            'C25 H35 N2 O9 Ru2'
_chemical_formula_weight         709.69
_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 0.0181 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'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.8051(7)
_cell_length_b                   8.1833(2)
_cell_length_c                   24.0310(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.800(2)
_cell_angle_gamma                90
_cell_volume                     5856.9(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6265
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.7590
_cell_measurement_theta_min      2.9570
_shelx_estimated_absorpt_T_max   0.529
_shelx_estimated_absorpt_T_min   0.325
_exptl_absorpt_coefficient_mu    8.790
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.24736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic pinkish pink'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   pinkish
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2872
_exptl_crystal_size_max          0.165
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.083
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_unetI/netI     0.0743
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            17013
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        64.994
_diffrn_reflns_theta_max         64.994
_diffrn_reflns_theta_min         2.967
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -191.00 -11.00   1.00    4.00    -- -101.00   0.00-180.00  180
  2  ω   -122.00   2.00   1.00    4.00    --  -32.00 -72.00-144.00  124
  3  ω    -80.00 -17.00   1.00    4.00    -- -101.00  72.00 -72.00   63
  4  ω    -69.00 -23.00   1.00    4.00    -- -101.00  72.00-144.00   46
  5  ω    -90.00 -11.00   1.00    4.00    -- -101.00  43.00  72.00   79
  6  ω    -94.00 -42.00   1.00    4.00    --  -32.00 -72.00 108.00   52
  7  ω   -180.00-103.00   1.00    4.00    -- -101.00 -72.00 108.00   77
  8  ω    -53.00 -23.00   1.00    4.00    -- -101.00  72.00-180.00   30
  9  ω   -191.00-161.00   1.00    4.00    -- -101.00 -72.00 -36.00   30
 10  ω   -191.00 -29.00   1.00    4.00    -- -101.00   0.00 -36.00  162
 11  ω   -135.00 -70.00   1.00    4.00    -- -101.00  72.00-108.00   65
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0493174000
_diffrn_orient_matrix_UB_12      -0.0564946000
_diffrn_orient_matrix_UB_13      -0.0165573000
_diffrn_orient_matrix_UB_21      0.0059159000
_diffrn_orient_matrix_UB_22      -0.0716927000
_diffrn_orient_matrix_UB_23      0.0607387000
_diffrn_orient_matrix_UB_31      -0.0144553000
_diffrn_orient_matrix_UB_32      0.1646172000
_diffrn_orient_matrix_UB_33      0.0208069000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4065
_reflns_number_total             4962
_reflns_odcompleteness_completeness 97.47
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     72.78
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.317
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.178
_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     353
_refine_ls_number_reflns         4962
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0543
_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)+(0.0834P)²+11.1882P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1535
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C13(H13), C23(H23), C18(H18), C8(H8)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C6(H6A,H6B,H6C), C5(H5A,H5B,H5C), C21(H21A,H21B,H21C),
 C16(H16A,H16B,H16C), C10(H10A,H10B,H10C), C1(H1A,H1B,H1C), C15(H15A,H15B,H15C),
  C25(H25A,H25B,H25C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.59223(2) 0.21155(6) 0.40140(2) 0.02238(17) Uani 1 1 d . . . . .
Ru2 Ru 0.66958(2) 0.32202(6) 0.33134(2) 0.02327(17) Uani 1 1 d . . . . .
O9 O 0.69716(14) 0.0941(5) 0.33967(18) 0.0277(10) Uani 1 1 d . . . . .
O4 O 0.56382(16) 0.1784(6) 0.46917(18) 0.0308(10) Uani 1 1 d . . . . .
O8 O 0.72792(15) 0.4166(5) 0.32111(19) 0.0310(10) Uani 1 1 d . . . . .
O2 O 0.56541(14) 0.4380(5) 0.39318(18) 0.0286(10) Uani 1 1 d . . . . .
O3 O 0.53448(14) 0.1045(5) 0.35351(19) 0.0299(10) Uani 1 1 d . . . . .
O1 O 0.61660(14) 0.2409(5) 0.34012(17) 0.0245(9) Uani 1 1 d . . . . .
O6 O 0.64747(14) 0.5559(5) 0.32415(18) 0.0278(9) Uani 1 1 d . . . . .
O5 O 0.61908(14) -0.0142(5) 0.41502(18) 0.0279(9) Uani 1 1 d . . . . .
O7 O 0.65257(16) 0.2809(5) 0.24401(19) 0.0316(10) Uani 1 1 d . . . . .
C22 C 0.6686(2) 0.3487(8) 0.5040(3) 0.0286(14) Uani 1 1 d . . . . .
C11 C 0.6147(3) 0.7944(9) 0.2808(3) 0.0371(17) Uani 1 1 d . . . . .
H11A H 0.587355 0.795278 0.292958 0.056 Uiso 1 1 calc R U . . .
H11B H 0.609937 0.847849 0.244210 0.056 Uiso 1 1 calc R U . . .
H11C H 0.637709 0.851045 0.308710 0.056 Uiso 1 1 calc R U . . .
C19 C 0.7345(2) 0.0577(8) 0.3303(3) 0.0285(14) Uani 1 1 d . . . . .
C2 C 0.5274(2) 0.4683(9) 0.3591(3) 0.0329(15) Uani 1 1 d . . . . .
N1 N 0.65238(17) 0.3102(6) 0.4482(2) 0.0240(11) Uani 1 1 d . . . . .
C4 C 0.5006(2) 0.1891(9) 0.3273(3) 0.0318(15) Uani 1 1 d . . . . .
C6 C 0.5459(3) 0.0650(12) 0.5500(3) 0.055(2) Uani 1 1 d . . . . .
H6A H 0.564440 0.129473 0.580334 0.082 Uiso 1 1 calc R U . . .
H6B H 0.542351 -0.042466 0.564265 0.082 Uiso 1 1 calc R U . . .
H6C H 0.517033 0.115815 0.536846 0.082 Uiso 1 1 calc R U . . .
C5 C 0.4617(2) 0.0889(9) 0.2941(3) 0.0356(16) Uani 1 1 d . . . . .
H5A H 0.472467 0.005444 0.272891 0.053 Uiso 1 1 calc R U . . .
H5B H 0.440971 0.158175 0.267766 0.053 Uiso 1 1 calc R U . . .
H5C H 0.446761 0.039031 0.320240 0.053 Uiso 1 1 calc R U . . .
C12 C 0.62912(19) 0.6213(8) 0.2756(3) 0.0282(14) Uani 1 1 d . . . . .
C3 C 0.4967(2) 0.3597(9) 0.3268(3) 0.0322(15) Uani 1 1 d . . . . .
H3 H 0.470983 0.404177 0.302372 0.039 Uiso 1 1 calc R U . . .
C21 C 0.6437(3) 0.3227(11) 0.5489(3) 0.0429(19) Uani 1 1 d . . . . .
H21A H 0.614042 0.367273 0.535959 0.064 Uiso 1 1 calc R U . . .
H21B H 0.659355 0.376246 0.583849 0.064 Uiso 1 1 calc R U . . .
H21C H 0.641832 0.207747 0.555937 0.064 Uiso 1 1 calc R U . . .
C7 C 0.5679(3) 0.0526(9) 0.5006(3) 0.0390(17) Uani 1 1 d . . . . .
C9 C 0.6157(2) -0.1120(8) 0.4545(3) 0.0338(15) Uani 1 1 d . . . . .
C16 C 0.8024(3) 0.4340(10) 0.3119(3) 0.0436(18) Uani 1 1 d . . . . .
H16A H 0.792353 0.534416 0.292113 0.065 Uiso 1 1 calc R U . . .
H16B H 0.819797 0.373660 0.290996 0.065 Uiso 1 1 calc R U . . .
H16C H 0.820523 0.457673 0.349854 0.065 Uiso 1 1 calc R U . . .
C13 C 0.6217(2) 0.5499(9) 0.2222(3) 0.0335(15) Uani 1 1 d . . . . .
H13 H 0.607746 0.615444 0.191177 0.040 Uiso 1 1 calc R U . . .
C17 C 0.7626(2) 0.3346(8) 0.3161(3) 0.0314(15) Uani 1 1 d . . . . .
C23 C 0.7108(2) 0.4158(8) 0.5115(3) 0.0320(15) Uani 1 1 d . . . . .
H23 H 0.729742 0.451631 0.545973 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6407(3) -0.2716(9) 0.4539(4) 0.049(2) Uani 1 1 d . . . . .
H10A H 0.666449 -0.252588 0.439207 0.073 Uiso 1 1 calc R U . . .
H10B H 0.621189 -0.349098 0.429776 0.073 Uiso 1 1 calc R U . . .
H10C H 0.650256 -0.313977 0.492350 0.073 Uiso 1 1 calc R U . . .
