# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_ruprime24d
_database_code_depnum_ccdc_archive 'CCDC 2235327'
loop_
_audit_author_name
_audit_author_address
'Miguel Cortijo'
;Complutense University of Madrid
Spain
;
_audit_update_record             
;
2023-01-10 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2022-01-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H50 Cl3 N6 O9 Ru2'
_chemical_formula_sum            'C53 H50 Cl3 N6 O9 Ru2'
_chemical_formula_weight         1223.48
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   11.869(2)
_cell_length_b                   15.027(3)
_cell_length_c                   16.745(3)
_cell_angle_alpha                101.077(4)
_cell_angle_beta                 107.283(3)
_cell_angle_gamma                106.402(3)
_cell_volume                     2608.4(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9263
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      74.607
_cell_measurement_theta_min      2.824
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.74560
_exptl_absorpt_correction_T_min  0.544633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.0603 before and 0.0459 after correction.
The Ratio of minimum to maximum transmission is 0.5446.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1242
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.1203
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22965
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         1.336
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5095
_reflns_number_total             9497
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.957
_refine_diff_density_min         -0.612
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     664
_refine_ls_number_reflns         9497
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1270
_refine_ls_R_factor_gt           0.0547
_refine_ls_restrained_S_all      0.971
_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)+(0.0625P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1498
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C39(H39), C45(H45), C44(H44), C24(H24), C12(H12), C36(H36), C15(H15), C8(H8),
 C48(H48), C11(H11), C9(H9), C33(H33), C30(H30), C49(H49), C52(H52), C18(H18),
 C51(H51), C7(H7), C37(H37), C21(H21), C34(H34), C19(H19), C42(H42), C22(H22),
 C41(H41), C27(H27), C29(H29), C14(H14), C26(H26), C5(H5)
2.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C46(H46A,H46B,H46C), C31(H31A,H31B,H31C), C53(H53A,H53B,
 H53C), C23(H23A,H23B,H23C), C38(H38A,H38B,H38C)
;
_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 0.73453(5) 0.67964(4) 0.35048(3) 0.03037(17) Uani 1 1 d . . . . .
Ru1 Ru 0.59530(5) 0.68516(4) 0.22158(3) 0.02995(17) Uani 1 1 d . . . . .
Cl1 Cl 0.45590(16) 0.67648(12) 0.07949(11) 0.0430(5) Uani 1 1 d . . . . .
Cl2 Cl 0.9125(2) 0.34088(17) 0.31255(16) 0.0757(7) Uani 1 1 d . . . . .
Cl3 Cl 0.4118(2) 0.17281(19) 0.23490(19) 0.1014(9) Uani 1 1 d . . . . .
O1 O 0.6768(4) 0.6043(3) 0.1543(3) 0.0373(11) Uani 1 1 d . . . . .
O2 O 0.8174(4) 0.6083(3) 0.2808(3) 0.0377(11) Uani 1 1 d . . . . .
O3 O 0.8358(5) 0.4434(3) 0.1895(3) 0.0508(13) Uani 1 1 d . . . . .
N6 N 0.6162(5) 0.5462(4) 0.3383(3) 0.0329(13) Uani 1 1 d . . . . .
N5 N 0.4672(5) 0.5531(4) 0.2167(3) 0.0349(13) Uani 1 1 d . . . . .
N1 N 0.7339(5) 0.8146(4) 0.2328(3) 0.0374(14) Uani 1 1 d . . . . .
N3 N 0.5223(5) 0.7621(4) 0.2948(3) 0.0388(14) Uani 1 1 d . . . . .
O8 O -0.0234(5) 0.3360(4) -0.0264(3) 0.0650(16) Uani 1 1 d . . . . .
N4 N 0.6550(5) 0.7468(4) 0.4204(3) 0.0385(14) Uani 1 1 d . . . . .
N2 N 0.8666(5) 0.8083(4) 0.3630(4) 0.0412(15) Uani 1 1 d . . . . .
O9 O 0.7694(5) 0.3632(4) 0.5886(4) 0.0771(19) Uani 1 1 d . . . . .
O5 O 1.3507(5) 0.9015(4) 0.6091(3) 0.0743(17) Uani 1 1 d . . . . .
