# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_rpcl_a
_database_code_depnum_ccdc_archive 'CCDC 2248640'
_audit_update_record             
;
2024-11-28 deposited with the CCDC.	2024-11-29 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT213_RpCl                
;
PROBLEM: PLAT213_ALERT_2_B Atom C40   has ADP max/min Ratio .....   4.9 prolat
RESPONSE: The problem results from the quality of the crystal on the one hand, and from the other hand, it is the result  of conducting the measurement at room temperature.  Undoubtedly, the measurement at low temperature would  significantly limit the size of the thermal ellipsoids of atoms, including the C40 atom. Unfortunately, such a possibility was not available.
;
# end Validation Reply Form

_audit_creation_date             2024-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H41 Cl3 N2 O2 Ru2 [+ solvent]'
_chemical_formula_sum            'C40 H41 Cl3 N2 O2 Ru2 [+ solvent]'
_chemical_formula_weight         890.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C40 H39 Cl3 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      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                   9.2909(3)
_cell_length_b                   9.9699(4)
_cell_length_c                   21.8283(9)
_cell_angle_alpha                97.571(3)
_cell_angle_beta                 97.284(3)
_cell_angle_gamma                92.445(3)
_cell_volume                     1984.51(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7006
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.9520
_cell_measurement_theta_min      3.8260
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.998
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73867
_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            brown
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.839
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18069
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.539
_diffrn_reflns_theta_min         3.491
_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 0.997
_diffrn_measured_fraction_theta_max 0.839
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00  14.00   1.00   19.39    --  -10.76 -38.00-180.00   99
  2  ω    -40.00  39.00   1.00   19.39    --  -10.76  77.00 -60.00   79
  3  ω    -83.00 -52.00   1.00   19.39    --  -10.76 -38.00 150.00   31
  4  ω     10.00  38.00   1.00   19.39    --  -10.76  77.00 -30.00   28
  5  ω    -21.00  30.00   1.00   19.39    --   10.76  77.00-180.00   51
  6  ω      1.00  51.00   1.00   19.39    --   10.76 -99.00  60.00   50
;
_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      -0.0571685000
_diffrn_orient_matrix_UB_12      -0.0414767000
_diffrn_orient_matrix_UB_13      0.0076625000
_diffrn_orient_matrix_UB_21      -0.0510637000
_diffrn_orient_matrix_UB_22      0.0458692000
_diffrn_orient_matrix_UB_23      -0.0102787000
_diffrn_orient_matrix_UB_31      -0.0083359000
_diffrn_orient_matrix_UB_32      -0.0366805000
_diffrn_orient_matrix_UB_33      -0.0304916000
_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                6370
_reflns_number_total             9316
_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 1.171.42.49 (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 2019/3 (Sheldrick, 2015)'
_refine_diff_density_max         1.313
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         9316
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0616
_refine_ls_restrained_S_all      1.089
_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)+(0.0306P)²+5.6095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1353
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C28-C30
 1.4 with sigma of 0.02
3. Others
 Sof(H38)=Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=1-FVAR(1)
 Sof(H38A)=Sof(C40A)=Sof(H40D)=Sof(H40E)=Sof(H40F)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C28(H28), C38(H38), C38(H38A)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C25(H25),
  C26(H26), C32(H32), C33(H33), C35(H35), C36(H36)
4.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C37(H37A,H37B,
 H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C40A(H40D,H40E,H40F)
;
_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 0.46725(5) 0.03946(5) 0.23837(2) 0.04505(14) Uani 1 1 d . . . . .
Ru2 Ru 0.02720(4) 0.05137(4) 0.34354(2) 0.03826(12) Uani 1 1 d . . . . .
Cl1 Cl 0.4035(3) 0.4444(3) 0.60692(10) 0.1235(10) Uani 1 1 d . . . . .
Cl3 Cl -0.00678(16) 0.25883(15) 0.30003(7) 0.0519(3) Uani 1 1 d . . . . .
Cl4 Cl 0.50535(17) -0.16584(16) 0.28350(8) 0.0633(4) Uani 1 1 d . . . . .
O1 O 0.4819(4) 0.1310(4) 0.32945(17) 0.0482(9) Uani 1 1 d . . . . .
O2 O 0.0119(4) -0.0403(4) 0.25239(16) 0.0453(9) Uani 1 1 d . . . . .
N1 N 0.2555(4) 0.0137(4) 0.25994(18) 0.0359(9) Uani 1 1 d . . . . .
N2 N 0.2393(4) 0.0729(4) 0.32191(18) 0.0363(9) Uani 1 1 d . . . . .
