# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_aanp3a
_database_code_depnum_ccdc_archive 'CCDC 2262242'
_audit_update_record             
;
2023-05-10 deposited with the CCDC.	2023-10-12 downloaded from the CCDC.
;
_audit_creation_date             2023-05-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H39 Cl3 N2 O2 Ru2, C H2 Cl2'
_chemical_formula_sum            'C39 H41 Cl5 N2 O2 Ru2'
_chemical_formula_weight         949.13
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C39 H41 Cl5 N2 O2 Ru2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2299(3)
_cell_length_b                   23.8454(14)
_cell_length_c                   17.9871(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.269(3)
_cell_angle_gamma                90
_cell_volume                     3952.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7196
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.8610
_cell_measurement_theta_min      4.0100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.138
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0589
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20949
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.407
_diffrn_reflns_theta_min         3.367
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4015
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00 -10.00   1.00   38.40    --  -10.68 -57.00-180.00   72
  2  ω    -15.00  61.00   1.00   38.40    --  -10.68  38.00 120.00   76
  3  ω    -10.00  39.00   1.00   38.40    --   10.68  77.00   0.00   49
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0183359000
_diffrn_orient_matrix_UB_12      -0.0229983000
_diffrn_orient_matrix_UB_13      -0.0237333000
_diffrn_orient_matrix_UB_21      0.0520088000
_diffrn_orient_matrix_UB_22      0.0089875000
_diffrn_orient_matrix_UB_23      -0.0249826000
_diffrn_orient_matrix_UB_31      0.0537198000
_diffrn_orient_matrix_UB_32      -0.0165535000
_diffrn_orient_matrix_UB_33      0.0193463000
_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                5837
_reflns_number_total             9263
_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 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.855
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         9263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0611
_refine_ls_restrained_S_all      1.060
_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)+(0.0378P)²+11.9531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1433
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=1-FVAR(1)
 Sof(C28A)=Sof(H28D)=Sof(H28E)=Sof(H28F)=FVAR(1)
2.a Ternary CH refined with riding coordinates:
 C26(H26), C36(H36)
2.b Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C14(H14), C15(H15),
 C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C30(H30), C31(H31),
  C33(H33), C34(H34)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C35(H35A,H35B,H35C), C37(H37A,H37B,
 H37C), C38(H38A,H38B,H38C), C28(H28A,H28B,H28C), C28A(H28D,H28E,H28F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.56222(4) 0.63679(2) 0.28345(2) 0.03683(13) Uani 1 1 d . . . . .
Ru2 Ru 1.02115(4) 0.63811(2) 0.15568(2) 0.04473(15) Uani 1 1 d . . . . .
Cl1 Cl 0.54381(16) 0.54072(7) 0.24170(10) 0.0601(4) Uani 1 1 d . . . . .
Cl2 Cl 1.04181(17) 0.73270(8) 0.20353(10) 0.0667(5) Uani 1 1 d . . . . .
Cl3 Cl 0.9088(3) 0.55660(12) 0.61761(11) 0.1119(9) Uani 1 1 d . . . . .
O1 O 0.5590(3) 0.65638(18) 0.17188(19) 0.0467(10) Uani 1 1 d . . . . .
O2 O 1.0247(3) 0.61599(18) 0.2663(2) 0.0479(10) Uani 1 1 d . . . . .
N1 N 0.8034(4) 0.6438(2) 0.1816(2) 0.0405(11) Uani 1 1 d . . . . .
N2 N 0.7794(4) 0.6310(2) 0.2574(2) 0.0364(10) Uani 1 1 d . . . . .
C1 C 0.6842(5) 0.6575(3) 0.1441(3) 0.0417(13) Uani 1 1 d . . . . .
C2 C 0.6847(5) 0.6790(3) 0.0664(3) 0.0449(14) Uani 1 1 d . . . . .
C3 C 0.7509(6) 0.7299(3) 0.0531(4) 0.0561(17) Uani 1 1 d . . . . .
H3 H 0.799540 0.748807 0.092198 0.067 Uiso 1 1 calc R U . . .
C4 C 0.7455(7) 0.7531(3) -0.0185(4) 0.0634(19) Uani 1 1 d . . . . .
H4 H 0.791361 0.787109 -0.026426 0.076 Uiso 1 1 calc R U . . .
C5 C 0.6753(7) 0.7269(3) -0.0755(4) 0.0650(19) Uani 1 1 d . . . . .
H5 H 0.672098 0.743215 -0.122515 0.078 Uiso 1 1 calc R U . . .
C6 C 0.6048(6) 0.6742(3) -0.0654(3) 0.0551(17) Uani 1 1 d . . . . .
C7 C 0.5301(8) 0.6468(4) -0.1250(4) 0.077(2) Uani 1 1 d . . . . .
H7 H 0.526392 0.662737 -0.172244 0.092 Uiso 1 1 calc R U . . .
C8 C 0.4631(10) 0.5969(4) -0.1139(4) 0.090(3) Uani 1 1 d . . . . .
H8 H 0.414030 0.578848 -0.153661 0.108 Uiso 1 1 calc R U . . .
C9 C 0.4674(8) 0.5724(3) -0.0428(4) 0.076(2) Uani 1 1 d . . . . .
H9 H 0.420668 0.538410 -0.035818 0.091 Uiso 1 1 calc R U . . .
C10 C 0.5400(6) 0.5983(3) 0.0164(4) 0.0570(16) Uani 1 1 d . . . . .
H10 H 0.543802 0.581354 0.063094 0.068 Uiso 1 1 calc R U . . .
C11 C 0.6089(5) 0.6503(3) 0.0070(3) 0.0451(14) Uani 1 1 d . . . . .
C12 C 0.8996(5) 0.6175(2) 0.2945(3) 0.0388(12) Uani 1 1 d . . . . .
C13 C 0.8976(5) 0.6018(3) 0.3748(3) 0.0423(13) Uani 1 1 d . . . . .
C14 C 0.8366(6) 0.5525(3) 0.3976(4) 0.0540(16) Uani 1 1 d . . . . .
H14 H 0.791847 0.528510 0.362547 0.065 Uiso 1 1 calc R U . . .
C15 C 0.8413(8) 0.5383(3) 0.4721(4) 0.0676(19) Uani 1 1 d . . . . .
H15 H 0.801827 0.504613 0.487346 0.081 Uiso 1 1 calc R U . . .
C16 C 0.9043(8) 0.5743(4) 0.5229(4) 0.071(2) Uani 1 1 d . . . . .
C17 C 0.9670(8) 0.6226(4) 0.5020(4) 0.074(2) Uani 1 1 d . . . . .
H17 H 1.010581 0.646536 0.537446 0.089 Uiso 1 1 calc R U . . .
C18 C 0.9656(7) 0.6360(3) 0.4273(4) 0.0608(18) Uani 1 1 d . . . . .
H18 H 1.011308 0.668529 0.412349 0.073 Uiso 1 1 calc R U . . .
C19 C 0.4460(6) 0.6173(3) 0.3849(3) 0.0538(16) Uani 1 1 d . . . . .
C20 C 0.3476(6) 0.6408(3) 0.3299(4) 0.0573(18) Uani 1 1 d . . . . .
H20 H 0.261705 0.622195 0.316126 0.069 Uiso 1 1 calc R U . . .
C21 C 0.3794(6) 0.6917(3) 0.2965(4) 0.0558(17) Uani 1 1 d . . . . .
H21 H 0.313666 0.706567 0.260700 0.067 Uiso 1 1 calc R U . . .
C22 C 0.5102(7) 0.7217(3) 0.3159(4) 0.0586(17) Uani 1 1 d . . . . .
C23 C 0.6051(6) 0.6968(3) 0.3696(3) 0.0494(15) Uani 1 1 d . . . . .
H23 H 0.692605 0.714601 0.382570 0.059 Uiso 1 1 calc R U . . .