O6 O 0.1089(6) 0.8777(4) 0.1736(4) 0.0716(17) Uani 1 1 d . . . . .
O4 O 0.6800(6) 1.0495(4) 0.0125(3) 0.0666(17) Uani 1 1 d . . . . .
C47 C 0.6509(6) 0.4940(4) 0.3980(4) 0.0280(15) Uani 1 1 d . . . . .
O7 O 0.8962(6) 0.8684(4) 0.7853(3) 0.083(2) Uani 1 1 d . . . . .
C39 C 0.5038(6) 0.5084(4) 0.2748(4) 0.0355(17) Uani 1 1 d . . . . .
H39 H 0.448310 0.448369 0.270608 0.043 Uiso 1 1 calc R U . . .
C45 C 0.3171(6) 0.4434(5) 0.0706(4) 0.0386(17) Uani 1 1 d . . . . .
H45 H 0.384449 0.442976 0.053244 0.046 Uiso 1 1 calc R U . . .
C3 C 0.7346(7) 0.3799(5) 0.1968(4) 0.0425(18) Uani 1 1 d . . . . .
C44 C 0.1945(6) 0.3873(4) 0.0140(4) 0.0396(17) Uani 1 1 d . . . . .
H44 H 0.179668 0.346419 -0.040334 0.048 Uiso 1 1 calc R U . . .
C10 C 0.7202(6) 0.8761(5) 0.1764(4) 0.0348(16) Uani 1 1 d . . . . .
C24 C 0.5657(7) 0.7778(5) 0.3798(4) 0.0397(18) Uani 1 1 d . . . . .
H24 H 0.532852 0.812123 0.413293 0.048 Uiso 1 1 calc R U . . .
C12 C 0.7012(7) 0.9075(5) 0.0399(5) 0.048(2) Uani 1 1 d . . . . .
H12 H 0.697511 0.887763 -0.017278 0.058 Uiso 1 1 calc R U . . .
C17 C 0.9925(7) 0.8379(4) 0.4249(4) 0.0375(17) Uani 1 1 d . . . . .
C43 C 0.0937(6) 0.3916(5) 0.0378(5) 0.0414(18) Uani 1 1 d . . . . .
C25 C 0.4161(7) 0.7918(5) 0.2606(4) 0.0375(17) Uani 1 1 d . . . . .
C32 C 0.7087(6) 0.7768(5) 0.5144(4) 0.0338(16) Uani 1 1 d . . . . .
C2 C 0.8111(7) 0.5148(5) 0.1468(5) 0.0473(19) Uani 1 1 d . . . . .
H2A H 0.748173 0.481661 0.087944 0.057 Uiso 1 1 calc R U . . .
H2B H 0.888152 0.553419 0.142118 0.057 Uiso 1 1 calc R U . . .
C36 C 0.7939(7) 0.7361(5) 0.6475(4) 0.049(2) Uani 1 1 d . . . . .
H36 H 0.808121 0.690124 0.675200 0.059 Uiso 1 1 calc R U . . .
C40 C 0.3398(6) 0.5008(4) 0.1541(4) 0.0347(16) Uani 1 1 d . . . . .
C15 C 0.7196(7) 0.9663(5) 0.2079(5) 0.0481(19) Uani 1 1 d . . . . .
H15 H 0.728564 0.987728 0.266139 0.058 Uiso 1 1 calc R U . . .
C8 C 0.6079(7) 0.3636(5) 0.1491(5) 0.051(2) Uani 1 1 d . . . . .
H8 H 0.589669 0.397263 0.108794 0.061 Uiso 1 1 calc R U . . .
C48 C 0.7783(6) 0.5023(5) 0.4319(4) 0.0417(18) Uani 1 1 d . . . . .
H48 H 0.835516 0.536678 0.410923 0.050 Uiso 1 1 calc R U . . .
C11 C 0.7100(7) 0.8458(5) 0.0902(5) 0.049(2) Uani 1 1 d . . . . .
H11 H 0.709121 0.784135 0.066655 0.059 Uiso 1 1 calc R U . . .
C9 C 0.8417(7) 0.8502(5) 0.3006(4) 0.0423(18) Uani 1 1 d . . . . .
H9 H 0.903034 0.907378 0.304881 0.051 Uiso 1 1 calc R U . . .