C1 C 0.3611(6) 0.1306(5) 0.3521(2) 0.0405(12) Uani 1 1 d . . . . .
C2 C 0.3651(6) 0.2066(6) 0.4154(2) 0.0462(13) Uani 1 1 d . . . . .
C3 C 0.4431(7) 0.1601(6) 0.4659(3) 0.0605(17) Uani 1 1 d . . . . .
H3 H 0.490659 0.080143 0.459894 0.073 Uiso 1 1 calc R U . . .
C4 C 0.4511(8) 0.2310(8) 0.5252(3) 0.076(2) Uani 1 1 d . . . . .
H4 H 0.499821 0.197036 0.559224 0.091 Uiso 1 1 calc R U . . .
C5 C 0.3867(9) 0.3515(8) 0.5332(3) 0.073(2) Uani 1 1 d . . . . .
C6 C 0.3102(8) 0.4003(7) 0.4840(3) 0.071(2) Uani 1 1 d . . . . .
H6 H 0.266240 0.482256 0.490064 0.085 Uiso 1 1 calc R U . . .
C7 C 0.2988(7) 0.3268(6) 0.4252(3) 0.0570(16) Uani 1 1 d . . . . .
H7 H 0.245437 0.359088 0.391826 0.068 Uiso 1 1 calc R U . . .
C8 C 0.1327(5) -0.0441(5) 0.2295(2) 0.0394(12) Uani 1 1 d . . . . .
C9 C 0.1293(6) -0.1174(5) 0.1657(2) 0.0415(12) Uani 1 1 d . . . . .
C10 C 0.0360(7) -0.0822(6) 0.1183(3) 0.0634(18) Uani 1 1 d . . . . .
H10 H -0.025597 -0.012907 0.126666 0.076 Uiso 1 1 calc R U . . .
C11 C 0.0301(8) -0.1460(7) 0.0586(3) 0.0686(19) Uani 1 1 d . . . . .
H11 H -0.032826 -0.117344 0.026901 0.082 Uiso 1 1 calc R U . . .
C12 C 0.1173(7) -0.2536(6) 0.0443(3) 0.0549(15) Uani 1 1 d . . . . .
C13 C 0.2041(7) -0.2948(6) 0.0937(3) 0.0584(16) Uani 1 1 d . . . . .
H13 H 0.259987 -0.368879 0.086179 0.070 Uiso 1 1 calc R U . . .
C14 C 0.2104(6) -0.2297(6) 0.1536(3) 0.0522(14) Uani 1 1 d . . . . .
H14 H 0.268811 -0.260693 0.185971 0.063 Uiso 1 1 calc R U . . .
C15 C 0.1150(8) -0.3189(7) -0.0215(3) 0.0664(18) Uani 1 1 d . . . . .
C16 C 0.0820(11) -0.2490(10) -0.0699(3) 0.104(3) Uani 1 1 d . . . . .
H16 H 0.064451 -0.157719 -0.061549 0.125 Uiso 1 1 calc R U . . .
C17 C 0.0732(13) -0.3076(12) -0.1316(4) 0.120(4) Uani 1 1 d . . . . .
H17 H 0.049006 -0.256890 -0.163785 0.144 Uiso 1 1 calc R U . . .
C18 C 0.0999(11) -0.4372(12) -0.1438(4) 0.109(3) Uani 1 1 d . . . . .
H18 H 0.096299 -0.476705 -0.185047 0.130 Uiso 1 1 calc R U . . .
C19 C 0.1318(11) -0.5121(10) -0.0981(5) 0.106(3) Uani 1 1 d . . . . .
H19 H 0.147683 -0.603530 -0.107679 0.127 Uiso 1 1 calc R U . . .
C20 C 0.1414(9) -0.4534(8) -0.0359(4) 0.087(2) Uani 1 1 d . . . . .
H20 H 0.165728 -0.505265 -0.004098 0.104 Uiso 1 1 calc R U . . .
C21 C 0.5841(9) -0.0322(7) 0.1602(4) 0.074(2) Uani 1 1 d . . . . .
C22 C 0.4472(8) 0.0119(8) 0.1370(3) 0.076(2) Uani 1 1 d . . . . .
H22 H 0.384741 -0.044052 0.106586 0.091 Uiso 1 1 calc R U . . .
C23 C 0.4070(7) 0.1414(7) 0.1604(3) 0.0631(17) Uani 1 1 d . . . . .
H23 H 0.314892 0.167497 0.146591 0.076 Uiso 1 1 calc R U . . .