C24 C 0.5734(6) 0.6463(3) 0.4043(3) 0.0538(17) Uani 1 1 d . . . . .
H24 H 0.638255 0.631900 0.440932 0.065 Uiso 1 1 calc R U . . .
C25 C 0.4171(10) 0.5602(4) 0.4182(5) 0.098(3) Uani 1 1 d . . . . .
H25A H 0.370544 0.536551 0.380834 0.147 Uiso 1 1 calc R U . . .
H25B H 0.355066 0.564445 0.458904 0.147 Uiso 1 1 calc R U . . .
H25C H 0.507219 0.543572 0.435890 0.147 Uiso 1 1 calc R U . . .
C26 C 0.5421(11) 0.7763(4) 0.2779(7) 0.109(3) Uani 1 1 d . . . . .
H26 H 0.512970 0.770164 0.225293 0.131 Uiso 1 1 calc R U . A 2
C27 C 0.6899(14) 0.7923(6) 0.2785(9) 0.180(7) Uani 1 1 d . . . . .
H27A H 0.702464 0.819637 0.240198 0.269 Uiso 1 1 calc R U . . .
H27B H 0.748417 0.759969 0.269559 0.269 Uiso 1 1 calc R U . . .
H27C H 0.719055 0.808140 0.326074 0.269 Uiso 1 1 calc R U . . .
C29 C 1.1371(7) 0.6600(4) 0.0548(4) 0.077(2) Uani 1 1 d . . . . .
C30 C 1.0102(7) 0.6302(5) 0.0348(4) 0.085(3) Uani 1 1 d . . . . .
H30 H 0.944674 0.644500 -0.001578 0.102 Uiso 1 1 calc R U . . .
C31 C 0.9803(7) 0.5778(4) 0.0697(4) 0.081(3) Uani 1 1 d . . . . .
H31 H 0.893677 0.559271 0.057234 0.098 Uiso 1 1 calc R U . . .
C32 C 1.0802(8) 0.5542(4) 0.1226(4) 0.070(2) Uani 1 1 d . . . . .
C33 C 1.2092(6) 0.5854(4) 0.1402(4) 0.068(2) Uani 1 1 d . . . . .
H33 H 1.278620 0.570705 0.174229 0.082 Uiso 1 1 calc R U . . .
C34 C 1.2341(6) 0.6362(4) 0.1087(4) 0.067(2) Uani 1 1 d . . . . .
H34 H 1.318143 0.655708 0.123411 0.081 Uiso 1 1 calc R U . . .
C35 C 1.1643(11) 0.7166(5) 0.0227(6) 0.124(4) Uani 1 1 d . . . . .
H35A H 1.074022 0.732644 0.003958 0.186 Uiso 1 1 calc R U . . .
H35B H 1.228452 0.713035 -0.017235 0.186 Uiso 1 1 calc R U . . .
H35C H 1.207879 0.740488 0.060651 0.186 Uiso 1 1 calc R U . . .
C36 C 1.0600(10) 0.4999(4) 0.1673(6) 0.106(3) Uani 1 1 d . . . . .
H36 H 1.082992 0.509077 0.219784 0.127 Uiso 1 1 calc R U . . .
C37 C 1.1714(13) 0.4565(5) 0.1453(8) 0.167(6) Uani 1 1 d . . . . .
H37A H 1.151833 0.445986 0.094242 0.251 Uiso 1 1 calc R U . . .
H37B H 1.165345 0.424044 0.176503 0.251 Uiso 1 1 calc R U . . .
H37C H 1.267001 0.472325 0.151424 0.251 Uiso 1 1 calc R U . . .
C38 C 0.9084(11) 0.4802(5) 0.1617(8) 0.157(5) Uani 1 1 d . . . . .
H38A H 0.846302 0.508798 0.179922 0.235 Uiso 1 1 calc R U . . .
H38B H 0.899939 0.446823 0.191021 0.235 Uiso 1 1 calc R U . . .
H38C H 0.880188 0.472159 0.110659 0.235 Uiso 1 1 calc R U . . .
C28 C 0.456(2) 0.7945(10) 0.2172(16) 0.121(14) Uani 0.43(2) 1 d . . P B 1
H28A H 0.470510 0.770431 0.175392 0.181 Uiso 0.43(2) 1 calc R U P B 1
H28B H 0.482338 0.832189 0.204999 0.181 Uiso 0.43(2) 1 calc R U P B 1
H28C H 0.356077 0.793363 0.228921 0.181 Uiso 0.43(2) 1 calc R U P B 1
C28A C 0.459(4) 0.8218(8) 0.2994(17) 0.23(2) Uani 0.57(2) 1 d . . P B 2
H28D H 0.501220 0.837359 0.344857 0.350 Uiso 0.57(2) 1 calc R U P B 2
H28E H 0.361962 0.809519 0.306956 0.350 Uiso 0.57(2) 1 calc R U P B 2
H28F H 0.456841 0.849904 0.261080 0.350 Uiso 0.57(2) 1 calc R U P B 2
Cl4 Cl 0.5695(8) 0.6210(3) 0.6018(4) 0.309(4) Uani 1 1 d . . . . .
Cl5 Cl 0.2894(5) 0.6011(2) 0.6299(4) 0.262(3) Uani 1 1 d . . . . .
C39 C 0.4614(17) 0.6100(8) 0.6693(6) 0.190(7) Uani 1 1 d . . . . .
H39A H 0.464120 0.641715 0.703085 0.227 Uiso 1 1 calc R U . . .
H39B H 0.491632 0.576756 0.697170 0.227 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 Cl1 2.4135(17) . ?
Ru1 O1 2.059(4) . ?
Ru1 N2 2.089(4) . ?
Ru1 C19 2.218(6) . ?
Ru1 C20 2.196(5) . ?
Ru1 C21 2.159(6) . ?
Ru1 C22 2.169(7) . ?
Ru1 C23 2.130(6) . ?
Ru1 C24 2.183(6) . ?
Ru2 Cl2 2.418(2) . ?
Ru2 O2 2.056(4) . ?
Ru2 N1 2.093(4) . ?
Ru2 C29 2.221(7) . ?
Ru2 C30 2.180(6) . ?
Ru2 C31 2.129(8) . ?
Ru2 C32 2.167(8) . ?
Ru2 C33 2.173(6) . ?
Ru2 C34 2.184(5) . ?
Cl3 C16 1.753(7) . ?
O1 C1 1.285(6) . ?
O2 C12 1.289(6) . ?
N1 N2 1.428(6) . ?
N1 C1 1.299(6) . ?
N2 C12 1.301(6) . ?
C1 C2 1.489(7) . ?
C2 C3 1.385(9) . ?
C2 C11 1.419(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.337(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.431(10) . ?
C6 C7 1.402(9) . ?
C6 C11 1.421(8) . ?
C7 H7 0.9300 . ?
C7 C8 1.362(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.403(11) . ?
C9 H9 0.9300 . ?
C9 C10 1.373(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.409(9) . ?
C12 C13 1.493(7) . ?
C13 C14 1.377(8) . ?
C13 C18 1.372(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.359(10) . ?
C16 C17 1.353(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.380(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.419(9) . ?
C19 C24 1.392(9) . ?
C19 C25 1.517(10) . ?
C20 H20 0.9300 . ?
C20 C21 1.392(9) . ?
C21 H21 0.9300 . ?
C21 C22 1.429(9) . ?
C22 C23 1.398(9) . ?
C22 C26 1.507(11) . ?
C23 H23 0.9300 . ?
C23 C24 1.395(9) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26 0.9800 . ?
C26 C27 1.416(14) . ?
C26 C28 1.38(2) . ?
C26 C28A 1.396(19) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C29 C30 1.400(11) . ?
C29 C34 1.402(10) . ?
C29 C35 1.494(12) . ?
C30 H30 0.9300 . ?
C30 C31 1.431(12) . ?