C33 C 0.7478(7) 0.8713(5) 0.5646(5) 0.052(2) Uani 1 1 d . . . . .
H33 H 0.733286 0.917611 0.537434 0.063 Uiso 1 1 calc R U . . .
C1 C 0.7641(6) 0.5810(5) 0.1970(4) 0.0353(16) Uani 1 1 d . . . . .
C30 C 0.4209(7) 0.8548(5) 0.2114(5) 0.049(2) Uani 1 1 d . . . . .
H30 H 0.492199 0.877251 0.197742 0.059 Uiso 1 1 calc R U . . .
C35 C 0.8344(7) 0.8328(6) 0.6957(5) 0.050(2) Uani 1 1 d . . . . .
C28 C 0.2130(8) 0.8513(5) 0.1987(5) 0.048(2) Uani 1 1 d . . . . .
C4 C 0.7577(8) 0.3267(5) 0.2547(5) 0.051(2) Uani 1 1 d . . . . .
C50 C 0.7376(7) 0.4059(5) 0.5248(5) 0.047(2) Uani 1 1 d . . . . .
C49 C 0.8198(7) 0.4603(5) 0.4955(5) 0.0462(19) Uani 1 1 d . . . . .
H49 H 0.905199 0.469435 0.518849 0.055 Uiso 1 1 calc R U . . .
C52 C 0.5699(6) 0.4390(5) 0.4286(5) 0.0468(19) Uani 1 1 d . . . . .
H52 H 0.484879 0.431357 0.407261 0.056 Uiso 1 1 calc R U . . .
C18 C 1.0952(7) 0.8663(5) 0.4025(5) 0.051(2) Uani 1 1 d . . . . .
H18 H 1.083830 0.871021 0.346235 0.061 Uiso 1 1 calc R U . . .
C13 C 0.6976(7) 0.9969(5) 0.0715(5) 0.0451(19) Uani 1 1 d . . . . .
C51 C 0.6109(7) 0.3949(6) 0.4898(5) 0.061(2) Uani 1 1 d . . . . .
H51 H 0.553084 0.356963 0.508259 0.073 Uiso 1 1 calc R U . . .
C7 C 0.5109(8) 0.3000(5) 0.1602(5) 0.056(2) Uani 1 1 d . . . . .
H7 H 0.427733 0.290248 0.127197 0.068 Uiso 1 1 calc R U . . .
C37 C 0.7316(7) 0.7089(5) 0.5573(4) 0.0434(18) Uani 1 1 d . . . . .
H37 H 0.704659 0.644082 0.524621 0.052 Uiso 1 1 calc R U . . .
C21 C 1.1326(7) 0.8512(5) 0.5676(5) 0.057(2) Uani 1 1 d . . . . .
H21 H 1.144559 0.844887 0.623422 0.068 Uiso 1 1 calc R U . . .
C34 C 0.8089(8) 0.8996(5) 0.6555(5) 0.061(2) Uani 1 1 d . . . . .
H34 H 0.832148 0.963711 0.688591 0.073 Uiso 1 1 calc R U . . .
C19 C 1.2165(7) 0.8884(5) 0.4616(5) 0.050(2) Uani 1 1 d . . . . .
H19 H 1.285249 0.907522 0.444727 0.060 Uiso 1 1 calc R U . . .
C42 C 0.1135(7) 0.4457(5) 0.1205(5) 0.054(2) Uani 1 1 d . . . . .
H42 H 0.045927 0.446498 0.137555 0.065 Uiso 1 1 calc R U . . .
C22 C 1.0123(7) 0.8297(5) 0.5088(5) 0.054(2) Uani 1 1 d . . . . .
H22 H 0.943415 0.809356 0.525420 0.065 Uiso 1 1 calc R U . . .
C41 C 0.2386(7) 0.4995(5) 0.1781(5) 0.0477(19) Uani 1 1 d . . . . .
H41 H 0.253589 0.535506 0.234482 0.057 Uiso 1 1 calc R U . . .
C27 C 0.2081(8) 0.7854(6) 0.2450(5) 0.060(2) Uani 1 1 d . . . . .
H27 H 0.134252 0.759094 0.254721 0.072 Uiso 1 1 calc R U . . .
C20 C 1.2355(7) 0.8822(5) 0.5440(5) 0.0461(19) Uani 1 1 d . . . . .