C24 C 0.4982(7) 0.2310(7) 0.2029(3) 0.0626(17) Uani 1 1 d . . . . .
C25 C 0.6327(7) 0.1853(7) 0.2232(3) 0.0606(16) Uani 1 1 d . . . . .
H25 H 0.697049 0.243697 0.251727 0.073 Uiso 1 1 calc R U . . .
C26 C 0.6762(7) 0.0584(7) 0.2034(3) 0.0664(18) Uani 1 1 d . . . . .
H26 H 0.767469 0.033070 0.218907 0.080 Uiso 1 1 calc R U . . .
C27 C 0.6287(12) -0.1742(9) 0.1402(5) 0.130(4) Uani 1 1 d . . . . .
H27A H 0.691454 -0.171879 0.108623 0.195 Uiso 1 1 calc R U . . .
H27B H 0.543706 -0.232288 0.123932 0.195 Uiso 1 1 calc R U . . .
H27C H 0.679322 -0.208360 0.175551 0.195 Uiso 1 1 calc R U . . .
C28 C 0.4614(10) 0.3746(8) 0.2292(4) 0.092(3) Uani 1 1 d D . . . .
H28 H 0.501972 0.390063 0.273421 0.111 Uiso 1 1 calc R U . . .
C29 C 0.3061(12) 0.3949(10) 0.2257(6) 0.141(4) Uani 1 1 d . . . . .
H29A H 0.262844 0.381053 0.182850 0.212 Uiso 1 1 calc R U . . .
H29B H 0.292085 0.485540 0.243988 0.212 Uiso 1 1 calc R U . . .
H29C H 0.261182 0.331335 0.247978 0.212 Uiso 1 1 calc R U . . .
C30 C 0.5352(16) 0.4739(10) 0.1983(8) 0.223(9) Uani 1 1 d D . . . .
H30A H 0.497376 0.462133 0.154784 0.334 Uiso 1 1 calc R U . . .
H30B H 0.637585 0.461042 0.202904 0.334 Uiso 1 1 calc R U . . .
H30C H 0.518909 0.563779 0.216906 0.334 Uiso 1 1 calc R U . . .
C31 C -0.0883(8) 0.1281(6) 0.4219(3) 0.0597(17) Uani 1 1 d . . . . .
C32 C -0.1821(6) 0.0348(7) 0.3788(3) 0.0534(15) Uani 1 1 d . . . . .
H32 H -0.273475 0.059865 0.363275 0.064 Uiso 1 1 calc R U . . .
C33 C -0.1387(6) -0.0938(6) 0.3596(3) 0.0535(15) Uani 1 1 d . . . . .
H33 H -0.202358 -0.153106 0.331190 0.064 Uiso 1 1 calc R U . . .
C34 C -0.0007(7) -0.1384(6) 0.3818(3) 0.0503(14) Uani 1 1 d . . . . .
C35 C 0.0902(6) -0.0452(6) 0.4243(3) 0.0507(14) Uani 1 1 d . . . . .
H35 H 0.181621 -0.070071 0.439796 0.061 Uiso 1 1 calc R U . . .
C36 C 0.0474(7) 0.0859(6) 0.4446(2) 0.0517(15) Uani 1 1 d . . . . .
H36 H 0.110432 0.144861 0.473508 0.062 Uiso 1 1 calc R U . . .
C37 C -0.1328(10) 0.2686(8) 0.4400(4) 0.098(3) Uani 1 1 d . . . . .
H37A H -0.047783 0.329052 0.451989 0.147 Uiso 1 1 calc R U . . .
H37B H -0.187944 0.269612 0.474376 0.147 Uiso 1 1 calc R U . . .
H37C H -0.191413 0.297392 0.405183 0.147 Uiso 1 1 calc R U . . .
C38 C 0.0403(10) -0.2797(7) 0.3587(5) 0.091(3) Uani 1 1 d . . . . .
H38 H 0.005710 -0.294245 0.313877 0.110 Uiso 0.495(18) 1 calc R U P A 1
H38A H 0.007764 -0.333345 0.389450 0.110 Uiso 0.505(18) 1 calc R U P A 2
C39 C 0.1911(12) -0.2995(11) 0.3636(7) 0.163(6) Uani 1 1 d . . . . .
H39A H 0.205995 -0.394702 0.360865 0.244 Uiso 1 1 calc R U . . .
H39B H 0.238434 -0.254025 0.403000 0.244 Uiso 1 1 calc R U . . .
H39C H 0.231180 -0.263229 0.330412 0.244 Uiso 1 1 calc R U . . .