C1 C 0.5153(3) 0.6490(9) 0.3552(4) 0.0457(19) Uani 1 1 d . . . . .
H1A H 0.516007 0.689766 0.392893 0.069 Uiso 1 1 calc R U . . .
H1B H 0.485754 0.663177 0.330376 0.069 Uiso 1 1 calc R U . . .
H1C H 0.536596 0.708183 0.339925 0.069 Uiso 1 1 calc R U . . .
C15 C 0.6208(3) 0.3337(10) 0.1466(3) 0.0410(17) Uani 1 1 d . . . . .
H15A H 0.644040 0.366567 0.128803 0.061 Uiso 1 1 calc R U . . .
H15B H 0.592926 0.383100 0.126589 0.061 Uiso 1 1 calc R U . . .
H15C H 0.617832 0.216939 0.144806 0.061 Uiso 1 1 calc R U . . .
C18 C 0.7654(2) 0.1623(8) 0.3181(3) 0.0329(15) Uani 1 1 d . . . . .
H18 H 0.790770 0.115555 0.310302 0.039 Uiso 1 1 calc R U . . .
C14 C 0.6328(2) 0.3876(9) 0.2082(3) 0.0346(16) Uani 1 1 d . . . . .
C25 C 0.7611(3) 0.4855(10) 0.4445(3) 0.0436(18) Uani 1 1 d . . . . .
H25A H 0.780733 0.529732 0.478793 0.065 Uiso 1 1 calc R U . . .
H25B H 0.753036 0.570049 0.415975 0.065 Uiso 1 1 calc R U . . .
H25C H 0.776229 0.399096 0.429931 0.065 Uiso 1 1 calc R U . . .
C24 C 0.7194(2) 0.4192(8) 0.4581(3) 0.0306(14) Uani 1 1 d . . . . .
C20 C 0.7459(3) -0.1240(8) 0.3358(3) 0.0390(17) Uani 1 1 d . . . . .
H20A H 0.768796 -0.142805 0.370647 0.058 Uiso 1 1 calc R U . . .
H20B H 0.756622 -0.158015 0.303405 0.058 Uiso 1 1 calc R U . . .
H20C H 0.719546 -0.185344 0.336625 0.058 Uiso 1 1 calc R U . . .
C8 C 0.5918(3) -0.0870(9) 0.4945(3) 0.0432(18) Uani 1 1 d . . . . .
H8 H 0.591576 -0.171886 0.520194 0.052 Uiso 1 1 calc R U . . .
N2 N 0.68416(17) 0.3556(6) 0.4197(2) 0.0254(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O4 2.054(4) . ?
Ru1 O2 2.018(4) . ?
Ru1 O3 2.052(4) . ?
Ru1 O1 1.832(4) . ?
Ru1 O5 2.016(4) . ?
Ru1 N1 2.070(5) . ?
Ru2 O9 2.038(4) . ?
Ru2 O8 2.029(5) . ?
Ru2 O1 1.823(4) . ?
Ru2 O6 2.024(4) . ?
Ru2 O7 2.057(4) . ?
Ru2 N2 2.074(5) . ?
O9 C19 1.262(8) . ?
O4 C7 1.264(9) . ?
O8 C17 1.292(8) . ?
O2 C2 1.270(8) . ?
O3 C4 1.277(8) . ?
O6 C12 1.276(7) . ?
O5 C9 1.266(8) . ?
O7 C14 1.268(8) . ?
C22 N1 1.343(8) . ?
C22 C21 1.490(10) . ?
C22 C23 1.381(10) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 C12 1.499(10) . ?
C19 C18 1.368(10) . ?
C19 C20 1.526(10) . ?
C2 C3 1.383(10) . ?
C2 C1 1.522(10) . ?
N1 N2 1.380(8) . ?
C4 C5 1.502(10) . ?
C4 C3 1.402(10) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 C7 1.513(10) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C12 C13 1.376(10) . ?
C3 H3 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C7 C8 1.387(11) . ?
C9 C10 1.518(10) . ?
C9 C8 1.367(11) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C17 1.497(10) . ?
C13 H13 0.9300 . ?
C13 C14 1.433(10) . ?
C17 C18 1.413(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.376(10) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 C14 1.497(10) . ?
C18 H18 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C24 1.508(10) . ?
C24 N2 1.336(8) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C8 H8 0.9300 . ?

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
O4 Ru1 N1 97.16(19) . . ?
O2 Ru1 O4 87.26(18) . . ?
O2 Ru1 O3 93.59(18) . . ?
O2 Ru1 N1 88.99(18) . . ?
O3 Ru1 O4 84.51(18) . . ?
O3 Ru1 N1 176.99(19) . . ?
O1 Ru1 O4 179.02(18) . . ?
O1 Ru1 O2 92.45(18) . . ?
O1 Ru1 O3 94.57(18) . . ?
O1 Ru1 O5 90.87(18) . . ?
O1 Ru1 N1 83.77(19) . . ?
O5 Ru1 O4 89.45(18) . . ?
O5 Ru1 O2 176.32(17) . . ?
O5 Ru1 O3 87.75(18) . . ?
O5 Ru1 N1 89.77(18) . . ?
O9 Ru2 O7 86.66(17) . . ?
O9 Ru2 N2 92.58(18) . . ?
O8 Ru2 O9 90.06(17) . . ?
O8 Ru2 O7 86.64(18) . . ?
O8 Ru2 N2 96.13(19) . . ?
O1 Ru2 O9 91.05(18) . . ?
O1 Ru2 O8 178.86(18) . . ?
O1 Ru2 O6 93.59(18) . . ?
O1 Ru2 O7 93.22(18) . . ?
O1 Ru2 N2 84.02(19) . . ?
O6 Ru2 O9 175.20(17) . . ?
O6 Ru2 O8 85.30(17) . . ?
O6 Ru2 O7 94.30(17) . . ?
O6 Ru2 N2 86.69(18) . . ?
O7 Ru2 N2 177.1(2) . . ?
C19 O9 Ru2 125.1(4) . . ?
C7 O4 Ru1 125.7(5) . . ?
C17 O8 Ru2 126.2(4) . . ?
C2 O2 Ru1 122.0(4) . . ?
C4 O3 Ru1 121.9(4) . . ?
Ru2 O1 Ru1 134.7(2) . . ?
C12 O6 Ru2 122.4(4) . . ?
C9 O5 Ru1 126.3(4) . . ?
C14 O7 Ru2 122.3(4) . . ?
N1 C22 C21 124.2(6) . . ?
N1 C22 C23 108.8(6) . . ?
C23 C22 C21 127.0(6) . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
O9 C19 C18 127.4(6) . . ?
O9 C19 C20 114.6(6) . . ?
C18 C19 C20 118.0(6) . . ?
O2 C2 C3 128.5(7) . . ?
O2 C2 C1 113.6(6) . . ?
C3 C2 C1 117.9(6) . . ?
C22 N1 Ru1 133.3(4) . . ?
C22 N1 N2 107.6(5) . . ?
N2 N1 Ru1 119.1(4) . . ?
O3 C4 C5 114.0(6) . . ?
O3 C4 C3 127.0(6) . . ?
C3 C4 C5 119.0(6) . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O6 C12 C11 113.0(6) . . ?
O6 C12 C13 127.1(6) . . ?
C13 C12 C11 119.8(6) . . ?
C2 C3 C4 126.2(6) . . ?
C2 C3 H3 116.9 . . ?
C4 C3 H3 116.9 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O4 C7 C6 114.7(7) . . ?
O4 C7 C8 125.6(7) . . ?
C8 C7 C6 119.6(7) . . ?
O5 C9 C10 113.4(7) . . ?
O5 C9 C8 126.5(6) . . ?
C8 C9 C10 120.1(7) . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
C12 C13 H13 115.8 . . ?
C12 C13 C14 128.4(6) . . ?
C14 C13 H13 115.8 . . ?
O8 C17 C16 115.8(6) . . ?
O8 C17 C18 124.2(6) . . ?
C18 C17 C16 119.9(7) . . ?
C22 C23 H23 126.8 . . ?
C24 C23 C22 106.5(6) . . ?
C24 C23 H23 126.8 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
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 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
C19 C18 C17 126.2(7) . . ?
C19 C18 H18 116.9 . . ?
C17 C18 H18 116.9 . . ?
O7 C14 C13 125.5(6) . . ?
O7 C14 C15 115.0(7) . . ?
C13 C14 C15 119.5(6) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
C23 C24 C25 126.0(6) . . ?
N2 C24 C23 108.7(6) . . ?
N2 C24 C25 125.3(6) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C7 C8 H8 116.8 . . ?
C9 C8 C7 126.3(7) . . ?