C29 C 0.3204(8) 0.8855(5) 0.1817(5) 0.055(2) Uani 1 1 d . . . . .
H29 H 0.326253 0.929781 0.149892 0.066 Uiso 1 1 calc R U . . .
C16 C 0.6582(9) 1.1364(5) 0.0398(5) 0.077(3) Uani 1 1 d . . . . .
H16A H 0.632106 1.159627 -0.009601 0.116 Uiso 1 1 calc R U . . .
H16B H 0.734745 1.184772 0.083901 0.116 Uiso 1 1 calc R U . . .
H16C H 0.592969 1.123553 0.063479 0.116 Uiso 1 1 calc R U . . .
C14 C 0.7061(8) 1.0279(5) 0.1562(5) 0.056(2) Uani 1 1 d . . . . .
H14 H 0.702955 1.088420 0.178578 0.068 Uiso 1 1 calc R U . . .
C26 C 0.3081(8) 0.7569(6) 0.2775(5) 0.058(2) Uani 1 1 d . . . . .
H26 H 0.302789 0.714066 0.310784 0.070 Uiso 1 1 calc R U . . .
C5 C 0.6594(8) 0.2631(5) 0.2670(5) 0.056(2) Uani 1 1 d . . . . .
H5 H 0.676154 0.228780 0.306976 0.068 Uiso 1 1 calc R U . . .
C6 C 0.5347(8) 0.2506(5) 0.2191(5) 0.060(2) Uani 1 1 d . . . . .
C46 C -0.1287(7) 0.3502(5) -0.0116(5) 0.064(2) Uani 1 1 d . . . . .
H46A H -0.203078 0.316435 -0.064002 0.097 Uiso 1 1 calc R U . . .
H46B H -0.114631 0.418412 0.003998 0.097 Uiso 1 1 calc R U . . .
H46C H -0.140329 0.325355 0.035254 0.097 Uiso 1 1 calc R U . . .
C31 C 0.0916(9) 0.9181(6) 0.1044(6) 0.083(3) Uani 1 1 d . . . . .
H31A H 0.099124 0.877787 0.055811 0.124 Uiso 1 1 calc R U . . .
H31B H 0.154691 0.982082 0.123130 0.124 Uiso 1 1 calc R U . . .
H31C H 0.008925 0.922193 0.086655 0.124 Uiso 1 1 calc R U . . .
C53 C 0.9005(7) 0.3774(6) 0.6267(6) 0.084(3) Uani 1 1 d . . . . .
H53A H 0.930179 0.358386 0.581094 0.126 Uiso 1 1 calc R U . . .
H53B H 0.911202 0.338638 0.665666 0.126 Uiso 1 1 calc R U . . .
H53C H 0.948042 0.444847 0.658817 0.126 Uiso 1 1 calc R U . . .
C23 C 1.4603(8) 0.9284(8) 0.5871(6) 0.098(4) Uani 1 1 d . . . . .
H23A H 1.453466 0.875917 0.540705 0.148 Uiso 1 1 calc R U . . .
H23B H 1.534375 0.941926 0.637629 0.148 Uiso 1 1 calc R U . . .
H23C H 1.466763 0.985298 0.568057 0.148 Uiso 1 1 calc R U . . .
C38 C 0.9226(11) 0.8026(8) 0.8322(6) 0.126(5) Uani 1 1 d . . . . .
H38A H 0.975322 0.773691 0.811638 0.189 Uiso 1 1 calc R U . . .
H38B H 0.844698 0.752499 0.822866 0.189 Uiso 1 1 calc R U . . .
H38C H 0.965585 0.836997 0.893623 0.189 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 Ru1 2.3287(8) . ?
Ru2 O2 2.067(4) . ?
Ru2 N6 2.029(5) . ?
Ru2 N4 2.005(5) . ?
Ru2 N2 2.044(5) . ?
Ru1 Cl1 2.4157(17) . ?
Ru1 O1 2.114(4) . ?
Ru1 N5 2.101(5) . ?
Ru1 N1 2.096(5) . ?
Ru1 N3 2.060(5) . ?
Cl2 C4 1.732(8) . ?
Cl3 C6 1.717(8) . ?
O1 C1 1.253(7) . ?