C40 C -0.032(3) -0.3825(15) 0.3834(13) 0.158(14) Uani 0.495(18) 1 d . . P A 1
H40A H -0.051991 -0.461074 0.352426 0.237 Uiso 0.495(18) 1 calc R U P A 1
H40B H -0.122052 -0.351040 0.395554 0.237 Uiso 0.495(18) 1 calc R U P A 1
H40C H 0.027810 -0.405640 0.419187 0.237 Uiso 0.495(18) 1 calc R U P A 1
C40A C -0.039(3) -0.3451(18) 0.3014(9) 0.142(12) Uani 0.505(18) 1 d . . P A 2
H40D H 0.000747 -0.313428 0.266984 0.213 Uiso 0.505(18) 1 calc R U P A 2
H40E H -0.139247 -0.324379 0.299699 0.213 Uiso 0.505(18) 1 calc R U P A 2
H40F H -0.031700 -0.441368 0.298893 0.213 Uiso 0.505(18) 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 Cl4 2.4062(16) . ?
Ru1 O1 2.061(4) . ?
Ru1 N1 2.093(4) . ?
Ru1 C21 2.194(7) . ?
Ru1 C22 2.177(7) . ?
Ru1 C23 2.123(6) . ?
Ru1 C24 2.175(7) . ?
Ru1 C25 2.157(6) . ?
Ru1 C26 2.184(6) . ?
Ru2 Cl3 2.4035(15) . ?
Ru2 O2 2.062(3) . ?
Ru2 N2 2.092(4) . ?
Ru2 C31 2.204(6) . ?
Ru2 C32 2.189(6) . ?
Ru2 C33 2.162(6) . ?
Ru2 C34 2.184(6) . ?
Ru2 C35 2.148(5) . ?
Ru2 C36 2.171(5) . ?
Cl1 C5 1.733(7) . ?
O1 C1 1.282(6) . ?
O2 C8 1.285(6) . ?
N1 N2 1.432(5) . ?
N1 C8 1.314(6) . ?
N2 C1 1.305(6) . ?
C1 C2 1.481(7) . ?
C2 C3 1.385(7) . ?
C2 C7 1.375(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.382(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.366(10) . ?
C5 C6 1.367(10) . ?
C6 H6 0.9300 . ?
C6 C7 1.380(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.480(7) . ?
C9 C10 1.357(8) . ?
C9 C14 1.391(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.367(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.398(8) . ?
C12 C13 1.380(8) . ?
C12 C15 1.493(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.374(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.353(10) . ?
C15 C20 1.376(9) . ?
C16 H16 0.9300 . ?
C16 C17 1.385(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.324(13) . ?
C18 H18 0.9300 . ?
C18 C19 1.335(13) . ?
C19 H19 0.9300 . ?
C19 C20 1.397(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.418(10) . ?
C21 C26 1.394(10) . ?
C21 C27 1.516(10) . ?
C22 H22 0.9300 . ?
C22 C23 1.409(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.376(9) . ?
C24 C25 1.389(9) . ?
C24 C28 1.539(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.376(9) . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28 0.9800 . ?
C28 C29 1.460(12) . ?
C28 C30 1.463(11) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.415(9) . ?
C31 C36 1.398(9) . ?
C31 C37 1.495(9) . ?
C32 H32 0.9300 . ?
C32 C33 1.389(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.423(8) . ?
C34 C35 1.394(8) . ?
C34 C38 1.514(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.414(8) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38 0.9800 . ?
C38 H38A 0.9800 . ?
C38 C39 1.416(12) . ?
C38 C40 1.405(18) . ?
C38 C40A 1.430(17) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C40A H40D 0.9600 . ?
C40A H40E 0.9600 . ?
C40A H40F 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
O1 Ru1 Cl4 84.82(12) . . ?
O1 Ru1 N1 76.45(14) . . ?
O1 Ru1 C21 146.9(2) . . ?
O1 Ru1 C22 161.1(2) . . ?
O1 Ru1 C23 123.4(2) . . ?
O1 Ru1 C24 93.1(2) . . ?
O1 Ru1 C25 88.9(2) . . ?
O1 Ru1 C26 110.7(2) . . ?
N1 Ru1 Cl4 84.19(12) . . ?
N1 Ru1 C21 136.1(2) . . ?
N1 Ru1 C22 105.7(2) . . ?
N1 Ru1 C23 95.1(2) . . ?
N1 Ru1 C24 110.7(2) . . ?
N1 Ru1 C25 144.8(2) . . ?
N1 Ru1 C26 172.7(2) . . ?