C31 H31 0.9300 . ?
C31 C32 1.406(11) . ?
C32 C33 1.424(10) . ?
C32 C36 1.540(13) . ?
C33 H33 0.9300 . ?
C33 C34 1.362(10) . ?
C34 H34 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36 0.9800 . ?
C36 C37 1.526(13) . ?
C36 C38 1.474(13) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28A H28D 0.9600 . ?
C28A H28E 0.9600 . ?
C28A H28F 0.9600 . ?
Cl4 C39 1.635(14) . ?
Cl5 C39 1.714(14) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ru1 Cl1 85.15(13) . . ?
O1 Ru1 N2 75.97(14) . . ?
O1 Ru1 C19 150.29(19) . . ?
O1 Ru1 C20 113.4(2) . . ?
O1 Ru1 C21 90.0(2) . . ?
O1 Ru1 C22 93.4(2) . . ?
O1 Ru1 C23 123.2(2) . . ?
O1 Ru1 C24 160.8(2) . . ?
N2 Ru1 Cl1 85.33(13) . . ?
N2 Ru1 C19 133.3(2) . . ?
N2 Ru1 C20 170.5(2) . . ?
N2 Ru1 C21 146.2(2) . . ?
N2 Ru1 C22 110.6(2) . . ?
N2 Ru1 C23 93.82(19) . . ?
N2 Ru1 C24 103.79(18) . . ?
C19 Ru1 Cl1 91.64(18) . . ?
C20 Ru1 Cl1 96.37(19) . . ?
C20 Ru1 C19 37.5(2) . . ?
C21 Ru1 Cl1 124.60(19) . . ?
C21 Ru1 C19 67.6(3) . . ?
C21 Ru1 C20 37.3(2) . . ?
C21 Ru1 C22 38.6(2) . . ?
C21 Ru1 C24 79.7(2) . . ?
C22 Ru1 Cl1 163.16(18) . . ?
C22 Ru1 C19 81.3(3) . . ?
C22 Ru1 C20 68.8(3) . . ?
C22 Ru1 C24 68.5(3) . . ?
C23 Ru1 Cl1 150.60(18) . . ?
C23 Ru1 C19 67.7(2) . . ?
C23 Ru1 C20 80.1(2) . . ?
C23 Ru1 C21 68.1(2) . . ?
C23 Ru1 C22 38.0(2) . . ?
C23 Ru1 C24 37.7(2) . . ?
C24 Ru1 Cl1 114.0(2) . . ?
C24 Ru1 C19 36.9(2) . . ?
C24 Ru1 C20 67.0(2) . . ?
O2 Ru2 Cl2 84.17(13) . . ?
O2 Ru2 N1 76.34(15) . . ?
O2 Ru2 C29 150.3(2) . . ?
O2 Ru2 C30 160.1(3) . . ?
O2 Ru2 C31 121.5(3) . . ?
O2 Ru2 C32 92.2(2) . . ?
O2 Ru2 C33 90.4(2) . . ?
O2 Ru2 C34 113.8(2) . . ?
N1 Ru2 Cl2 85.25(14) . . ?
N1 Ru2 C29 132.8(2) . . ?
N1 Ru2 C30 103.7(2) . . ?
N1 Ru2 C31 94.2(2) . . ?
N1 Ru2 C32 112.4(2) . . ?
N1 Ru2 C33 148.2(3) . . ?
N1 Ru2 C34 169.8(2) . . ?
C29 Ru2 Cl2 92.3(3) . . ?
C30 Ru2 Cl2 115.7(3) . . ?
C30 Ru2 C29 37.1(3) . . ?
C30 Ru2 C34 66.6(2) . . ?
C31 Ru2 Cl2 153.6(3) . . ?
C31 Ru2 C29 68.8(3) . . ?
C31 Ru2 C30 38.8(3) . . ?
C31 Ru2 C32 38.2(3) . . ?
C31 Ru2 C33 68.1(3) . . ?
C31 Ru2 C34 80.3(3) . . ?
C32 Ru2 Cl2 160.6(2) . . ?
C32 Ru2 C29 81.5(3) . . ?
C32 Ru2 C30 69.2(3) . . ?
C32 Ru2 C33 38.3(3) . . ?
C32 Ru2 C34 68.2(3) . . ?
C33 Ru2 Cl2 122.5(2) . . ?
C33 Ru2 C29 66.8(3) . . ?
C33 Ru2 C30 79.3(3) . . ?
C33 Ru2 C34 36.4(3) . . ?
C34 Ru2 Cl2 95.9(2) . . ?
C34 Ru2 C29 37.1(3) . . ?
C1 O1 Ru1 114.9(3) . . ?
C12 O2 Ru2 114.2(3) . . ?
N2 N1 Ru2 113.7(3) . . ?
C1 N1 Ru2 134.1(4) . . ?
C1 N1 N2 112.2(4) . . ?
N1 N2 Ru1 113.8(3) . . ?
C12 N2 Ru1 134.6(4) . . ?
C12 N2 N1 111.6(4) . . ?
O1 C1 N1 123.1(5) . . ?
O1 C1 C2 115.0(4) . . ?
N1 C1 C2 121.7(4) . . ?
C3 C2 C1 119.2(5) . . ?
C3 C2 C11 119.7(5) . . ?
C11 C2 C1 120.9(5) . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(6) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(7) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.1(6) . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 121.3(6) . . ?
C7 C6 C11 120.0(7) . . ?
C11 C6 C5 118.7(6) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(7) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.5(7) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(7) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(6) . . ?
C11 C10 H10 119.8 . . ?
C2 C11 C6 118.9(6) . . ?
C10 C11 C2 122.7(5) . . ?
C10 C11 C6 118.4(6) . . ?
O2 C12 N2 124.2(5) . . ?
O2 C12 C13 115.8(4) . . ?
N2 C12 C13 120.0(4) . . ?
C14 C13 C12 122.0(5) . . ?
C18 C13 C12 119.1(5) . . ?
C18 C13 C14 118.8(6) . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.5(6) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 120.4 . . ?
C16 C15 C14 119.1(7) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 Cl3 119.1(6) . . ?
C17 C16 Cl3 119.2(6) . . ?
C17 C16 C15 121.6(7) . . ?
C16 C17 H17 120.4 . . ?
C16 C17 C18 119.2(7) . . ?
C18 C17 H17 120.4 . . ?
C13 C18 C17 120.7(7) . . ?
C13 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C20 C19 Ru1 70.4(3) . . ?
C20 C19 C25 120.6(7) . . ?
C24 C19 Ru1 70.2(3) . . ?
C24 C19 C20 118.5(6) . . ?
C24 C19 C25 120.8(7) . . ?
C25 C19 Ru1 128.1(5) . . ?
Ru1 C20 H20 130.7 . . ?
C19 C20 Ru1 72.1(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 Ru1 70.0(3) . . ?
C21 C20 C19 120.1(6) . . ?
C21 C20 H20 119.9 . . ?
Ru1 C21 H21 129.7 . . ?
C20 C21 Ru1 72.8(3) . . ?
C20 C21 H21 119.1 . . ?
C20 C21 C22 121.8(6) . . ?
C22 C21 Ru1 71.1(3) . . ?
C22 C21 H21 119.1 . . ?
C21 C22 Ru1 70.4(4) . . ?
C21 C22 C26 120.5(7) . . ?
C23 C22 Ru1 69.5(4) . . ?
C23 C22 C21 116.3(6) . . ?
C23 C22 C26 123.3(7) . . ?
C26 C22 Ru1 129.3(6) . . ?
Ru1 C23 H23 127.7 . . ?
C22 C23 Ru1 72.5(4) . . ?
C22 C23 H23 118.8 . . ?
C24 C23 Ru1 73.2(4) . . ?
C24 C23 C22 122.5(6) . . ?
C24 C23 H23 118.8 . . ?