C9 C8 H8 116.8 . . ?
N1 N2 Ru2 118.4(4) . . ?
C24 N2 Ru2 133.1(5) . . ?
C24 N2 N1 108.4(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 O4 C7 C6 176.2(5) . . . . ?
Ru1 O4 C7 C8 -1.1(11) . . . . ?
Ru1 O2 C2 C3 6.1(10) . . . . ?
Ru1 O2 C2 C1 -174.6(5) . . . . ?
Ru1 O3 C4 C5 179.4(4) . . . . ?
Ru1 O3 C4 C3 -0.4(10) . . . . ?
Ru1 O5 C9 C10 -178.7(5) . . . . ?
Ru1 O5 C9 C8 2.6(10) . . . . ?
Ru1 N1 N2 Ru2 0.0(5) . . . . ?
Ru1 N1 N2 C24 178.5(4) . . . . ?
Ru2 O9 C19 C18 6.3(9) . . . . ?
Ru2 O9 C19 C20 -176.0(4) . . . . ?
Ru2 O8 C17 C16 -177.1(4) . . . . ?
Ru2 O8 C17 C18 -1.1(9) . . . . ?
Ru2 O6 C12 C11 179.1(4) . . . . ?
Ru2 O6 C12 C13 -0.7(9) . . . . ?
Ru2 O7 C14 C13 3.2(9) . . . . ?
Ru2 O7 C14 C15 -176.9(4) . . . . ?
O9 Ru2 O1 Ru1 92.8(3) . . . . ?
O9 C19 C18 C17 3.2(11) . . . . ?
O4 C7 C8 C9 1.4(13) . . . . ?
O8 C17 C18 C19 -6.1(11) . . . . ?
O2 Ru1 O1 Ru2 88.4(3) . . . . ?
O2 C2 C3 C4 3.3(12) . . . . ?
O3 Ru1 O1 Ru2 -177.8(3) . . . . ?
O3 C4 C3 C2 -6.6(12) . . . . ?
O6 Ru2 O1 Ru1 -86.0(3) . . . . ?
O6 C12 C13 C14 -0.3(11) . . . . ?
O5 Ru1 O1 Ru2 -90.0(3) . . . . ?
O5 C9 C8 C7 -2.2(13) . . . . ?
O7 Ru2 O1 Ru1 179.5(3) . . . . ?
C22 N1 N2 Ru2 -177.8(4) . . . . ?
C22 N1 N2 C24 0.7(7) . . . . ?
C22 C23 C24 C25 178.6(7) . . . . ?
C22 C23 C24 N2 -0.6(7) . . . . ?
C11 C12 C13 C14 -180.0(7) . . . . ?
N1 Ru1 O1 Ru2 -0.3(3) . . . . ?
N1 C22 C23 C24 1.0(7) . . . . ?
C6 C7 C8 C9 -175.7(8) . . . . ?
C5 C4 C3 C2 173.6(7) . . . . ?
C12 C13 C14 O7 -1.3(11) . . . . ?
C12 C13 C14 C15 178.8(7) . . . . ?
C21 C22 N1 Ru1 1.1(10) . . . . ?
C21 C22 N1 N2 178.5(6) . . . . ?
C21 C22 C23 C24 -178.5(7) . . . . ?
C16 C17 C18 C19 169.7(7) . . . . ?
C23 C22 N1 Ru1 -178.4(4) . . . . ?
C23 C22 N1 N2 -1.0(7) . . . . ?
C23 C24 N2 Ru2 178.1(4) . . . . ?
C23 C24 N2 N1 0.0(7) . . . . ?
C10 C9 C8 C7 179.2(8) . . . . ?
C1 C2 C3 C4 -175.9(7) . . . . ?
C25 C24 N2 Ru2 -1.1(10) . . . . ?
C25 C24 N2 N1 -179.3(6) . . . . ?
C20 C19 C18 C17 -174.4(6) . . . . ?
N2 Ru2 O1 Ru1 0.3(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 74.3 10.9 ?
2 0.000 0.000 0.500 74.3 10.9 ?
3 0.500 0.500 0.500 74.3 10.9 ?
4 0.500 0.500 1.000 74.3 10.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.615
_oxdiff_exptl_absorpt_empirical_full_min 0.532
####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 2099131'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H33 N2 O9 Ru2'
_chemical_formula_sum            'C24 H33 N2 O9 Ru2'
_chemical_formula_weight         695.66
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   31.0077(16)
_cell_length_b                   8.1608(3)
_cell_length_c                   23.5756(12)
_cell_angle_alpha                90
_cell_angle_beta                 105.161(5)
_cell_angle_gamma                90
_cell_volume                     5758.1(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6316
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.8250
_cell_measurement_theta_min      2.5700
_shelx_estimated_absorpt_T_max   0.909
_shelx_estimated_absorpt_T_min   0.806
_exptl_absorpt_coefficient_mu    1.099
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic pinkish pink'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   pinkish
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.089
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            15861
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.201
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ    -25.75 154.25   1.00    2.00 -25.75   0.00  73.76    --   180
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0082044000
_diffrn_orient_matrix_UB_12      -0.0068803000
_diffrn_orient_matrix_UB_13      -0.0309463000
_diffrn_orient_matrix_UB_21      0.0197481500
_diffrn_orient_matrix_UB_22      -0.0421156500
_diffrn_orient_matrix_UB_23      -0.0012522000
_diffrn_orient_matrix_UB_31      -0.0102287000
_diffrn_orient_matrix_UB_32      -0.0756989000
_diffrn_orient_matrix_UB_33      0.0035102000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4494
_reflns_number_total             5024
_reflns_odcompleteness_completeness 83.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.64
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.416
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5024
_refine_ls_number_restraints     318
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.030
_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)+(0.0401P)²+14.5084P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0836
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 1.7A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 1.7A
Uanis(C23) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C22) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C18(H18), C21(H21), C8(H8), C22(H22), C3(H3)
4.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C16(H16A,H16B,H16C), C5(H5A,H5B,H5C), C20(H20A,H20B,
 H20C), C15(H15A,H15B,H15C), C10(H10A,H10B,H10C), C1(H1A,H1B,H1C), C6(H6A,H6B,
 H6C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.40775(2) 0.78502(3) 0.59962(2) 0.02328(9) Uani 1 1 d . U . . .
Ru2 Ru 0.32962(2) 0.67126(3) 0.67032(2) 0.02433(10) Uani 1 1 d . U . . .
O1 O 0.38451(8) 0.7608(3) 0.66524(10) 0.0268(5) Uani 1 1 d . U . . .
O9 O 0.30342(8) 0.8994(3) 0.66248(11) 0.0306(6) Uani 1 1 d . U . . .
O6 O 0.35276(8) 0.4406(3) 0.67727(11) 0.0276(5) Uani 1 1 d . U . . .
O2 O 0.43358(8) 0.5578(3) 0.60976(11) 0.0301(5) Uani 1 1 d . U . . .
O7 O 0.34530(8) 0.7067(3) 0.75913(11) 0.0321(6) Uani 1 1 d . U . . .
O4 O 0.43152(9) 0.8052(3) 0.52805(12) 0.0361(6) Uani 1 1 d . U . . .
O5 O 0.38118(8) 1.0104(3) 0.58607(11) 0.0302(6) Uani 1 1 d . U . . .
O8 O 0.27065(8) 0.5761(3) 0.67478(11) 0.0325(6) Uani 1 1 d . U . . .
O3 O 0.46569(8) 0.8895(3) 0.64680(11) 0.0303(5) Uani 1 1 d . U . . .
N1 N 0.34801(10) 0.6899(3) 0.55305(12) 0.0263(6) Uani 1 1 d . U . . .
N2 N 0.31622(10) 0.6417(3) 0.58065(13) 0.0280(6) Uani 1 1 d . U . . .
C17 C 0.23652(12) 0.6582(5) 0.67863(16) 0.0310(8) Uani 1 1 d . U . . .
C19 C 0.26567(12) 0.9382(4) 0.67063(15) 0.0300(8) Uani 1 1 d . U . . .
C14 C 0.36478(12) 0.5989(5) 0.79537(16) 0.0330(8) Uani 1 1 d . U . . .
C13 C 0.37687(12) 0.4416(5) 0.78170(17) 0.0325(8) Uani 1 1 d . U . . .
H13 H 0.391243 0.374506 0.814060 0.039 Uiso 1 1 calc R U . . .
C12 C 0.37027(11) 0.3715(4) 0.72603(16) 0.0283(8) Uani 1 1 d . U . . .
C2 C 0.47289(12) 0.5256(5) 0.64139(17) 0.0311(8) Uani 1 1 d . U . . .
C18 C 0.23398(13) 0.8286(5) 0.67997(18) 0.0358(9) Uani 1 1 d . U . . .