C21 Ru1 Cl4 91.7(2) . . ?
C22 Ru1 Cl4 114.0(2) . . ?
C22 Ru1 C21 37.9(3) . . ?
C22 Ru1 C26 67.0(3) . . ?
C23 Ru1 Cl4 150.9(2) . . ?
C23 Ru1 C21 68.8(3) . . ?
C23 Ru1 C22 38.2(3) . . ?
C23 Ru1 C24 37.3(2) . . ?
C23 Ru1 C25 66.5(3) . . ?
C23 Ru1 C26 79.6(3) . . ?
C24 Ru1 Cl4 164.08(19) . . ?
C24 Ru1 C21 81.4(3) . . ?
C24 Ru1 C22 68.4(3) . . ?
C24 Ru1 C26 68.0(3) . . ?
C25 Ru1 Cl4 126.69(18) . . ?
C25 Ru1 C21 67.0(3) . . ?
C25 Ru1 C22 78.8(3) . . ?
C25 Ru1 C24 37.4(2) . . ?
C25 Ru1 C26 37.0(2) . . ?
C26 Ru1 Cl4 97.91(19) . . ?
C26 Ru1 C21 37.1(3) . . ?
O2 Ru2 Cl3 85.66(11) . . ?
O2 Ru2 N2 76.20(14) . . ?
O2 Ru2 C31 147.2(2) . . ?
O2 Ru2 C32 110.89(19) . . ?
O2 Ru2 C33 89.29(19) . . ?
O2 Ru2 C34 94.61(18) . . ?
O2 Ru2 C35 125.2(2) . . ?
O2 Ru2 C36 162.9(2) . . ?
N2 Ru2 Cl3 84.61(12) . . ?
N2 Ru2 C31 135.8(2) . . ?
N2 Ru2 C32 172.57(19) . . ?
N2 Ru2 C33 143.9(2) . . ?
N2 Ru2 C34 109.3(2) . . ?
N2 Ru2 C35 94.16(19) . . ?
N2 Ru2 C36 105.45(19) . . ?
C31 Ru2 Cl3 90.34(17) . . ?
C32 Ru2 Cl3 97.90(16) . . ?
C32 Ru2 C31 37.6(2) . . ?
C33 Ru2 Cl3 127.62(17) . . ?
C33 Ru2 C31 67.7(2) . . ?
C33 Ru2 C32 37.2(2) . . ?
C33 Ru2 C34 38.2(2) . . ?
C33 Ru2 C36 79.6(2) . . ?
C34 Ru2 Cl3 165.74(17) . . ?
C34 Ru2 C31 81.7(2) . . ?
C34 Ru2 C32 68.6(2) . . ?
C35 Ru2 Cl3 147.95(17) . . ?
C35 Ru2 C31 68.4(2) . . ?
C35 Ru2 C32 80.0(2) . . ?
C35 Ru2 C33 67.4(2) . . ?
C35 Ru2 C34 37.5(2) . . ?
C35 Ru2 C36 38.2(2) . . ?
C36 Ru2 Cl3 111.38(17) . . ?
C36 Ru2 C31 37.3(2) . . ?
C36 Ru2 C32 67.1(2) . . ?
C36 Ru2 C34 68.7(2) . . ?
C1 O1 Ru1 114.2(3) . . ?
C8 O2 Ru2 114.9(3) . . ?
N2 N1 Ru1 113.3(3) . . ?
C8 N1 Ru1 134.7(4) . . ?
C8 N1 N2 112.0(4) . . ?
N1 N2 Ru2 113.8(3) . . ?
C1 N2 Ru2 134.3(4) . . ?
C1 N2 N1 112.0(4) . . ?
O1 C1 N2 124.0(5) . . ?
O1 C1 C2 115.6(4) . . ?
N2 C1 C2 120.4(5) . . ?
C3 C2 C1 119.8(5) . . ?
C7 C2 C1 121.7(5) . . ?
C7 C2 C3 118.5(5) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(6) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119.2(6) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 Cl1 119.3(6) . . ?
C4 C5 C6 121.1(6) . . ?
C6 C5 Cl1 119.6(6) . . ?
C5 C6 H6 120.3 . . ?
C5 C6 C7 119.3(6) . . ?
C7 C6 H6 120.3 . . ?
C2 C7 C6 121.0(6) . . ?
C2 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
O2 C8 N1 123.0(5) . . ?
O2 C8 C9 117.0(4) . . ?
N1 C8 C9 120.0(5) . . ?
C10 C9 C8 119.6(5) . . ?
C10 C9 C14 118.3(5) . . ?