Ru1 C24 H24 131.2 . . ?
C19 C24 Ru1 72.9(3) . . ?
C19 C24 C23 120.8(6) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 Ru1 69.1(3) . . ?
C23 C24 H24 119.6 . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26 105.0 . . ?
C27 C26 C22 116.3(9) . . ?
C27 C26 H26 105.0 . . ?
C28 C26 C22 120.7(13) . . ?
C28 C26 C27 115.5(14) . . ?
C28A C26 C22 115.0(11) . . ?
C28A C26 H26 105.0 . . ?
C28A C26 C27 109.4(18) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C29 Ru2 69.8(4) . . ?
C30 C29 C34 117.6(8) . . ?
C30 C29 C35 121.1(8) . . ?
C34 C29 Ru2 70.0(4) . . ?
C34 C29 C35 121.2(8) . . ?
C35 C29 Ru2 128.9(6) . . ?
Ru2 C30 H30 131.4 . . ?
C29 C30 Ru2 73.1(4) . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.7(7) . . ?
C31 C30 Ru2 68.7(4) . . ?
C31 C30 H30 119.7 . . ?
Ru2 C31 H31 127.6 . . ?
C30 C31 Ru2 72.5(5) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 Ru2 72.4(4) . . ?
C32 C31 C30 120.8(7) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 Ru2 69.5(5) . . ?
C31 C32 C33 116.6(8) . . ?
C31 C32 C36 126.6(8) . . ?
C33 C32 Ru2 71.1(4) . . ?
C33 C32 C36 116.7(7) . . ?
C36 C32 Ru2 126.4(5) . . ?
Ru2 C33 H33 131.2 . . ?
C32 C33 Ru2 70.6(4) . . ?
C32 C33 H33 118.9 . . ?
C34 C33 Ru2 72.2(4) . . ?
C34 C33 C32 122.1(6) . . ?
C34 C33 H33 118.9 . . ?
Ru2 C34 H34 129.3 . . ?
C29 C34 Ru2 72.9(4) . . ?
C29 C34 H34 118.9 . . ?
C33 C34 Ru2 71.4(3) . . ?
C33 C34 C29 122.1(7) . . ?
C33 C34 H34 118.9 . . ?
C29 C35 H35A 109.5 . . ?
C29 C35 H35B 109.5 . . ?
C29 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32 C36 H36 106.8 . . ?
C37 C36 C32 109.3(9) . . ?
C37 C36 H36 106.8 . . ?
C38 C36 C32 112.0(9) . . ?
C38 C36 H36 106.8 . . ?
C38 C36 C37 114.7(10) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C28A H28D 109.5 . . ?
C26 C28A H28E 109.5 . . ?
C26 C28A H28F 109.5 . . ?
H28D C28A H28E 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
Cl4 C39 Cl5 107.6(8) . . ?
Cl4 C39 H39A 110.2 . . ?
Cl4 C39 H39B 110.2 . . ?
Cl5 C39 H39A 110.2 . . ?
Cl5 C39 H39B 110.2 . . ?
H39A C39 H39B 108.5 . . ?

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 O1 C1 N1 4.3(8) . . . . ?
Ru1 O1 C1 C2 -172.2(4) . . . . ?
Ru1 N2 C12 O2 179.1(4) . . . . ?
Ru1 N2 C12 C13 -0.3(9) . . . . ?
Ru1 C19 C20 C21 -52.8(5) . . . . ?
Ru1 C19 C24 C23 51.8(5) . . . . ?
Ru1 C20 C21 C22 -53.7(5) . . . . ?
Ru1 C21 C22 C23 -53.8(5) . . . . ?
Ru1 C21 C22 C26 124.7(7) . . . . ?
Ru1 C22 C23 C24 -56.0(5) . . . . ?
Ru1 C22 C26 C27 -68.5(14) . . . . ?
Ru1 C22 C26 C28 79.8(19) . . . . ?
Ru1 C22 C26 C28A 162(2) . . . . ?
Ru1 C23 C24 C19 -53.6(5) . . . . ?
Ru2 O2 C12 N2 0.8(7) . . . . ?
Ru2 O2 C12 C13 -179.8(4) . . . . ?
Ru2 N1 N2 Ru1 179.9(2) . . . . ?
Ru2 N1 N2 C12 -0.9(6) . . . . ?
Ru2 N1 C1 O1 177.9(4) . . . . ?
Ru2 N1 C1 C2 -5.8(9) . . . . ?
Ru2 C29 C30 C31 -51.5(6) . . . . ?
Ru2 C29 C34 C33 54.0(6) . . . . ?
Ru2 C30 C31 C32 -56.1(6) . . . . ?
Ru2 C31 C32 C33 -54.9(6) . . . . ?
Ru2 C31 C32 C36 120.7(8) . . . . ?
Ru2 C32 C33 C34 -52.9(6) . . . . ?
Ru2 C32 C36 C37 -154.3(7) . . . . ?
Ru2 C32 C36 C38 77.5(11) . . . . ?
Ru2 C33 C34 C29 -54.7(6) . . . . ?
Cl3 C16 C17 C18 178.9(6) . . . . ?
O1 C1 C2 C3 111.8(6) . . . . ?
O1 C1 C2 C11 -63.2(7) . . . . ?
O2 C12 C13 C14 -109.5(6) . . . . ?
O2 C12 C13 C18 66.8(7) . . . . ?
N1 N2 C12 O2 0.1(8) . . . . ?
N1 N2 C12 C13 -179.3(5) . . . . ?
N1 C1 C2 C3 -64.8(8) . . . . ?
N1 C1 C2 C11 120.2(6) . . . . ?
N2 N1 C1 O1 -3.5(8) . . . . ?
N2 N1 C1 C2 172.8(5) . . . . ?
N2 C12 C13 C14 69.9(8) . . . . ?
N2 C12 C13 C18 -113.8(6) . . . . ?
C1 N1 N2 Ru1 1.0(6) . . . . ?
C1 N1 N2 C12 -179.8(5) . . . . ?
C1 C2 C3 C4 -175.9(5) . . . . ?
C1 C2 C11 C6 176.1(5) . . . . ?
C1 C2 C11 C10 -5.5(8) . . . . ?
C2 C3 C4 C5 0.6(10) . . . . ?
C3 C2 C11 C6 1.1(8) . . . . ?
C3 C2 C11 C10 179.5(6) . . . . ?
C3 C4 C5 C6 -0.6(10) . . . . ?
C4 C5 C6 C7 179.6(7) . . . . ?
C4 C5 C6 C11 0.9(9) . . . . ?
C5 C6 C7 C8 -179.5(7) . . . . ?
C5 C6 C11 C2 -1.1(8) . . . . ?
C5 C6 C11 C10 -179.6(5) . . . . ?
C6 C7 C8 C9 0.2(13) . . . . ?
C7 C6 C11 C2 -179.8(6) . . . . ?
C7 C6 C11 C10 1.7(9) . . . . ?
C7 C8 C9 C10 -0.4(13) . . . . ?
C8 C9 C10 C11 1.2(11) . . . . ?
C9 C10 C11 C2 179.7(6) . . . . ?
C9 C10 C11 C6 -1.9(9) . . . . ?
C11 C2 C3 C4 -0.8(9) . . . . ?
C11 C6 C7 C8 -0.9(11) . . . . ?
C12 C13 C14 C15 177.6(6) . . . . ?
C12 C13 C18 C17 -179.5(6) . . . . ?
C13 C14 C15 C16 1.4(10) . . . . ?
C14 C13 C18 C17 -3.1(10) . . . . ?
C14 C15 C16 Cl3 179.4(5) . . . . ?
C14 C15 C16 C17 -2.4(12) . . . . ?
C15 C16 C17 C18 0.7(12) . . . . ?
C16 C17 C18 C13 2.1(11) . . . . ?
C18 C13 C14 C15 1.3(9) . . . . ?