H18 H 0.208028 0.874146 0.688056 0.043 Uiso 1 1 calc R U . . .
C7 C 0.42911(17) 0.9361(5) 0.49621(19) 0.0478(11) Uani 1 1 d . U . . .
C9 C 0.38415(14) 1.1084(5) 0.54531(17) 0.0355(9) Uani 1 1 d . U . . .
C11 C 0.38482(14) 0.1977(5) 0.7203(2) 0.0388(9) Uani 1 1 d . U . . .
H11A H 0.361117 0.138917 0.691978 0.058 Uiso 1 1 calc R U . . .
H11B H 0.390728 0.143257 0.758666 0.058 Uiso 1 1 calc R U . . .
H11C H 0.412082 0.197704 0.706701 0.058 Uiso 1 1 calc R U . . .
C4 C 0.50031(12) 0.8077(5) 0.67131(16) 0.0309(8) Uani 1 1 d . U . . .
C16 C 0.19623(14) 0.5566(5) 0.6792(2) 0.0457(10) Uani 1 1 d . U . . .
H16A H 0.181951 0.518640 0.639296 0.069 Uiso 1 1 calc R U . . .
H16B H 0.175015 0.623140 0.693671 0.069 Uiso 1 1 calc R U . . .
H16C H 0.205439 0.461899 0.705108 0.069 Uiso 1 1 calc R U . . .
C5 C 0.53928(13) 0.9085(5) 0.70374(18) 0.0404(9) Uani 1 1 d . U . . .
H5A H 0.552867 0.962459 0.675518 0.061 Uiso 1 1 calc R U . . .
H5B H 0.561411 0.837457 0.729622 0.061 Uiso 1 1 calc R U . . .
H5C H 0.529101 0.991629 0.727307 0.061 Uiso 1 1 calc R U . . .
C20 C 0.25561(14) 1.1185(5) 0.66755(19) 0.0397(9) Uani 1 1 d . U . . .
H20A H 0.282897 1.179725 0.685829 0.060 Uiso 1 1 calc R U . . .
H20B H 0.232824 1.141780 0.688469 0.060 Uiso 1 1 calc R U . . .
H20C H 0.244531 1.151746 0.626352 0.060 Uiso 1 1 calc R U . . .
C21 C 0.33206(15) 0.6574(5) 0.49521(16) 0.0402(10) Uani 1 1 d . U . . .
H21 H 0.347328 0.678296 0.465891 0.048 Uiso 1 1 calc R U . . .
C23 C 0.28171(13) 0.5793(5) 0.5400(2) 0.0420(10) Uani 1 1 d . U . . .
C15 C 0.37640(15) 0.6500(6) 0.85938(18) 0.0475(11) Uani 1 1 d . U . . .
H15A H 0.370688 0.767480 0.862041 0.071 Uiso 1 1 calc R U . . .
H15B H 0.408039 0.627360 0.877540 0.071 Uiso 1 1 calc R U . . .
H15C H 0.357975 0.588197 0.879938 0.071 Uiso 1 1 calc R U . . .
C8 C 0.40783(19) 1.0776(5) 0.5038(2) 0.0567(13) Uani 1 1 d . U . . .
H8 H 0.409352 1.165002 0.477726 0.068 Uiso 1 1 calc R U . . .
C10 C 0.35987(17) 1.2667(5) 0.5441(2) 0.0501(12) Uani 1 1 d . U . . .
H10A H 0.334962 1.271749 0.508642 0.075 Uiso 1 1 calc R U . . .
H10B H 0.380395 1.357973 0.544032 0.075 Uiso 1 1 calc R U . . .
H10C H 0.348312 1.274421 0.578959 0.075 Uiso 1 1 calc R U . . .
C1 C 0.48427(15) 0.3465(5) 0.6466(2) 0.0482(11) Uani 1 1 d . U . . .
H1A H 0.466402 0.291906 0.669718 0.072 Uiso 1 1 calc R U . . .
H1B H 0.516089 0.333129 0.666181 0.072 Uiso 1 1 calc R U . . .
H1C H 0.477741 0.297596 0.607311 0.072 Uiso 1 1 calc R U . . .
C22 C 0.29031(15) 0.5894(5) 0.48547(19) 0.0486(11) Uani 1 1 d . U . . .
H22 H 0.271245 0.556127 0.448819 0.058 Uiso 1 1 calc R U . . .
C3 C 0.50419(13) 0.6378(5) 0.67050(18) 0.0363(9) Uani 1 1 d . U . . .
H3 H 0.531797 0.593751 0.692734 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4507(2) 0.9176(7) 0.4458(3) 0.086(2) Uani 1 1 d . U . . .
H6A H 0.479517 0.861637 0.459733 0.129 Uiso 1 1 calc R U . . .
H6B H 0.455480 1.026235 0.430719 0.129 Uiso 1 1 calc R U . . .
H6C H 0.431149 0.853167 0.414302 0.129 Uiso 1 1 calc R U . . .
C24 C 0.2419(2) 0.5027(8) 0.5468(3) 0.0831(17) Uani 1 1 d . U . . .
H24A H 0.249418 0.428989 0.580818 0.125 Uiso 1 1 calc R U . . .
H24B H 0.227985 0.439772 0.511368 0.125 Uiso 1 1 calc R U . . .
H24C H 0.221050 0.586834 0.553016 0.125 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O1 1.880(2) . ?
Ru1 O2 2.009(2) . ?
Ru1 O4 2.017(3) . ?
Ru1 O5 2.006(2) . ?
Ru1 O3 2.036(2) . ?
Ru1 N1 2.044(3) . ?
Ru2 O1 1.885(2) . ?
Ru2 O9 2.020(2) . ?
Ru2 O6 2.006(2) . ?
Ru2 O7 2.042(2) . ?
Ru2 O8 2.015(2) . ?
Ru2 N2 2.059(3) . ?
O9 C19 1.275(4) . ?
O6 C12 1.268(4) . ?
O2 C2 1.279(4) . ?
O7 C14 1.265(5) . ?
O4 C7 1.296(5) . ?
O5 C9 1.272(5) . ?
O8 C17 1.275(4) . ?
O3 C4 1.268(4) . ?
N1 N2 1.373(4) . ?
N1 C21 1.350(5) . ?
N2 C23 1.337(5) . ?
C17 C18 1.394(5) . ?
C17 C16 1.502(5) . ?
C19 C18 1.389(5) . ?
C19 C20 1.502(5) . ?
C14 C13 1.398(6) . ?
C14 C15 1.516(5) . ?
C13 H13 0.9500 . ?
C13 C12 1.397(5) . ?
C12 C11 1.505(5) . ?
C2 C1 1.501(5) . ?
C2 C3 1.380(6) . ?
C18 H18 0.9500 . ?
C7 C8 1.365(6) . ?
C7 C6 1.518(6) . ?
C9 C8 1.392(6) . ?
C9 C10 1.492(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C4 C5 1.496(5) . ?
C4 C3 1.392(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 0.9500 . ?
C21 C22 1.371(6) . ?
C23 C22 1.381(6) . ?
C23 C24 1.430(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C8 H8 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C22 H22 0.9500 . ?
C3 H3 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ru1 O2 91.82(10) . . ?
O1 Ru1 O4 178.25(11) . . ?
O1 Ru1 O5 89.86(10) . . ?
O1 Ru1 O3 93.88(10) . . ?
O1 Ru1 N1 85.04(11) . . ?
O2 Ru1 O4 87.32(10) . . ?
O2 Ru1 O3 93.11(10) . . ?
O2 Ru1 N1 89.45(11) . . ?
O4 Ru1 O3 87.69(11) . . ?
O4 Ru1 N1 93.42(11) . . ?
O5 Ru1 O2 177.75(10) . . ?
O5 Ru1 O4 90.96(10) . . ?
O5 Ru1 O3 88.27(10) . . ?
O5 Ru1 N1 89.20(11) . . ?
O3 Ru1 N1 177.26(10) . . ?
O1 Ru2 O9 89.14(10) . . ?
O1 Ru2 O6 93.41(10) . . ?
O1 Ru2 O7 91.92(10) . . ?
O1 Ru2 O8 179.35(11) . . ?
O1 Ru2 N2 85.61(11) . . ?
O9 Ru2 O7 86.88(10) . . ?
O9 Ru2 N2 92.62(10) . . ?
O6 Ru2 O9 177.35(10) . . ?
O6 Ru2 O7 93.73(10) . . ?
O6 Ru2 O8 86.80(10) . . ?
O6 Ru2 N2 86.89(10) . . ?
O7 Ru2 N2 177.48(11) . . ?
O8 Ru2 O9 90.64(10) . . ?
O8 Ru2 O7 88.68(10) . . ?