C14 C9 C8 121.9(5) . . ?
C9 C10 H10 119.2 . . ?
C9 C10 C11 121.7(6) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.0(6) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C15 120.7(6) . . ?
C13 C12 C11 116.6(5) . . ?
C13 C12 C15 122.7(6) . . ?
C12 C13 H13 119.0 . . ?
C14 C13 C12 122.1(6) . . ?
C14 C13 H13 119.0 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.0(5) . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C12 121.2(7) . . ?
C16 C15 C20 116.8(7) . . ?
C20 C15 C12 122.0(7) . . ?
C15 C16 H16 118.6 . . ?
C15 C16 C17 122.8(9) . . ?
C17 C16 H16 118.6 . . ?
C16 C17 H17 120.6 . . ?
C18 C17 C16 118.9(10) . . ?
C18 C17 H17 120.6 . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.3(9) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(9) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 C19 120.2(9) . . ?
C15 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 Ru1 70.4(4) . . ?
C22 C21 C27 121.6(8) . . ?
C26 C21 Ru1 71.1(4) . . ?
C26 C21 C22 117.9(6) . . ?
C26 C21 C27 120.5(8) . . ?
C27 C21 Ru1 128.5(6) . . ?
Ru1 C22 H22 131.9 . . ?
C21 C22 Ru1 71.7(4) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 Ru1 68.8(4) . . ?
C23 C22 C21 119.2(6) . . ?
C23 C22 H22 120.4 . . ?
Ru1 C23 H23 127.2 . . ?
C22 C23 Ru1 73.0(4) . . ?
C22 C23 H23 118.6 . . ?
C24 C23 Ru1 73.4(4) . . ?
C24 C23 C22 122.8(6) . . ?
C24 C23 H23 118.6 . . ?
C23 C24 Ru1 69.3(4) . . ?
C23 C24 C25 116.1(6) . . ?
C23 C24 C28 125.2(7) . . ?
C25 C24 Ru1 70.6(4) . . ?
C25 C24 C28 118.8(7) . . ?
C28 C24 Ru1 129.9(5) . . ?
Ru1 C25 H25 130.1 . . ?
C24 C25 Ru1 72.0(4) . . ?
C24 C25 H25 118.2 . . ?
C26 C25 Ru1 72.6(4) . . ?
C26 C25 C24 123.7(6) . . ?
C26 C25 H25 118.2 . . ?
Ru1 C26 H26 130.5 . . ?
C21 C26 Ru1 71.8(4) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 Ru1 70.4(4) . . ?
C25 C26 C21 120.2(6) . . ?
C25 C26 H26 119.9 . . ?
C21 C27 H27A 109.5 . . ?
C21 C27 H27B 109.5 . . ?
C21 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28 107.2 . . ?
C29 C28 C24 114.4(8) . . ?
C29 C28 H28 107.2 . . ?
C29 C28 C30 111.1(10) . . ?
C30 C28 C24 109.2(7) . . ?
C30 C28 H28 107.2 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Ru2 70.6(3) . . ?
C32 C31 C37 120.1(7) . . ?
C36 C31 Ru2 70.1(3) . . ?
C36 C31 C32 117.9(6) . . ?
C36 C31 C37 121.9(7) . . ?
C37 C31 Ru2 128.6(5) . . ?
Ru2 C32 H32 130.8 . . ?
C31 C32 Ru2 71.8(3) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 Ru2 70.4(3) . . ?
C33 C32 C31 120.4(5) . . ?
C33 C32 H32 119.8 . . ?
Ru2 C33 H33 129.8 . . ?
C32 C33 Ru2 72.4(3) . . ?
C32 C33 H33 118.7 . . ?
C32 C33 C34 122.5(5) . . ?
C34 C33 Ru2 71.7(3) . . ?
C34 C33 H33 118.7 . . ?
C33 C34 Ru2 70.1(3) . . ?
C33 C34 C38 119.9(6) . . ?
C35 C34 Ru2 69.8(3) . . ?
C35 C34 C33 116.2(5) . . ?
C35 C34 C38 123.9(6) . . ?
C38 C34 Ru2 130.2(5) . . ?
Ru2 C35 H35 129.0 . . ?
C34 C35 Ru2 72.6(3) . . ?
C34 C35 H35 119.0 . . ?
C34 C35 C36 122.0(5) . . ?
C36 C35 Ru2 71.8(3) . . ?
C36 C35 H35 119.0 . . ?
Ru2 C36 H36 130.5 . . ?
C31 C36 Ru2 72.6(3) . . ?