C19 C20 C21 Ru1 53.8(5) . . . . ?
C19 C20 C21 C22 0.1(9) . . . . ?
C20 C19 C24 Ru1 -53.1(5) . . . . ?
C20 C19 C24 C23 -1.2(9) . . . . ?
C20 C21 C22 Ru1 54.4(5) . . . . ?
C20 C21 C22 C23 0.6(9) . . . . ?
C20 C21 C22 C26 179.2(7) . . . . ?
C21 C22 C23 Ru1 54.2(5) . . . . ?
C21 C22 C23 C24 -1.8(9) . . . . ?
C21 C22 C26 C27 -157.2(11) . . . . ?
C21 C22 C26 C28 -9(2) . . . . ?
C21 C22 C26 C28A 73(2) . . . . ?
C22 C23 C24 Ru1 55.7(5) . . . . ?
C22 C23 C24 C19 2.1(9) . . . . ?
C23 C22 C26 C27 21.3(15) . . . . ?
C23 C22 C26 C28 169.6(18) . . . . ?
C23 C22 C26 C28A -108(2) . . . . ?
C24 C19 C20 Ru1 53.0(5) . . . . ?
C24 C19 C20 C21 0.1(8) . . . . ?
C25 C19 C20 Ru1 -123.4(6) . . . . ?
C25 C19 C20 C21 -176.2(6) . . . . ?
C25 C19 C24 Ru1 123.3(6) . . . . ?
C25 C19 C24 C23 175.1(6) . . . . ?
C26 C22 C23 Ru1 -124.3(8) . . . . ?
C26 C22 C23 C24 179.7(7) . . . . ?
C29 C30 C31 Ru2 53.5(7) . . . . ?
C29 C30 C31 C32 -2.6(11) . . . . ?
C30 C29 C34 Ru2 -52.8(6) . . . . ?
C30 C29 C34 C33 1.2(11) . . . . ?
C30 C31 C32 Ru2 56.2(6) . . . . ?
C30 C31 C32 C33 1.3(10) . . . . ?
C30 C31 C32 C36 176.9(7) . . . . ?
C31 C32 C33 Ru2 54.1(6) . . . . ?
C31 C32 C33 C34 1.2(10) . . . . ?
C31 C32 C36 C37 115.4(10) . . . . ?
C31 C32 C36 C38 -12.8(13) . . . . ?
C32 C33 C34 Ru2 52.1(6) . . . . ?
C32 C33 C34 C29 -2.5(11) . . . . ?
C33 C32 C36 C37 -69.0(11) . . . . ?
C33 C32 C36 C38 162.8(9) . . . . ?
C34 C29 C30 Ru2 52.9(6) . . . . ?
C34 C29 C30 C31 1.3(11) . . . . ?
C35 C29 C30 Ru2 -124.0(8) . . . . ?
C35 C29 C30 C31 -175.6(7) . . . . ?
C35 C29 C34 Ru2 124.1(8) . . . . ?
C35 C29 C34 C33 178.1(7) . . . . ?
C36 C32 C33 Ru2 -122.0(6) . . . . ?
C36 C32 C33 C34 -174.8(7) . . . . ?

_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 1.321
_oxdiff_exptl_absorpt_empirical_full_min 0.833
####################################################################### 
# 
# 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_aan1
_database_code_depnum_ccdc_archive 'CCDC 2262243'
_audit_update_record             
;
2023-05-10 deposited with the CCDC.	2023-10-12 downloaded from the CCDC.
;
_audit_creation_date             2023-05-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_chemical_formula_moiety         'C30 H24 Cl2 N2 O2 Ru2'
_chemical_formula_sum            'C30 H24 Cl2 N2 O2 Ru2'
_chemical_formula_weight         717.572
_chemical_absolute_configuration unk
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55740 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Ru -1.23940 0.83517 19.26740 12.91820 4.86337 1.56756 0.80852 8.43467 24.79970
94.29280 5.37874 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P 1 n 1'
_space_group_name_Hall           ' P -2yac'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y,z+1/2

_symmetry_Int_Tables_number      7
_cell_length_a                   10.1560(7)
_cell_length_b                   12.8167(7)
_cell_length_c                   11.2086(6)
_cell_angle_alpha                90
_cell_angle_beta                 110.167(7)
_cell_angle_gamma                90
_cell_volume                     1369.55(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2678
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6330
_cell_measurement_theta_min      3.7370
_exptl_absorpt_coefficient_mu    1.329
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_description       plate
_exptl_crystal_F_000             707.952
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.03
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0513
_diffrn_reflns_Laue_measured_fraction_full 0.9976
_diffrn_reflns_Laue_measured_fraction_max 0.8606
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7204
_diffrn_reflns_point_group_measured_fraction_full 0.7517
_diffrn_reflns_point_group_measured_fraction_max 0.6039
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         29.41
_diffrn_reflns_theta_min         3.34
_diffrn_detector_area_resol_mean 10.4015
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.9976
_diffrn_measured_fraction_theta_max 0.8606
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  35.00   1.00   14.65    --   10.68 -99.00  90.00   34
  2  ω      9.00  76.00   1.00   14.65    --   10.68  57.00 -30.00   67
  3  ω    -90.00   8.00   1.00   14.65    --  -10.84 -19.00-180.00   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.346
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              17
_reflns_limit_k_min              -16
_reflns_limit_l_max              11
_reflns_limit_l_min              -15
_reflns_number_gt                3461
_reflns_number_total             4572
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.6946
_refine_diff_density_min         -0.5199
_refine_diff_density_rms         0.1070
_refine_ls_abs_structure_details 
'Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). J. Appl. Cryst., 43, 665-668.'
_refine_ls_abs_structure_Flack   0.42(6)
_refine_ls_d_res_high            0.7236
_refine_ls_d_res_low             6.0959
_refine_ls_goodness_of_fit_ref   1.1136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    48
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4572
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.1136
_refine_ls_shift/su_max          0.0207
_refine_ls_shift/su_mean         0.0019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+0.6519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0689
_refine_ls_wR_factor_ref         0.0839
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
Ru1 Ru 0.15486(2) 0.24635(5) 0.86511(2) 0.0320(3) Uani 1.000000 .
Ru2 Ru -0.32675(2) 0.24546(5) 0.55760(2) 0.0314(3) Uani 1.000000 .
Cl1 Cl 0.06641(14) 0.3485(2) 0.99834(13) 0.0654(7) Uani 1.000000 .
Cl2 Cl -0.20838(14) 0.1462(2) 0.44116(13) 0.0674(8) Uani 1.000000 .
O1 O 0.0142(4) 0.1344(5) 0.8807(4) 0.0402(15) Uani 1.000000 .
O2 O -0.1945(4) 0.3625(4) 0.5473(4) 0.0338(14) Uani 1.000000 .
N1 N -0.1466(5) 0.2178(6) 0.7116(5) 0.0311(16) Uani 1.000000 .
N2 N -0.0310(5) 0.2850(6) 0.7183(5) 0.0286(15) Uani 1.000000 .
C1 C -0.1074(7) 0.1439(6) 0.8010(7) 0.0323(19) Uani 1.000000 .
C2 C -0.2121(7) 0.0645(6) 0.8108(7) 0.038(2) Uani 1.000000 .
C3 C -0.2631(7) -0.0125(7) 0.7172(7) 0.046(2) Uani 1.000000 .
H3 H -0.2324(7) -0.0144(7) 0.6481(7) 0.055(3) Uiso 1.000000 R
C4 C -0.3567(8) -0.0840(8) 0.7273(8) 0.069(3) Uani 1.000000 .
H4 H -0.3913(8) -0.1339(8) 0.6639(8) 0.083(4) Uiso 1.000000 R
C5 C -0.4007(8) -0.0839(9) 0.8284(9) 0.078(4) Uani 1.000000 .