O8 Ru2 N2 93.79(11) . . ?
Ru1 O1 Ru2 129.78(13) . . ?
C19 O9 Ru2 125.3(2) . . ?
C12 O6 Ru2 123.4(2) . . ?
C2 O2 Ru1 123.3(2) . . ?
C14 O7 Ru2 122.5(2) . . ?
C7 O4 Ru1 125.0(3) . . ?
C9 O5 Ru1 126.1(2) . . ?
C17 O8 Ru2 125.6(2) . . ?
C4 O3 Ru1 123.3(2) . . ?
N2 N1 Ru1 121.1(2) . . ?
C21 N1 Ru1 131.2(3) . . ?
C21 N1 N2 107.7(3) . . ?
N1 N2 Ru2 118.4(2) . . ?
C23 N2 Ru2 133.6(3) . . ?
C23 N2 N1 108.0(3) . . ?
O8 C17 C18 125.3(3) . . ?
O8 C17 C16 114.8(3) . . ?
C18 C17 C16 119.9(3) . . ?
O9 C19 C18 125.4(3) . . ?
O9 C19 C20 115.1(3) . . ?
C18 C19 C20 119.5(3) . . ?
O7 C14 C13 126.3(3) . . ?
O7 C14 C15 115.4(4) . . ?
C13 C14 C15 118.3(4) . . ?
C14 C13 H13 116.2 . . ?
C12 C13 C14 127.6(3) . . ?
C12 C13 H13 116.2 . . ?
O6 C12 C13 126.3(3) . . ?
O6 C12 C11 113.9(3) . . ?
C13 C12 C11 119.7(3) . . ?
O2 C2 C1 114.6(3) . . ?
O2 C2 C3 126.3(3) . . ?
C3 C2 C1 119.1(4) . . ?
C17 C18 H18 116.8 . . ?
C19 C18 C17 126.4(3) . . ?
C19 C18 H18 116.8 . . ?
O4 C7 C8 125.4(4) . . ?
O4 C7 C6 113.7(4) . . ?
C8 C7 C6 120.9(4) . . ?
O5 C9 C8 125.0(4) . . ?
O5 C9 C10 115.0(4) . . ?
C8 C9 C10 120.0(4) . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C4 C5 114.7(3) . . ?
O3 C4 C3 125.7(4) . . ?
C3 C4 C5 119.6(4) . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C21 H21 125.4 . . ?
N1 C21 C22 109.2(4) . . ?
C22 C21 H21 125.4 . . ?
N2 C23 C22 109.4(4) . . ?
N2 C23 C24 129.6(5) . . ?
C22 C23 C24 120.9(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C7 C8 C9 127.3(4) . . ?
C7 C8 H8 116.3 . . ?
C9 C8 H8 116.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
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 . . ?
C21 C22 C23 105.8(4) . . ?
C21 C22 H22 127.1 . . ?
C23 C22 H22 127.1 . . ?
C2 C3 C4 128.0(4) . . ?
C2 C3 H3 116.0 . . ?
C4 C3 H3 116.0 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

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 C2 C1 175.6(3) . . . . ?
Ru1 O2 C2 C3 -3.6(5) . . . . ?
Ru1 O4 C7 C8 -4.2(7) . . . . ?
Ru1 O4 C7 C6 178.6(4) . . . . ?
Ru1 O5 C9 C8 -2.2(6) . . . . ?
Ru1 O5 C9 C10 178.0(3) . . . . ?
Ru1 O3 C4 C5 179.9(2) . . . . ?
Ru1 O3 C4 C3 -0.6(5) . . . . ?
Ru1 N1 N2 Ru2 1.1(3) . . . . ?
Ru1 N1 N2 C23 -177.7(2) . . . . ?
Ru1 N1 C21 C22 178.3(3) . . . . ?
Ru2 O9 C19 C18 -7.4(5) . . . . ?
Ru2 O9 C19 C20 174.6(2) . . . . ?
Ru2 O6 C12 C13 -0.8(5) . . . . ?
Ru2 O6 C12 C11 179.5(2) . . . . ?
Ru2 O7 C14 C13 -2.5(5) . . . . ?
Ru2 O7 C14 C15 176.3(2) . . . . ?
Ru2 O8 C17 C18 0.5(5) . . . . ?
Ru2 O8 C17 C16 178.0(3) . . . . ?
Ru2 N2 C23 C22 -179.8(3) . . . . ?
Ru2 N2 C23 C24 -3.3(7) . . . . ?
O9 Ru2 O1 Ru1 -95.15(17) . . . . ?
O9 C19 C18 C17 -4.1(7) . . . . ?
O6 Ru2 O1 Ru1 84.16(17) . . . . ?
O2 Ru1 O1 Ru2 -86.47(17) . . . . ?
O2 C2 C3 C4 -0.9(7) . . . . ?
O7 Ru2 O1 Ru1 178.01(16) . . . . ?
O7 C14 C13 C12 0.3(6) . . . . ?
O4 C7 C8 C9 -1.5(9) . . . . ?
O5 Ru1 O1 Ru2 92.02(17) . . . . ?
O5 C9 C8 C7 5.0(9) . . . . ?
O8 C17 C18 C19 8.0(7) . . . . ?
O3 Ru1 O1 Ru2 -179.72(16) . . . . ?
O3 C4 C3 C2 3.3(7) . . . . ?
N1 Ru1 O1 Ru2 2.81(17) . . . . ?
N1 N2 C23 C22 -1.2(4) . . . . ?
N1 N2 C23 C24 175.2(5) . . . . ?
N1 C21 C22 C23 -0.9(4) . . . . ?
N2 Ru2 O1 Ru1 -2.45(17) . . . . ?
N2 N1 C21 C22 0.2(4) . . . . ?
N2 C23 C22 C21 1.3(4) . . . . ?
C14 C13 C12 O6 1.7(6) . . . . ?
C14 C13 C12 C11 -178.6(4) . . . . ?
C16 C17 C18 C19 -169.4(4) . . . . ?
C5 C4 C3 C2 -177.2(4) . . . . ?
C20 C19 C18 C17 173.8(4) . . . . ?
C21 N1 N2 Ru2 179.4(2) . . . . ?
C21 N1 N2 C23 0.6(4) . . . . ?
C15 C14 C13 C12 -178.5(4) . . . . ?
C10 C9 C8 C7 -175.2(5) . . . . ?
C1 C2 C3 C4 179.9(4) . . . . ?
C6 C7 C8 C9 175.5(5) . . . . ?
C24 C23 C22 C21 -175.5(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 80.0 36.8 ?
2 0.000 0.000 0.500 80.0 36.8 ?
3 0.500 0.500 0.500 80.0 36.8 ?
4 0.500 0.500 1.000 80.0 36.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.116
_oxdiff_exptl_absorpt_empirical_full_min 0.896
####################################################################### 
# 
# 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_3a
_database_code_depnum_ccdc_archive 'CCDC 2080914'
loop_
_audit_author_name
_audit_author_address
'Sudip Kumar Bera'
;Department of Chemistry, IIT Bombay
India
;
_audit_update_record             
;
2021-07-25 deposited with the CCDC.	2021-11-04 downloaded from the CCDC.