C31 C36 C35 120.9(5) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 Ru2 70.0(3) . . ?
C35 C36 H36 119.6 . . ?
C31 C37 H37A 109.5 . . ?
C31 C37 H37B 109.5 . . ?
C31 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38 105.3 . . ?
C34 C38 H38A 102.8 . . ?
C39 C38 C34 115.9(8) . . ?
C39 C38 H38 105.3 . . ?
C39 C38 H38A 102.8 . . ?
C39 C38 C40A 113.2(13) . . ?
C40 C38 C34 113.7(11) . . ?
C40 C38 H38 105.3 . . ?
C40 C38 C39 110.2(13) . . ?
C40A C38 C34 116.7(10) . . ?
C40A C38 H38A 102.8 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C40A H40D 109.5 . . ?
C38 C40A H40E 109.5 . . ?
C38 C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 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 O1 C1 N2 2.8(7) . . . . ?
Ru1 O1 C1 C2 -174.6(3) . . . . ?
Ru1 N1 N2 Ru2 178.83(17) . . . . ?
Ru1 N1 N2 C1 -0.1(5) . . . . ?
Ru1 N1 C8 O2 -176.1(4) . . . . ?
Ru1 N1 C8 C9 3.7(8) . . . . ?
Ru1 C21 C22 C23 51.6(6) . . . . ?
Ru1 C21 C26 C25 -53.2(6) . . . . ?
Ru1 C22 C23 C24 56.4(6) . . . . ?
Ru1 C23 C24 C25 54.5(6) . . . . ?
Ru1 C23 C24 C28 -124.9(7) . . . . ?
Ru1 C24 C25 C26 53.5(6) . . . . ?
Ru1 C24 C28 C29 -69.0(11) . . . . ?
Ru1 C24 C28 C30 165.7(9) . . . . ?
Ru1 C25 C26 C21 53.8(6) . . . . ?
Ru2 O2 C8 N1 -4.4(6) . . . . ?
Ru2 O2 C8 C9 175.8(4) . . . . ?
Ru2 N2 C1 O1 179.6(4) . . . . ?
Ru2 N2 C1 C2 -3.2(8) . . . . ?
Ru2 C31 C32 C33 52.9(5) . . . . ?
Ru2 C31 C36 C35 -52.8(5) . . . . ?
Ru2 C32 C33 C34 53.7(5) . . . . ?
Ru2 C33 C34 C35 54.0(5) . . . . ?
Ru2 C33 C34 C38 -125.7(6) . . . . ?
Ru2 C34 C35 C36 54.5(5) . . . . ?
Ru2 C34 C38 C39 69.1(11) . . . . ?
Ru2 C34 C38 C40 -161.7(14) . . . . ?
Ru2 C34 C38 C40A -68.1(16) . . . . ?
Ru2 C35 C36 C31 54.0(5) . . . . ?
Cl1 C5 C6 C7 179.1(6) . . . . ?
O1 C1 C2 C3 -67.7(7) . . . . ?
O1 C1 C2 C7 109.1(6) . . . . ?
O2 C8 C9 C10 55.3(7) . . . . ?
O2 C8 C9 C14 -119.0(6) . . . . ?
N1 N2 C1 O1 -1.8(7) . . . . ?
N1 N2 C1 C2 175.4(4) . . . . ?
N1 C8 C9 C10 -124.5(6) . . . . ?
N1 C8 C9 C14 61.2(7) . . . . ?
N2 N1 C8 O2 3.5(7) . . . . ?
N2 N1 C8 C9 -176.7(4) . . . . ?
N2 C1 C2 C3 114.8(6) . . . . ?
N2 C1 C2 C7 -68.4(8) . . . . ?
C1 C2 C3 C4 178.5(6) . . . . ?
C1 C2 C7 C6 -176.4(6) . . . . ?
C2 C3 C4 C5 -3.0(11) . . . . ?
C3 C2 C7 C6 0.5(10) . . . . ?
C3 C4 C5 Cl1 -177.1(6) . . . . ?
C3 C4 C5 C6 2.4(12) . . . . ?
C4 C5 C6 C7 -0.4(12) . . . . ?
C5 C6 C7 C2 -1.1(11) . . . . ?
C7 C2 C3 C4 1.6(10) . . . . ?
C8 N1 N2 Ru2 -0.9(5) . . . . ?
C8 N1 N2 C1 -179.8(4) . . . . ?
C8 C9 C10 C11 179.3(6) . . . . ?
C8 C9 C14 C13 180.0(5) . . . . ?
C9 C10 C11 C12 2.1(11) . . . . ?