O2 C1 1.282(7) . ?
O3 C3 1.361(8) . ?
O3 C2 1.448(7) . ?
N6 C47 1.423(7) . ?
N6 C39 1.315(7) . ?
N5 C39 1.324(7) . ?
N5 C40 1.440(8) . ?
N1 C10 1.450(7) . ?
N1 C9 1.314(8) . ?
N3 C24 1.309(8) . ?
N3 C25 1.449(8) . ?
O8 C43 1.377(8) . ?
O8 C46 1.409(8) . ?
N4 C24 1.332(8) . ?
N4 C32 1.435(7) . ?
N2 C17 1.426(8) . ?
N2 C9 1.323(8) . ?
O9 C50 1.362(8) . ?
O9 C53 1.429(8) . ?
O5 C20 1.382(8) . ?
O5 C23 1.427(9) . ?
O6 C28 1.376(8) . ?
O6 C31 1.398(9) . ?
O4 C13 1.383(7) . ?
O4 C16 1.418(8) . ?
C47 C48 1.408(8) . ?
C47 C52 1.370(8) . ?
O7 C35 1.375(8) . ?
O7 C38 1.421(10) . ?
C39 H39 0.9300 . ?
C45 H45 0.9300 . ?
C45 C44 1.381(8) . ?
C45 C40 1.397(8) . ?
C3 C8 1.401(9) . ?
C3 C4 1.384(9) . ?
C44 H44 0.9300 . ?
C44 C43 1.383(9) . ?
C10 C15 1.360(8) . ?
C10 C11 1.384(9) . ?
C24 H24 0.9300 . ?
C12 H12 0.9300 . ?
C12 C11 1.372(9) . ?
C12 C13 1.364(9) . ?
C17 C18 1.360(9) . ?
C17 C22 1.390(9) . ?
C43 C42 1.378(9) . ?
C25 C30 1.369(9) . ?
C25 C26 1.376(9) . ?
C32 C33 1.370(8) . ?
C32 C37 1.397(9) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C1 1.509(9) . ?
C36 H36 0.9300 . ?
C36 C35 1.384(9) . ?
C36 C37 1.387(9) . ?
C40 C41 1.372(9) . ?
C15 H15 0.9300 . ?
C15 C14 1.393(9) . ?
C8 H8 0.9300 . ?
C8 C7 1.359(10) . ?
C48 H48 0.9300 . ?
C48 C49 1.377(9) . ?
C11 H11 0.9300 . ?
C9 H9 0.9300 . ?
C33 H33 0.9300 . ?
C33 C34 1.395(9) . ?
C30 H30 0.9300 . ?
C30 C29 1.389(9) . ?
C35 C34 1.366(9) . ?
C28 C27 1.369(10) . ?
C28 C29 1.367(10) . ?
C4 C5 1.381(10) . ?
C50 C49 1.359(9) . ?
C50 C51 1.389(9) . ?
C49 H49 0.9300 . ?
C52 H52 0.9300 . ?
C52 C51 1.368(9) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(9) . ?
C13 C14 1.369(9) . ?
C51 H51 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.355(10) . ?
C37 H37 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.377(9) . ?
C21 C20 1.379(10) . ?
C34 H34 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.356(9) . ?
C42 H42 0.9300 . ?
C42 C41 1.400(9) . ?
C22 H22 0.9300 . ?
C41 H41 0.9300 . ?
C27 H27 0.9300 . ?
C27 C26 1.372(9) . ?
C29 H29 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C14 H14 0.9300 . ?
C26 H26 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.396(10) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ru2 Ru1 91.05(12) . . ?
N6 Ru2 Ru1 91.66(14) . . ?
N6 Ru2 O2 86.99(19) . . ?
N6 Ru2 N2 174.5(2) . . ?
N4 Ru2 Ru1 90.25(15) . . ?
N4 Ru2 O2 178.45(18) . . ?
N4 Ru2 N6 92.1(2) . . ?
N4 Ru2 N2 92.5(2) . . ?
N2 Ru2 Ru1 91.33(15) . . ?
N2 Ru2 O2 88.4(2) . . ?
Ru2 Ru1 Cl1 173.69(5) . . ?
O1 Ru1 Ru2 86.78(12) . . ?
O1 Ru1 Cl1 87.16(12) . . ?