H5 H -0.4641(8) -0.1341(9) 0.8347(9) 0.094(5) Uiso 1.000000 R
C6 C -0.3529(9) -0.0118(10) 0.9190(8) 0.065(3) Uani 1.000000 .
H6 H -0.3855(9) -0.0115(10) 0.9870(8) 0.078(4) Uiso 1.000000 R
C7 C -0.2550(7) 0.0635(8) 0.9140(7) 0.049(3) Uani 1.000000 .
H7 H -0.2199(7) 0.1118(8) 0.9793(7) 0.059(3) Uiso 1.000000 R
C8 C -0.0683(7) 0.3553(6) 0.6318(7) 0.0299(19) Uani 1.000000 .
C9 C 0.0338(7) 0.4381(6) 0.6266(6) 0.0300(18) Uani 1.000000 .
C10 C 0.0801(7) 0.5064(7) 0.7248(7) 0.044(2) Uani 1.000000 .
H10 H 0.0515(7) 0.5003(7) 0.7948(7) 0.053(3) Uiso 1.000000 R
C11 C 0.1738(8) 0.5881(7) 0.7187(8) 0.056(3) Uani 1.000000 .
H11 H 0.2053(8) 0.6361(7) 0.7847(8) 0.067(3) Uiso 1.000000 R
C12 C 0.2168(8) 0.5961(8) 0.6174(8) 0.058(3) Uani 1.000000 .
H12 H 0.2772(8) 0.6501(8) 0.6152(8) 0.069(4) Uiso 1.000000 R
C13 C 0.1732(7) 0.5254(7) 0.5153(7) 0.046(3) Uani 1.000000 .
C14 C 0.2236(7) 0.5315(7) 0.4141(7) 0.058(3) Uani 1.000000 .
H14 H 0.2855(7) 0.5843(7) 0.4119(7) 0.070(3) Uiso 1.000000 R
C15 C 0.1825(7) 0.4609(7) 0.3203(7) 0.054(2) Uani 1.000000 .
H15 H 0.2157(7) 0.4657(7) 0.2529(7) 0.065(3) Uiso 1.000000 R
C16 C 0.0918(7) 0.3813(7) 0.3220(6) 0.052(2) Uani 1.000000 .
H16 H 0.0653(7) 0.3325(7) 0.2565(6) 0.063(3) Uiso 1.000000 R
C17 C 0.0402(6) 0.3740(6) 0.4209(6) 0.0439(19) Uani 1.000000 .
H17 H -0.0210(6) 0.3199(6) 0.4207(6) 0.053(2) Uiso 1.000000 R
C18 C 0.0767(7) 0.4438(7) 0.5185(7) 0.035(2) Uani 1.000000 .
C19 C 0.2721(9) 0.2437(12) 0.7421(10) 0.096(8) Uani 1.000000 .
H19 H 0.2341(9) 0.2532(12) 0.6545(10) 0.115(9) Uiso 1.000000 R
C20 C 0.3158(9) 0.3282(13) 0.8141(10) 0.079(5) Uani 1.000000 .
H20 H 0.3177(9) 0.3932(13) 0.7778(10) 0.095(6) Uiso 1.000000 R
C21 C 0.3570(8) 0.3165(12) 0.9404(10) 0.095(6) Uani 1.000000 .
H21 H 0.3834(8) 0.3754(12) 0.9917(10) 0.113(7) Uiso 1.000000 R
C22 C 0.3618(8) 0.2200(14) 0.9978(8) 0.069(4) Uani 1.000000 .
H22 H 0.3897(8) 0.2136(14) 1.0857(8) 0.083(5) Uiso 1.000000 R
C23 C 0.3251(8) 0.1372(11) 0.9226(9) 0.061(3) Uani 1.000000 .
H23 H 0.3295(8) 0.0716(11) 0.9594(9) 0.073(4) Uiso 1.000000 R
C24 C 0.2790(8) 0.1450(11) 0.7870(9) 0.079(4) Uani 1.000000 .
H24 H 0.2556(8) 0.0870(11) 0.7341(9) 0.094(5) Uiso 1.000000 R
C25 C -0.4868(8) 0.3596(10) 0.5339(10) 0.089(5) Uani 1.000000 .
H25 H -0.4772(8) 0.4318(10) 0.5360(10) 0.107(6) Uiso 1.000000 R
C26 C -0.4704(8) 0.3024(12) 0.6453(9) 0.074(4) Uani 1.000000 .
H26 H -0.4542(8) 0.3364(12) 0.7223(9) 0.089(5) Uiso 1.000000 R
C27 C -0.4786(7) 0.1941(11) 0.6386(8) 0.064(4) Uani 1.000000 .
H27 H -0.4673(7) 0.1563(11) 0.7123(8) 0.077(5) Uiso 1.000000 R
C28 C -0.5037(8) 0.1396(10) 0.5233(9) 0.070(4) Uani 1.000000 .
H28 H -0.5073(8) 0.0671(10) 0.5209(9) 0.084(4) Uiso 1.000000 R
C29 C -0.5223(8) 0.1956(12) 0.4165(8) 0.073(4) Uani 1.000000 .
H29 H -0.5379(8) 0.1605(12) 0.3402(8) 0.088(4) Uiso 1.000000 R
C30 C -0.5189(8) 0.3030(12) 0.4175(8) 0.066(4) Uani 1.000000 .
H30 H -0.5377(8) 0.3391(12) 0.3415(8) 0.079(4) Uiso 1.000000 R


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.383(2) . ?
Ru1 O1 2.074(5) . ?
Ru1 N2 2.092(5) . ?
Ru1 C19 2.110(10) . ?
Ru1 C20 2.178(11) . ?
Ru1 C21 2.131(9) . ?
Ru1 C22 2.142(8) . ?
Ru1 C23 2.143(10) . ?
Ru1 C24 2.192(10) . ?
Ru2 Cl2 2.4182(19) . ?
Ru2 O2 2.043(5) . ?
Ru2 N1 2.068(5) . ?
Ru2 C25 2.135(11) . ?
Ru2 C26 2.148(8) . ?
Ru2 C27 2.145(8) . ?
Ru2 C28 2.177(10) . ?
Ru2 C29 2.166(9) . ?
Ru2 C30 2.169(9) . ?
O1 C1 1.255(8) . ?
O2 C8 1.308(8) . ?
N1 N2 1.438(5) . ?
N1 C1 1.335(10) . ?
N2 C8 1.281(9) . ?
C1 C2 1.504(10) . ?
C2 C3 1.402(11) . ?
C2 C7 1.369(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.353(12) . ?
C4 H4 0.9300 . ?
C4 C5 1.353(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.335(14) . ?
C6 H6 0.9300 . ?
C6 C7 1.401(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.499(10) . ?
C9 C10 1.357(10) . ?
C9 C18 1.423(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.433(11) . ?
C11 H11 0.9300 . ?
C11 C12 1.353(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.406(12) . ?
C13 C14 1.399(10) . ?
C13 C18 1.442(11) . ?
C14 H14 0.9300 . ?
C14 C15 1.340(11) . ?
C15 H15 0.9300 . ?
C15 C16 1.379(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.383(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.362(10) . ?
C19 H19 0.9300 . ?
C19 C20 1.332(18) . ?
C19 C24 1.355(18) . ?
C20 H20 0.9300 . ?
C20 C21 1.340(14) . ?
C21 H21 0.9300 . ?
C21 C22 1.39(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.326(18) . ?
C23 H23 0.9300 . ?
C23 C24 1.431(13) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.408(15) . ?
C25 C30 1.429(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.39(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.412(15) . ?
C28 H28 0.9300 . ?
C28 C29 1.351(14) . ?
C29 H29 0.9300 . ?
C29 C30 1.38(2) . ?
C30 H30 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 Ru1 Cl1 84.71(16) . . ?
N2 Ru1 Cl1 85.99(18) . . ?
N2 Ru1 O1 76.7(2) . . ?