;
_audit_creation_date             2021-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 N16 O Ru2'
_chemical_formula_sum            'C24 H30 N16 O Ru2'
_chemical_formula_weight         760.78
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      tetragonal
_space_group_IT_number           110
_space_group_name_H-M_alt        'I 41 c d'
_space_group_name_Hall           'I 4bw -2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-y, x+1/2, z+1/4'
'y+1/2, -x, z+3/4'
'x, -y, z+1/2'
'-x+1/2, y+1/2, z'
'-y, -x+1/2, z+3/4'
'y+1/2, x, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1, z+1'
'-y+1/2, x+1, z+3/4'
'y+1, -x+1/2, z+5/4'
'x+1/2, -y+1/2, z+1'
'-x+1, y+1, z+1/2'
'-y+1/2, -x+1, z+5/4'
'y+1, x+1/2, z+3/4'

_cell_length_a                   29.6769(4)
_cell_length_b                   29.6769(4)
_cell_length_c                   15.2915(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13467.5(5)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    13797
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.7740
_cell_measurement_theta_min      2.7430
_shelx_estimated_absorpt_T_max   0.951
_shelx_estimated_absorpt_T_min   0.910
_exptl_absorpt_coefficient_mu    0.941
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6080
_exptl_crystal_size_max          0.102
_exptl_crystal_size_mid          0.088
_exptl_crystal_size_min          0.054
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0786
_diffrn_reflns_av_unetI/netI     0.0522
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35667
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.170
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  19.00   0.50    8.00    --  -20.00 -72.00-108.00  258
  2  ω    -47.00  70.00   0.50    8.00    --  -20.00  72.00-108.00  234
  3  ω    -30.00   0.00   0.50    8.00    --  -20.00   0.00-180.00   60
  4  ω    -30.00 -18.00   0.50    8.00    --  -20.00   0.00-180.00   24
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0099305000
_diffrn_orient_matrix_UB_12      0.0040042000
_diffrn_orient_matrix_UB_13      0.0414780000
_diffrn_orient_matrix_UB_21      -0.0072544000
_diffrn_orient_matrix_UB_22      -0.0215307000
_diffrn_orient_matrix_UB_23      0.0143863000
_diffrn_orient_matrix_UB_31      0.0205016000
_diffrn_orient_matrix_UB_32      -0.0095449000
_diffrn_orient_matrix_UB_33      -0.0150022000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                4800
_reflns_number_total             5912
_reflns_odcompleteness_completeness 95.19
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.11
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         3.259
_refine_diff_density_min         -1.391
_refine_diff_density_rms         0.217
_refine_ls_abs_structure_details 
;
 Flack x determined using 1859 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5912
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0637
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0991P)²+25.0135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.1745
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(N4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
Uanis(O1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
Uanis(C23) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C2) \\sim
Ueq, Uanis(N7) \\sim Ueq, Uanis(N1) \\sim Ueq: with sigma of 0.001 and sigma
for terminal atoms of 0.001
Uanis(C10) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
3.a Aromatic/amide H refined with riding coordinates:
 N10(H10), N2(H2), N6(H6), C3(H3), C8(H8), C2(H2A), C5(H5), C12(H12), C18(H18),
  C14(H14), C6(H6A), C1(H1), C9(H9), C23(H23), N8(H8A), C20(H20), C13(H13),
 C7(H7), C17(H17), C4(H4), C15(H15), C11(H11), C22(H22), C21(H21), C24(H24),
 C16(H16), C10(H10A), C19(H19)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru2 Ru 0.74938(3) 0.54655(3) 0.51640(6) 0.0149(3) Uani 1 1 d . . . . .
Ru1 Ru 0.74711(3) 0.43924(3) 0.51561(6) 0.0158(3) Uani 1 1 d . . . . .
N3 N 0.7475(3) 0.3790(4) 0.5904(7) 0.023(2) Uani 1 1 d . . . . .
O1 O 0.74835(19) 0.4932(2) 0.4487(6) 0.0159(18) Uani 1 1 d . U . . .
N4 N 0.7480(3) 0.3364(3) 0.5503(7) 0.022(2) Uani 1 1 d . U . . .
N10 N 0.7505(3) 0.5962(4) 0.6885(7) 0.026(2) Uani 1 1 d . . . . .
H10 H 0.752769 0.570390 0.713798 0.031 Uiso 1 1 calc R U . . .
N9 N 0.7494(3) 0.6034(3) 0.6010(7) 0.023(2) Uani 1 1 d . . . . .
N5 N 0.7975(3) 0.4140(3) 0.4333(6) 0.021(2) Uani 1 1 d . . . . .
N7 N 0.6997(3) 0.5770(3) 0.4410(6) 0.019(2) Uani 1 1 d . U . . .
N1 N 0.6957(3) 0.4135(3) 0.4323(6) 0.019(2) Uani 1 1 d . U . . .
N11 N 0.8013(3) 0.5746(3) 0.4415(6) 0.021(2) Uani 1 1 d . . . . .
N2 N 0.6867(3) 0.3692(3) 0.4211(8) 0.036(3) Uani 1 1 d . . . . .
H2 H 0.700982 0.347715 0.446627 0.043 Uiso 1 1 calc R U . . .
N6 N 0.8067(3) 0.3693(3) 0.4232(7) 0.026(2) Uani 1 1 d . . . . .
H6 H 0.792518 0.347761 0.449007 0.031 Uiso 1 1 calc R U . . .
N15 N 0.7946(3) 0.4685(3) 0.5907(6) 0.017(2) Uani 1 1 d . . . . .
C3 C 0.6527(4) 0.3633(4) 0.3652(8) 0.027(3) Uani 1 1 d . . . . .
H3 H 0.641279 0.335806 0.346277 0.032 Uiso 1 1 calc R U . . .
C8 C 0.8550(4) 0.4038(4) 0.3422(8) 0.028(3) Uani 1 1 d . U . . .
H8 H 0.878898 0.410196 0.304698 0.034 Uiso 1 1 calc R U . . .
C2 C 0.6383(4) 0.4035(4) 0.3418(8) 0.027(3) Uani 1 1 d . U . . .
H2A H 0.614394 0.410207 0.304639 0.033 Uiso 1 1 calc R U . . .
C5 C 0.7476(4) 0.3313(5) 0.6992(10) 0.035(3) Uani 1 1 d . . . . .
H5 H 0.747146 0.318797 0.754934 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6655(4) 0.6244(5) 0.3553(8) 0.036(3) Uani 1 1 d . . . . .
H12 H 0.660132 0.649843 0.321272 0.043 Uiso 1 1 calc R U . . .
C18 C 0.8344(5) 0.6191(5) 0.3468(9) 0.041(4) Uani 1 1 d . . . . .
H18 H 0.839247 0.642985 0.308534 0.050 Uiso 1 1 calc R U . . .
C14 C 0.7444(4) 0.6694(4) 0.6696(10) 0.040(4) Uani 1 1 d . . . . .
H14 H 0.742299 0.700226 0.679890 0.048 Uiso 1 1 calc R U . . .
N14 N 0.7011(3) 0.5160(4) 0.5914(6) 0.020(2) Uani 1 1 d . . . . .
C6 C 0.7481(4) 0.3749(5) 0.6788(10) 0.033(3) Uani 1 1 d . . . . .
H6A H 0.748650 0.398668 0.718548 0.040 Uiso 1 1 calc R U . . .
C1 C 0.6669(4) 0.4344(4) 0.3851(9) 0.035(3) Uani 1 1 d . . . . .
H1 H 0.665079 0.465548 0.379943 0.042 Uiso 1 1 calc R U . . .
C9 C 0.8262(4) 0.4347(4) 0.3840(9) 0.031(3) Uani 1 1 d . . . . .
H9 H 0.827653 0.465826 0.377159 0.037 Uiso 1 1 calc R U . . .
C23 C 0.8533(4) 0.4889(4) 0.6726(8) 0.025(3) Uani 1 1 d . U . . .
H23 H 0.878798 0.487916 0.707787 0.030 Uiso 1 1 calc R U . . .
N8 N 0.7043(4) 0.6149(4) 0.3959(7) 0.039(3) Uani 1 1 d . . . . .
H8A H 0.728474 0.630866 0.393152 0.047 Uiso 1 1 calc R U . . .
N16 N 0.7971(3) 0.5140(3) 0.5907(6) 0.015(2) Uani 1 1 d . . . . .
C20 C 0.6438(4) 0.4961(4) 0.6766(9) 0.030(3) Uani 1 1 d . . . . .
H20 H 0.618872 0.497125 0.713359 0.036 Uiso 1 1 calc R U . . .
C13 C 0.7451(4) 0.6463(4) 0.5878(9) 0.031(3) Uani 1 1 d . . . . .
H13 H 0.742810 0.659915 0.533218 0.037 Uiso 1 1 calc R U . . .
N12 N 0.7954(3) 0.6102(3) 0.3881(7) 0.033(3) Uani 1 1 d . . . . .
C7 C 0.8407(4) 0.3637(4) 0.3679(8) 0.025(3) Uani 1 1 d . U . . .
H7 H 0.852497 0.336189 0.350101 0.030 Uiso 1 1 calc R U . . .
C17 C 0.8649(4) 0.5886(4) 0.3693(8) 0.031(3) Uani 1 1 d . . . . .
H17 H 0.894241 0.585831 0.348748 0.037 Uiso 1 1 calc R U . . .
N13 N 0.7003(3) 0.4705(3) 0.5931(6) 0.016(2) Uani 1 1 d . . . . .
C4 C 0.7480(4) 0.3073(4) 0.6172(9) 0.035(3) Uani 1 1 d . . . . .
H4 H 0.748221 0.276106 0.611617 0.042 Uiso 1 1 calc R U . . .
C15 C 0.7474(4) 0.6356(5) 0.7283(10) 0.035(3) Uani 1 1 d . . . . .
H15 H 0.747337 0.639574 0.788636 0.042 Uiso 1 1 calc R U . . .
C11 C 0.6358(4) 0.5920(4) 0.3714(9) 0.036(3) Uani 1 1 d . . . . .
H11 H 0.606823 0.589295 0.348738 0.044 Uiso 1 1 calc R U . . .