N5 Ru1 Ru2 87.63(14) . . ?
N5 Ru1 Cl1 90.43(14) . . ?
N5 Ru1 O1 88.47(18) . . ?
N1 Ru1 Ru2 88.32(14) . . ?
N1 Ru1 Cl1 93.45(15) . . ?
N1 Ru1 O1 89.87(19) . . ?
N1 Ru1 N5 175.71(19) . . ?
N3 Ru1 Ru2 89.38(15) . . ?
N3 Ru1 Cl1 96.65(15) . . ?
N3 Ru1 O1 176.10(18) . . ?
N3 Ru1 N5 90.6(2) . . ?
N3 Ru1 N1 90.7(2) . . ?
C1 O1 Ru1 119.5(4) . . ?
C1 O2 Ru2 116.6(4) . . ?
C3 O3 C2 116.4(5) . . ?
C47 N6 Ru2 121.5(4) . . ?
C39 N6 Ru2 119.0(4) . . ?
C39 N6 C47 119.4(5) . . ?
C39 N5 Ru1 119.2(4) . . ?
C39 N5 C40 113.3(5) . . ?
C40 N5 Ru1 127.4(4) . . ?
C10 N1 Ru1 126.4(4) . . ?
C9 N1 Ru1 119.1(4) . . ?
C9 N1 C10 114.3(5) . . ?
C24 N3 Ru1 118.0(5) . . ?
C24 N3 C25 115.4(6) . . ?
C25 N3 Ru1 126.1(4) . . ?
C43 O8 C46 116.6(6) . . ?
C24 N4 Ru2 119.3(5) . . ?
C24 N4 C32 119.5(6) . . ?
C32 N4 Ru2 120.2(4) . . ?
C17 N2 Ru2 119.4(4) . . ?
C9 N2 Ru2 118.4(5) . . ?
C9 N2 C17 120.4(6) . . ?
C50 O9 C53 116.2(6) . . ?
C20 O5 C23 117.0(6) . . ?
C28 O6 C31 117.9(7) . . ?
C13 O4 C16 117.4(6) . . ?
C48 C47 N6 118.5(6) . . ?
C52 C47 N6 124.7(6) . . ?
C52 C47 C48 116.8(6) . . ?
C35 O7 C38 118.4(7) . . ?
N6 C39 N5 122.0(6) . . ?
N6 C39 H39 119.0 . . ?
N5 C39 H39 119.0 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C40 119.9(7) . . ?
C40 C45 H45 120.0 . . ?
O3 C3 C8 124.6(6) . . ?
O3 C3 C4 118.1(7) . . ?
C4 C3 C8 117.4(7) . . ?
C45 C44 H44 119.9 . . ?
C45 C44 C43 120.2(6) . . ?
C43 C44 H44 119.9 . . ?
C15 C10 N1 120.3(6) . . ?
C15 C10 C11 118.4(6) . . ?
C11 C10 N1 121.3(6) . . ?
N3 C24 N4 122.8(6) . . ?
N3 C24 H24 118.6 . . ?
N4 C24 H24 118.6 . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
C13 C12 C11 121.7(7) . . ?
C18 C17 N2 122.0(6) . . ?
C18 C17 C22 118.0(7) . . ?
C22 C17 N2 119.8(7) . . ?
O8 C43 C44 114.2(6) . . ?
O8 C43 C42 124.8(7) . . ?
C42 C43 C44 120.9(7) . . ?
C30 C25 N3 121.2(7) . . ?
C30 C25 C26 118.7(7) . . ?
C26 C25 N3 120.1(6) . . ?
C33 C32 N4 122.8(6) . . ?
C33 C32 C37 117.8(6) . . ?
C37 C32 N4 119.2(6) . . ?
O3 C2 H2A 109.3 . . ?
O3 C2 H2B 109.3 . . ?
O3 C2 C1 111.4(5) . . ?
H2A C2 H2B 108.0 . . ?
C1 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
C35 C36 H36 120.4 . . ?
C35 C36 C37 119.1(7) . . ?
C37 C36 H36 120.4 . . ?
C45 C40 N5 120.7(6) . . ?
C41 C40 N5 120.4(6) . . ?
C41 C40 C45 118.7(6) . . ?