C19 Ru1 Cl1 146.9(4) . . ?
C19 Ru1 O1 127.2(4) . . ?
C19 Ru1 N2 92.8(3) . . ?
C20 Ru1 Cl1 112.3(4) . . ?
C20 Ru1 O1 163.0(4) . . ?
C20 Ru1 N2 103.6(3) . . ?
C20 Ru1 C19 36.1(5) . . ?
C21 Ru1 Cl1 92.3(3) . . ?
C21 Ru1 O1 148.9(4) . . ?
C21 Ru1 N2 134.1(4) . . ?
C21 Ru1 C19 65.3(4) . . ?
C21 Ru1 C20 36.2(4) . . ?
C22 Ru1 Cl1 98.2(4) . . ?
C22 Ru1 O1 111.8(4) . . ?
C22 Ru1 N2 170.7(3) . . ?
C22 Ru1 C19 79.1(4) . . ?
C22 Ru1 C20 67.2(4) . . ?
C22 Ru1 C21 37.9(6) . . ?
C23 Ru1 Cl1 127.6(3) . . ?
C23 Ru1 O1 91.8(3) . . ?
C23 Ru1 N2 143.8(4) . . ?
C23 Ru1 C19 66.9(4) . . ?
C23 Ru1 C20 78.0(5) . . ?
C23 Ru1 C21 65.8(5) . . ?
C23 Ru1 C22 36.1(5) . . ?
C24 Ru1 Cl1 165.7(2) . . ?
C24 Ru1 O1 97.6(4) . . ?
C24 Ru1 N2 108.3(3) . . ?
C24 Ru1 C19 36.7(5) . . ?
C24 Ru1 C20 66.0(5) . . ?
C24 Ru1 C21 78.5(4) . . ?
C24 Ru1 C22 67.8(4) . . ?
C24 Ru1 C23 38.5(3) . . ?
O2 Ru2 Cl2 84.06(15) . . ?
N1 Ru2 Cl2 84.19(17) . . ?
N1 Ru2 O2 76.3(2) . . ?
C25 Ru2 Cl2 142.4(3) . . ?
C25 Ru2 O2 88.7(3) . . ?
C25 Ru2 N1 129.7(3) . . ?
C26 Ru2 Cl2 165.4(3) . . ?
C26 Ru2 O2 109.9(4) . . ?
C26 Ru2 N1 102.8(3) . . ?
C26 Ru2 C25 38.4(4) . . ?
C27 Ru2 Cl2 129.1(4) . . ?
C27 Ru2 O2 146.3(4) . . ?
C27 Ru2 N1 98.8(3) . . ?
C27 Ru2 C25 68.6(4) . . ?
C27 Ru2 C26 37.8(6) . . ?
C28 Ru2 Cl2 96.3(3) . . ?
C28 Ru2 O2 165.0(3) . . ?
C28 Ru2 N1 118.7(3) . . ?
C28 Ru2 C25 81.8(5) . . ?
C28 Ru2 C26 69.1(4) . . ?
C28 Ru2 C27 38.1(4) . . ?
C29 Ru2 Cl2 87.2(3) . . ?
C29 Ru2 O2 129.1(4) . . ?
C29 Ru2 N1 152.1(4) . . ?
C29 Ru2 C25 69.2(5) . . ?
C29 Ru2 C26 80.7(4) . . ?
C29 Ru2 C27 66.8(3) . . ?
C29 Ru2 C28 36.2(4) . . ?
C30 Ru2 Cl2 106.2(3) . . ?
C30 Ru2 O2 98.9(3) . . ?
C30 Ru2 N1 168.2(4) . . ?
C30 Ru2 C25 38.8(4) . . ?
C30 Ru2 C26 68.4(4) . . ?
C30 Ru2 C27 79.2(3) . . ?
C30 Ru2 C28 66.5(4) . . ?
C30 Ru2 C29 37.1(6) . . ?
C1 O1 Ru1 114.2(5) . . ?
C8 O2 Ru2 114.0(5) . . ?
N2 N1 Ru2 114.3(3) . . ?
C1 N1 Ru2 134.2(5) . . ?
C1 N1 N2 111.0(5) . . ?
N1 N2 Ru1 113.5(3) . . ?
C8 N2 Ru1 135.5(5) . . ?
C8 N2 N1 111.0(5) . . ?
N1 C1 O1 124.7(7) . . ?
C2 C1 O1 115.4(7) . . ?
C2 C1 N1 120.0(6) . . ?
C3 C2 C1 120.6(7) . . ?
C7 C2 C1 120.4(7) . . ?
C7 C2 C3 118.9(7) . . ?
H3 C3 C2 119.9(4) . . ?
C4 C3 C2 120.2(8) . . ?
C4 C3 H3 119.9(6) . . ?
H4 C4 C3 119.5(6) . . ?
C5 C4 C3 120.9(9) . . ?
C5 C4 H4 119.5(6) . . ?
H5 C5 C4 120.0(6) . . ?
C6 C5 C4 119.9(9) . . ?
C6 C5 H5 120.0(6) . . ?
H6 C6 C5 119.2(6) . . ?
C7 C6 C5 121.6(8) . . ?
C7 C6 H6 119.2(5) . . ?
C6 C7 C2 118.5(9) . . ?
H7 C7 C2 120.8(5) . . ?
H7 C7 C6 120.8(5) . . ?
N2 C8 O2 123.9(6) . . ?
C9 C8 O2 116.1(6) . . ?
C9 C8 N2 119.9(6) . . ?
C10 C9 C8 118.4(6) . . ?
C18 C9 C8 119.2(6) . . ?
C18 C9 C10 122.3(7) . . ?
H10 C10 C9 120.6(4) . . ?
C11 C10 C9 118.9(7) . . ?
C11 C10 H10 120.6(5) . . ?
H11 C11 C10 119.8(5) . . ?
C12 C11 C10 120.5(8) . . ?
C12 C11 H11 119.8(5) . . ?
H12 C12 C11 119.0(5) . . ?
C13 C12 C11 122.1(8) . . ?
C13 C12 H12 119.0(5) . . ?
C14 C13 C12 121.5(8) . . ?
C18 C13 C12 118.3(7) . . ?
C18 C13 C14 120.2(8) . . ?
H14 C14 C13 120.1(5) . . ?
C15 C14 C13 119.8(8) . . ?
C15 C14 H14 120.1(4) . . ?
H15 C15 C14 119.4(4) . . ?
C16 C15 C14 121.2(7) . . ?
C16 C15 H15 119.4(4) . . ?
H16 C16 C15 120.0(4) . . ?
C17 C16 C15 120.0(7) . . ?
C17 C16 H16 120.0(5) . . ?
H17 C17 C16 119.1(5) . . ?
C18 C17 C16 121.7(7) . . ?
C18 C17 H17 119.1(4) . . ?
C13 C18 C9 117.9(7) . . ?
C17 C18 C9 124.9(7) . . ?
C17 C18 C13 117.1(7) . . ?
H19 C19 Ru1 124.4(2) . . ?
C20 C19 Ru1 74.7(7) . . ?
C20 C19 H19 117.6(7) . . ?
C24 C19 Ru1 74.9(7) . . ?
C24 C19 H19 117.6(7) . . ?
C24 C19 C20 124.7(11) . . ?
C19 C20 Ru1 69.2(7) . . ?
H20 C20 Ru1 132.6(4) . . ?
H20 C20 C19 121.1(7) . . ?
C21 C20 Ru1 70.0(6) . . ?
C21 C20 C19 117.9(14) . . ?
C21 C20 H20 121.1(10) . . ?
C20 C21 Ru1 73.8(6) . . ?
H21 C21 Ru1 128.3(3) . . ?
H21 C21 C20 118.7(10) . . ?
C22 C21 Ru1 71.5(6) . . ?
C22 C21 C20 122.5(13) . . ?