C10 C9 C14 C13 5.6(9) . . . . ?
C10 C11 C12 C13 2.5(11) . . . . ?
C10 C11 C12 C15 -177.4(7) . . . . ?
C11 C12 C13 C14 -3.0(10) . . . . ?
C11 C12 C15 C16 27.8(11) . . . . ?
C11 C12 C15 C20 -150.0(8) . . . . ?
C12 C13 C14 C9 -1.0(10) . . . . ?
C12 C15 C16 C17 -177.4(9) . . . . ?
C12 C15 C20 C19 177.1(8) . . . . ?
C13 C12 C15 C16 -152.0(8) . . . . ?
C13 C12 C15 C20 30.1(11) . . . . ?
C14 C9 C10 C11 -6.2(10) . . . . ?
C15 C12 C13 C14 176.8(6) . . . . ?
C15 C16 C17 C18 -0.9(17) . . . . ?
C16 C15 C20 C19 -0.8(13) . . . . ?
C16 C17 C18 C19 1.4(18) . . . . ?
C17 C18 C19 C20 -1.7(17) . . . . ?
C18 C19 C20 C15 1.4(15) . . . . ?
C20 C15 C16 C17 0.6(14) . . . . ?
C21 C22 C23 Ru1 -52.9(6) . . . . ?
C21 C22 C23 C24 3.5(11) . . . . ?
C22 C21 C26 Ru1 54.4(6) . . . . ?
C22 C21 C26 C25 1.2(11) . . . . ?
C22 C23 C24 Ru1 -56.3(6) . . . . ?
C22 C23 C24 C25 -1.7(10) . . . . ?
C22 C23 C24 C28 178.8(7) . . . . ?
C23 C24 C25 Ru1 -53.9(6) . . . . ?
C23 C24 C25 C26 -0.4(10) . . . . ?
C23 C24 C28 C29 22.5(12) . . . . ?
C23 C24 C28 C30 -102.8(12) . . . . ?
C24 C25 C26 Ru1 -53.2(6) . . . . ?
C24 C25 C26 C21 0.6(11) . . . . ?
C25 C24 C28 C29 -157.0(8) . . . . ?
C25 C24 C28 C30 77.7(12) . . . . ?
C26 C21 C22 Ru1 -54.7(6) . . . . ?
C26 C21 C22 C23 -3.1(10) . . . . ?
C27 C21 C22 Ru1 123.9(7) . . . . ?
C27 C21 C22 C23 175.5(7) . . . . ?
C27 C21 C26 Ru1 -124.2(7) . . . . ?
C27 C21 C26 C25 -177.4(7) . . . . ?
C28 C24 C25 Ru1 125.7(6) . . . . ?
C28 C24 C25 C26 179.2(7) . . . . ?
C31 C32 C33 Ru2 -53.5(5) . . . . ?
C31 C32 C33 C34 0.1(9) . . . . ?
C32 C31 C36 Ru2 53.8(5) . . . . ?
C32 C31 C36 C35 1.0(9) . . . . ?
C32 C33 C34 Ru2 -54.0(5) . . . . ?
C32 C33 C34 C35 0.0(9) . . . . ?
C32 C33 C34 C38 -179.7(6) . . . . ?
C33 C34 C35 Ru2 -54.1(5) . . . . ?
C33 C34 C35 C36 0.3(8) . . . . ?
C33 C34 C38 C39 157.5(9) . . . . ?
C33 C34 C38 C40 -73.3(16) . . . . ?
C33 C34 C38 C40A 20.3(16) . . . . ?
C34 C35 C36 Ru2 -54.8(5) . . . . ?
C34 C35 C36 C31 -0.9(9) . . . . ?
C35 C34 C38 C39 -22.2(13) . . . . ?
C35 C34 C38 C40 107.0(16) . . . . ?
C35 C34 C38 C40A -159.4(14) . . . . ?
C36 C31 C32 Ru2 -53.5(5) . . . . ?
C36 C31 C32 C33 -0.6(9) . . . . ?
C37 C31 C32 Ru2 124.1(6) . . . . ?
C37 C31 C32 C33 177.0(6) . . . . ?
C37 C31 C36 Ru2 -123.8(6) . . . . ?
C37 C31 C36 C35 -176.6(6) . . . . ?
C38 C34 C35 Ru2 125.6(7) . . . . ?
C38 C34 C35 C36 -180.0(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 0.500 -0.065 0.000 210.1 6.9 '2 dichloromethane'

_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 1.387
_oxdiff_exptl_absorpt_empirical_full_min 0.782