C22 C 0.8283(4) 0.4528(4) 0.6427(8) 0.022(3) Uani 1 1 d . . . . .
H22 H 0.833664 0.422675 0.656005 0.026 Uiso 1 1 calc R U . . .
C21 C 0.6668(4) 0.5322(4) 0.6412(7) 0.023(3) Uani 1 1 d . . . . .
H21 H 0.660022 0.562488 0.650067 0.027 Uiso 1 1 calc R U . . .
C24 C 0.8326(4) 0.5266(4) 0.6396(8) 0.023(3) Uani 1 1 d . . . . .
H24 H 0.841703 0.556197 0.649447 0.027 Uiso 1 1 calc R U . . .
C16 C 0.8431(4) 0.5616(4) 0.4306(9) 0.032(3) Uani 1 1 d . . . . .
H16 H 0.856438 0.537634 0.459897 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6571(4) 0.5631(4) 0.4288(8) 0.030(3) Uani 1 1 d . U . . .
H10A H 0.644075 0.537998 0.454910 0.036 Uiso 1 1 calc R U . . .
C19 C 0.6659(4) 0.4576(4) 0.6456(8) 0.026(3) Uani 1 1 d . . . . .
H19 H 0.658116 0.428045 0.658767 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru2 O1 1.893(8) . ?
Ru2 N9 2.126(10) . ?
Ru2 N7 2.077(9) . ?
Ru2 N11 2.094(10) . ?
Ru2 N14 2.047(10) . ?
Ru2 N16 2.057(10) . ?
Ru1 N3 2.123(10) . ?
Ru1 O1 1.900(8) . ?
Ru1 N5 2.094(9) . ?
Ru1 N1 2.129(9) . ?
Ru1 N15 2.013(9) . ?
Ru1 N13 2.048(9) . ?
N3 N4 1.405(15) . ?
N3 C6 1.357(18) . ?
N4 C4 1.339(16) . ?
N10 H10 0.8600 . ?
N10 N9 1.355(14) . ?
N10 C15 1.323(18) . ?
N9 C13 1.295(17) . ?
N5 N6 1.365(13) . ?
N5 C9 1.292(15) . ?
N7 N8 1.326(14) . ?
N7 C10 1.343(15) . ?
N1 N2 1.351(13) . ?
N1 C1 1.280(14) . ?
N11 N12 1.346(13) . ?
N11 C16 1.308(15) . ?
N2 H2 0.8600 . ?
N2 C3 1.333(15) . ?
N6 H6 0.8600 . ?
N6 C7 1.327(15) . ?
N15 N16 1.353(13) . ?
N15 C22 1.361(14) . ?
C3 H3 0.9300 . ?
C3 C2 1.318(17) . ?
C8 H8 0.9300 . ?
C8 C9 1.408(16) . ?
C8 C7 1.324(16) . ?
C2 H2A 0.9300 . ?
C2 C1 1.413(16) . ?
C5 H5 0.9300 . ?
C5 C6 1.33(2) . ?
C5 C4 1.44(2) . ?
C12 H12 0.9300 . ?
C12 N8 1.339(16) . ?
C12 C11 1.328(18) . ?
C18 H18 0.9300 . ?
C18 N12 1.344(16) . ?
C18 C17 1.325(19) . ?
C14 H14 0.9300 . ?
C14 C13 1.43(2) . ?
C14 C15 1.35(2) . ?
N14 N13 1.352(14) . ?
N14 C21 1.358(14) . ?
C6 H6A 0.9300 . ?
C1 H1 0.9300 . ?
C9 H9 0.9300 . ?
C23 H23 0.9300 . ?
C23 C22 1.381(16) . ?
C23 C24 1.372(15) . ?
N8 H8A 0.8600 . ?
N16 C24 1.346(15) . ?
C20 H20 0.9300 . ?
C20 C21 1.382(16) . ?
C20 C19 1.399(16) . ?
C13 H13 0.9300 . ?
C7 H7 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.392(17) . ?
N13 C19 1.355(14) . ?
C4 H4 0.9300 . ?
C15 H15 0.9300 . ?
C11 H11 0.9300 . ?
C11 C10 1.381(17) . ?
C22 H22 0.9300 . ?
C21 H21 0.9300 . ?
C24 H24 0.9300 . ?
C16 H16 0.9300 . ?
C10 H10A 0.9300 . ?
C19 H19 0.9300 . ?

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
O1 Ru2 N9 175.6(4) . . ?
O1 Ru2 N7 92.8(3) . . ?
O1 Ru2 N11 92.6(3) . . ?
O1 Ru2 N14 85.7(4) . . ?
O1 Ru2 N16 85.4(3) . . ?
N7 Ru2 N9 89.6(4) . . ?
N7 Ru2 N11 92.6(4) . . ?
N11 Ru2 N9 91.0(4) . . ?
N14 Ru2 N9 90.6(4) . . ?
N14 Ru2 N7 90.4(4) . . ?
N14 Ru2 N11 176.6(4) . . ?
N14 Ru2 N16 88.0(4) . . ?
N16 Ru2 N9 92.1(4) . . ?
N16 Ru2 N7 177.7(3) . . ?
N16 Ru2 N11 89.0(4) . . ?
N3 Ru1 N1 91.4(4) . . ?
O1 Ru1 N3 178.6(3) . . ?
O1 Ru1 N5 87.9(3) . . ?
O1 Ru1 N1 89.7(3) . . ?
O1 Ru1 N15 86.0(3) . . ?
O1 Ru1 N13 86.8(3) . . ?
N5 Ru1 N3 91.1(4) . . ?
N5 Ru1 N1 91.4(4) . . ?
N15 Ru1 N3 93.0(4) . . ?
N15 Ru1 N5 89.8(3) . . ?
N15 Ru1 N1 175.5(3) . . ?
N15 Ru1 N13 87.1(4) . . ?
N13 Ru1 N3 94.2(4) . . ?
N13 Ru1 N5 174.0(3) . . ?
N13 Ru1 N1 91.4(4) . . ?
N4 N3 Ru1 121.5(7) . . ?
C6 N3 Ru1 127.7(10) . . ?
C6 N3 N4 110.8(10) . . ?
Ru2 O1 Ru1 114.2(4) . . ?
C4 N4 N3 104.2(10) . . ?
N9 N10 H10 125.9 . . ?
C15 N10 H10 125.9 . . ?
C15 N10 N9 108.2(11) . . ?
N10 N9 Ru2 118.4(8) . . ?
C13 N9 Ru2 133.2(9) . . ?
C13 N9 N10 108.2(11) . . ?
N6 N5 Ru1 123.9(7) . . ?
C9 N5 Ru1 130.7(8) . . ?
C9 N5 N6 105.4(9) . . ?
N8 N7 Ru2 125.8(8) . . ?
N8 N7 C10 106.5(10) . . ?
C10 N7 Ru2 127.7(8) . . ?
N2 N1 Ru1 124.6(7) . . ?
C1 N1 Ru1 129.9(8) . . ?
C1 N1 N2 105.5(10) . . ?
N12 N11 Ru2 123.2(7) . . ?
C16 N11 Ru2 130.6(8) . . ?
C16 N11 N12 106.1(10) . . ?
N1 N2 H2 124.5 . . ?
C3 N2 N1 111.1(10) . . ?
C3 N2 H2 124.5 . . ?
N5 N6 H6 124.9 . . ?
C7 N6 N5 110.1(10) . . ?
C7 N6 H6 124.9 . . ?
N16 N15 Ru1 118.0(7) . . ?
N16 N15 C22 107.5(9) . . ?
C22 N15 Ru1 134.5(7) . . ?
N2 C3 H3 126.3 . . ?
C2 C3 N2 107.5(11) . . ?
C2 C3 H3 126.3 . . ?
C9 C8 H8 127.6 . . ?
C7 C8 H8 127.6 . . ?
C7 C8 C9 104.8(11) . . ?
C3 C2 H2A 127.3 . . ?
C3 C2 C1 105.3(11) . . ?
C1 C2 H2A 127.3 . . ?
C6 C5 H5 127.0 . . ?
C6 C5 C4 106.1(13) . . ?
C4 C5 H5 127.0 . . ?
N8 C12 H12 125.3 . . ?
C11 C12 H12 125.3 . . ?
C11 C12 N8 109.4(12) . . ?
N12 C18 H18 125.4 . . ?
C17 C18 H18 125.4 . . ?
C17 C18 N12 109.3(12) . . ?
C13 C14 H14 128.5 . . ?
C15 C14 H14 128.5 . . ?
C15 C14 C13 103.0(12) . . ?
N13 N14 Ru2 117.7(7) . . ?
N13 N14 C21 109.3(10) . . ?
C21 N14 Ru2 133.0(9) . . ?
N3 C6 H6A 125.7 . . ?