C22 C21 H21 118.7(7) . . ?
C21 C22 Ru1 70.6(5) . . ?
H22 C22 Ru1 128.1(2) . . ?
H22 C22 C21 121.2(7) . . ?
C23 C22 Ru1 72.0(5) . . ?
C23 C22 C21 117.5(9) . . ?
C23 C22 H22 121.2(7) . . ?
C22 C23 Ru1 71.9(6) . . ?
H23 C23 Ru1 129.3(3) . . ?
H23 C23 C22 118.8(7) . . ?
C24 C23 Ru1 72.6(6) . . ?
C24 C23 C22 122.4(12) . . ?
C24 C23 H23 118.8(8) . . ?
C19 C24 Ru1 68.4(7) . . ?
C23 C24 Ru1 68.9(6) . . ?
C23 C24 C19 114.6(11) . . ?
H24 C24 Ru1 132.4(3) . . ?
H24 C24 C19 122.7(7) . . ?
H24 C24 C23 122.7(8) . . ?
H25 C25 Ru2 127.6(3) . . ?
C26 C25 Ru2 71.3(6) . . ?
C26 C25 H25 121.1(7) . . ?
C30 C25 Ru2 71.9(6) . . ?
C30 C25 H25 121.1(7) . . ?
C30 C25 C26 117.7(11) . . ?
C25 C26 Ru2 70.3(6) . . ?
H26 C26 Ru2 130.8(2) . . ?
H26 C26 C25 120.5(8) . . ?
C27 C26 Ru2 71.0(5) . . ?
C27 C26 C25 119.1(9) . . ?
C27 C26 H26 120.5(5) . . ?
C26 C27 Ru2 71.2(5) . . ?
H27 C27 Ru2 130.5(2) . . ?
H27 C27 C26 119.0(5) . . ?
C28 C27 Ru2 72.2(5) . . ?
C28 C27 C26 122.1(9) . . ?
C28 C27 H27 119.0(7) . . ?
C27 C28 Ru2 69.7(6) . . ?
H28 C28 Ru2 130.5(3) . . ?
H28 C28 C27 120.8(7) . . ?
C29 C28 Ru2 71.4(6) . . ?
C29 C28 C27 118.3(12) . . ?
C29 C28 H28 120.8(8) . . ?
C28 C29 Ru2 72.3(5) . . ?
H29 C29 Ru2 129.5(3) . . ?
H29 C29 C28 119.1(8) . . ?
C30 C29 Ru2 71.6(5) . . ?
C30 C29 C28 121.8(10) . . ?
C30 C29 H29 119.1(5) . . ?
C25 C30 Ru2 69.3(5) . . ?
C29 C30 Ru2 71.3(5) . . ?
C29 C30 C25 120.8(9) . . ?
H30 C30 Ru2 133.0(2) . . ?
H30 C30 C25 119.6(7) . . ?
H30 C30 C29 119.6(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 O1 C1 N1 0.7(6) . . . . ?
Ru1 O1 C1 C2 -179.4(5) . . . . ?
Ru1 N2 N1 Ru2 -174.69(17) . . . . ?
Ru1 N2 N1 C1 -1.0(6) . . . . ?
Ru1 N2 C8 O2 179.0(6) . . . . ?
Ru1 N2 C8 C9 -3.3(8) . . . . ?
Ru1 C19 C20 C21 52.0(6) . . . . ?
Ru1 C19 C24 C23 -52.6(5) . . . . ?
Ru1 C20 C19 C24 -58.8(6) . . . . ?
Ru1 C20 C21 C22 54.7(7) . . . . ?
Ru1 C21 C20 C19 -51.6(7) . . . . ?
Ru1 C21 C22 C23 56.5(6) . . . . ?
Ru1 C22 C21 C20 -55.8(7) . . . . ?
Ru1 C22 C23 C24 54.5(6) . . . . ?
Ru1 C23 C22 C21 -55.8(5) . . . . ?
Ru1 C23 C24 C19 52.4(6) . . . . ?
Ru1 C24 C19 C20 58.7(6) . . . . ?
Ru1 C24 C23 C22 -54.2(7) . . . . ?
Ru2 O2 C8 N2 -3.5(5) . . . . ?
Ru2 O2 C8 C9 178.8(4) . . . . ?
Ru2 N1 N2 C8 5.7(6) . . . . ?
Ru2 N1 C1 O1 172.2(7) . . . . ?
Ru2 N1 C1 C2 -7.7(8) . . . . ?
Ru2 C25 C26 C27 -53.5(5) . . . . ?
Ru2 C25 C30 C29 51.4(5) . . . . ?
Ru2 C26 C25 C30 56.8(5) . . . . ?
Ru2 C26 C27 C28 -53.5(6) . . . . ?
Ru2 C27 C26 C25 53.2(6) . . . . ?
Ru2 C27 C28 C29 -54.2(6) . . . . ?
Ru2 C28 C27 C26 53.1(5) . . . . ?
Ru2 C28 C29 C30 -54.0(6) . . . . ?
Ru2 C29 C28 C27 53.3(5) . . . . ?
Ru2 C29 C30 C25 -50.5(6) . . . . ?
Ru2 C30 C25 C26 -56.5(5) . . . . ?
Ru2 C30 C29 C28 54.4(6) . . . . ?
O1 C1 N1 N2 0.2(9) . . . . ?
O1 C1 C2 C3 -109.9(7) . . . . ?
O1 C1 C2 C7 67.5(8) . . . . ?
O2 C8 N2 N1 -1.5(8) . . . . ?
O2 C8 C9 C10 113.2(7) . . . . ?
O2 C8 C9 C18 -65.6(7) . . . . ?
N1 N2 C8 C9 176.1(5) . . . . ?
N1 C1 C2 C3 70.0(8) . . . . ?
N1 C1 C2 C7 -112.6(8) . . . . ?
N2 C8 C9 C10 -64.6(8) . . . . ?
N2 C8 C9 C18 116.6(7) . . . . ?
C1 C2 C3 C4 179.6(7) . . . . ?
C1 C2 C7 C6 179.9(7) . . . . ?
C2 C3 C4 C5 -1.3(9) . . . . ?
C2 C7 C6 C5 2.4(9) . . . . ?
C3 C4 C5 C6 0.9(10) . . . . ?
C4 C5 C6 C7 -1.4(11) . . . . ?
C8 C9 C10 C11 -177.8(7) . . . . ?
C8 C9 C18 C13 179.0(6) . . . . ?
C8 C9 C18 C17 -5.2(8) . . . . ?
C9 C10 C11 C12 -0.9(9) . . . . ?
C9 C18 C13 C12 -1.5(8) . . . . ?
C9 C18 C13 C14 177.1(7) . . . . ?
C9 C18 C17 C16 -176.6(7) . . . . ?
C10 C11 C12 C13 -0.4(10) . . . . ?
C11 C12 C13 C14 -176.9(8) . . . . ?
C11 C12 C13 C18 1.6(10) . . . . ?
C12 C13 C14 C15 178.2(8) . . . . ?
C12 C13 C18 C17 -177.6(7) . . . . ?
C13 C14 C15 C16 -0.6(9) . . . . ?
C13 C18 C17 C16 -0.7(8) . . . . ?
C14 C15 C16 C17 0.8(9) . . . . ?
C15 C16 C17 C18 -0.1(9) . . . . ?
C19 C20 C21 C22 3.1(12) . . . . ?
C19 C24 C23 C22 -1.8(10) . . . . ?
C20 C21 C22 C23 0.7(10) . . . . ?
C21 C22 C23 C24 -1.3(10) . . . . ?
C25 C26 C27 C28 -0.3(10) . . . . ?
C25 C30 C29 C28 3.8(10) . . . . ?
C26 C27 C28 C29 -1.1(8) . . . . ?
C27 C28 C29 C30 -0.7(10) . . . . ?


_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
;