C5 C6 N3 108.5(13) . . ?
C5 C6 H6A 125.7 . . ?
N1 C1 C2 110.6(10) . . ?
N1 C1 H1 124.7 . . ?
C2 C1 H1 124.7 . . ?
N5 C9 C8 110.9(10) . . ?
N5 C9 H9 124.6 . . ?
C8 C9 H9 124.6 . . ?
C22 C23 H23 127.1 . . ?
C24 C23 H23 127.1 . . ?
C24 C23 C22 105.8(11) . . ?
N7 N8 C12 109.4(11) . . ?
N7 N8 H8A 125.3 . . ?
C12 N8 H8A 125.3 . . ?
N15 N16 Ru2 115.5(6) . . ?
C24 N16 Ru2 135.6(8) . . ?
C24 N16 N15 108.8(9) . . ?
C21 C20 H20 127.2 . . ?
C21 C20 C19 105.6(11) . . ?
C19 C20 H20 127.2 . . ?
N9 C13 C14 109.7(12) . . ?
N9 C13 H13 125.1 . . ?
C14 C13 H13 125.1 . . ?
C18 N12 N11 109.1(11) . . ?
N6 C7 H7 125.6 . . ?
C8 C7 N6 108.8(11) . . ?
C8 C7 H7 125.6 . . ?
C18 C17 H17 127.7 . . ?
C18 C17 C16 104.5(11) . . ?
C16 C17 H17 127.7 . . ?
N14 N13 Ru1 115.5(6) . . ?
N14 N13 C19 107.8(9) . . ?
C19 N13 Ru1 136.6(7) . . ?
N4 C4 C5 110.3(12) . . ?
N4 C4 H4 124.9 . . ?
C5 C4 H4 124.9 . . ?
N10 C15 C14 110.9(12) . . ?
N10 C15 H15 124.6 . . ?
C14 C15 H15 124.6 . . ?
C12 C11 H11 127.4 . . ?
C12 C11 C10 105.2(11) . . ?
C10 C11 H11 127.4 . . ?
N15 C22 C23 108.8(10) . . ?
N15 C22 H22 125.6 . . ?
C23 C22 H22 125.6 . . ?
N14 C21 C20 108.3(11) . . ?
N14 C21 H21 125.8 . . ?
C20 C21 H21 125.8 . . ?
C23 C24 H24 125.5 . . ?
N16 C24 C23 109.0(11) . . ?
N16 C24 H24 125.5 . . ?
N11 C16 C17 110.9(11) . . ?
N11 C16 H16 124.6 . . ?
C17 C16 H16 124.6 . . ?
N7 C10 C11 109.2(11) . . ?
N7 C10 H10A 125.4 . . ?
C11 C10 H10A 125.4 . . ?
C20 C19 H19 125.5 . . ?
N13 C19 C20 108.9(10) . . ?
N13 C19 H19 125.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru2 N9 C13 C14 175.8(8) . . . . ?
Ru2 N7 N8 C12 -179.9(8) . . . . ?
Ru2 N7 C10 C11 -177.7(8) . . . . ?
Ru2 N11 N12 C18 -177.8(9) . . . . ?
Ru2 N11 C16 C17 175.4(8) . . . . ?
Ru2 N14 N13 Ru1 -2.1(9) . . . . ?
Ru2 N14 N13 C19 -179.5(7) . . . . ?
Ru2 N14 C21 C20 178.8(8) . . . . ?
Ru2 N16 C24 C23 -178.2(8) . . . . ?
Ru1 N3 N4 C4 -179.8(7) . . . . ?
Ru1 N3 C6 C5 179.3(8) . . . . ?
Ru1 N5 N6 C7 -179.2(8) . . . . ?
Ru1 N5 C9 C8 178.0(8) . . . . ?
Ru1 N1 N2 C3 179.9(8) . . . . ?
Ru1 N1 C1 C2 -178.5(8) . . . . ?
Ru1 N15 N16 Ru2 2.5(9) . . . . ?
Ru1 N15 N16 C24 -175.7(7) . . . . ?
Ru1 N15 C22 C23 174.5(8) . . . . ?
Ru1 N13 C19 C20 -175.5(8) . . . . ?
N3 N4 C4 C5 -0.1(12) . . . . ?
N4 N3 C6 C5 -1.7(13) . . . . ?
N10 N9 C13 C14 1.5(13) . . . . ?
N9 N10 C15 C14 -0.1(13) . . . . ?
N5 Ru1 O1 Ru2 -133.9(4) . . . . ?
N5 N6 C7 C8 1.3(14) . . . . ?
N7 Ru2 O1 Ru1 -133.9(4) . . . . ?
N1 Ru1 O1 Ru2 134.8(4) . . . . ?
N1 N2 C3 C2 -2.1(14) . . . . ?
N11 Ru2 O1 Ru1 133.4(4) . . . . ?
N2 N1 C1 C2 0.0(15) . . . . ?
N2 C3 C2 C1 1.9(14) . . . . ?
N6 N5 C9 C8 -1.0(14) . . . . ?
N15 Ru1 O1 Ru2 -43.9(3) . . . . ?
N15 N16 C24 C23 -0.6(13) . . . . ?
C3 C2 C1 N1 -1.2(16) . . . . ?
C12 C11 C10 N7 -4.3(15) . . . . ?
C18 C17 C16 N11 2.2(15) . . . . ?
N14 Ru2 O1 Ru1 -43.7(4) . . . . ?
N14 N13 C19 C20 1.0(12) . . . . ?
C6 N3 N4 C4 1.1(12) . . . . ?
C6 C5 C4 N4 -0.9(14) . . . . ?
C1 N1 N2 C3 1.3(14) . . . . ?
C9 N5 N6 C7 -0.2(13) . . . . ?
C9 C8 C7 N6 -1.8(14) . . . . ?
N8 N7 C10 C11 3.0(13) . . . . ?
N8 C12 C11 C10 3.8(16) . . . . ?
N16 Ru2 O1 Ru1 44.6(4) . . . . ?
N16 N15 C22 C23 -2.5(12) . . . . ?
C13 C14 C15 N10 1.0(14) . . . . ?
N12 N11 C16 C17 -0.4(14) . . . . ?
N12 C18 C17 C16 -3.1(16) . . . . ?
C7 C8 C9 N5 1.7(15) . . . . ?
C17 C18 N12 N11 3.0(16) . . . . ?
N13 Ru1 O1 Ru2 43.4(4) . . . . ?
N13 N14 C21 C20 0.6(13) . . . . ?
C4 C5 C6 N3 1.6(13) . . . . ?
C15 N10 N9 Ru2 -176.1(7) . . . . ?
C15 N10 N9 C13 -0.9(12) . . . . ?
C15 C14 C13 N9 -1.6(14) . . . . ?
C11 C12 N8 N7 -2.1(16) . . . . ?
C22 N15 N16 Ru2 -179.9(7) . . . . ?
C22 N15 N16 C24 1.9(11) . . . . ?
C22 C23 C24 N16 -0.9(14) . . . . ?
C21 N14 N13 Ru1 176.4(7) . . . . ?
C21 N14 N13 C19 -1.0(11) . . . . ?
C21 C20 C19 N13 -0.6(14) . . . . ?
C24 C23 C22 N15 2.1(14) . . . . ?
C16 N11 N12 C18 -1.6(14) . . . . ?
C10 N7 N8 C12 -0.6(14) . . . . ?
C19 C20 C21 N14 0.0(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.342 594.9 524.3 ?
2 0.016 0.250 0.022 18.9 18.7 ?
3 -0.016 0.250 0.522 18.9 18.7 ?
4 0.000 0.500 -0.215 594.9 524.3 ?
5 -0.016 0.750 0.022 18.9 18.6 ?
6 0.016 0.750 0.522 18.9 18.6 ?
7 0.250 -0.016 0.272 18.9 18.8 ?
8 0.250 0.016 0.772 18.9 18.5 ?
9 0.250 0.484 0.272 18.9 18.8 ?
10 0.250 0.516 0.772 18.9 18.5 ?
11 0.500 0.000 -0.288 594.9 524.3 ?
12 0.500 0.500 -0.223 594.9 524.3 ?
13 0.484 0.250 0.522 18.9 18.6 ?
14 0.484 0.750 0.022 18.9 18.7 ?
15 0.516 0.250 0.022 18.9 18.6 ?
16 0.516 0.750 0.522 18.9 18.7 ?
17 0.750 0.016 0.272 18.9 18.5 ?
18 0.750 -0.016 0.772 18.9 18.8 ?
19 0.750 0.484 0.772 18.9 18.8 ?
20 0.750 0.516 0.272 18.9 18.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.289
_oxdiff_exptl_absorpt_empirical_full_min 0.794