C10 C15 H15 118.8 . . ?
C10 C15 C14 122.5(7) . . ?
C14 C15 H15 118.8 . . ?
C3 C8 H8 119.1 . . ?
C7 C8 C3 121.8(7) . . ?
C7 C8 H8 119.1 . . ?
C47 C48 H48 119.4 . . ?
C49 C48 C47 121.2(6) . . ?
C49 C48 H48 119.4 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.4(7) . . ?
C12 C11 H11 120.3 . . ?
N1 C9 N2 122.8(6) . . ?
N1 C9 H9 118.6 . . ?
N2 C9 H9 118.6 . . ?
C32 C33 H33 119.2 . . ?
C32 C33 C34 121.5(7) . . ?
C34 C33 H33 119.2 . . ?
O1 C1 O2 125.4(6) . . ?
O1 C1 C2 118.1(6) . . ?
O2 C1 C2 116.5(6) . . ?
C25 C30 H30 119.7 . . ?
C25 C30 C29 120.6(7) . . ?
C29 C30 H30 119.7 . . ?
O7 C35 C36 124.4(7) . . ?
C34 C35 O7 115.1(7) . . ?
C34 C35 C36 120.4(7) . . ?
C27 C28 O6 116.6(7) . . ?
C29 C28 O6 125.8(7) . . ?
C29 C28 C27 117.6(7) . . ?
C3 C4 Cl2 119.3(7) . . ?
C5 C4 Cl2 119.8(6) . . ?
C5 C4 C3 120.9(7) . . ?
O9 C50 C51 116.3(6) . . ?
C49 C50 O9 125.4(7) . . ?
C49 C50 C51 118.3(6) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 C48 120.9(7) . . ?
C50 C49 H49 119.5 . . ?
C47 C52 H52 119.1 . . ?
C51 C52 C47 121.7(7) . . ?
C51 C52 H52 119.1 . . ?
C17 C18 H18 119.3 . . ?
C17 C18 C19 121.3(7) . . ?
C19 C18 H18 119.3 . . ?
C12 C13 O4 116.2(6) . . ?
C12 C13 C14 119.8(6) . . ?
C14 C13 O4 123.9(6) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.1(7) . . ?
C52 C51 H51 119.5 . . ?
C8 C7 H7 119.8 . . ?
C6 C7 C8 120.4(8) . . ?
C6 C7 H7 119.8 . . ?
C32 C37 H37 119.3 . . ?
C36 C37 C32 121.4(6) . . ?
C36 C37 H37 119.3 . . ?
C22 C21 H21 119.9 . . ?
C22 C21 C20 120.1(7) . . ?
C20 C21 H21 119.9 . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.7(7) . . ?
C35 C34 H34 120.2 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(7) . . ?
C20 C19 H19 119.8 . . ?
C43 C42 H42 121.0 . . ?
C43 C42 C41 117.9(7) . . ?
C41 C42 H42 121.0 . . ?
C17 C22 H22 119.6 . . ?
C21 C22 C17 120.7(7) . . ?
C21 C22 H22 119.6 . . ?
C40 C41 C42 122.1(7) . . ?
C40 C41 H41 118.9 . . ?
C42 C41 H41 118.9 . . ?
C28 C27 H27 118.8 . . ?
C28 C27 C26 122.3(8) . . ?
C26 C27 H27 118.8 . . ?
C21 C20 O5 114.3(7) . . ?
C19 C20 O5 126.4(7) . . ?
C19 C20 C21 119.3(7) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 C30 120.9(7) . . ?
C28 C29 H29 119.6 . . ?
O4 C16 H16A 109.5 . . ?
O4 C16 H16B 109.5 . . ?
O4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C14 H14 120.9 . . ?
C13 C14 C15 118.1(7) . . ?
C13 C14 H14 120.9 . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.8(7) . . ?
C27 C26 H26 120.1 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(7) . . ?
C6 C5 H5 120.2 . . ?
C7 C6 Cl3 120.2(7) . . ?
C7 C6 C5 119.9(8) . . ?
C5 C6 Cl3 120.0(6) . . ?
O8 C46 H46A 109.5 . . ?
O8 C46 H46B 109.5 . . ?
O8 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O6 C31 H31A 109.5 . . ?
O6 C31 H31B 109.5 . . ?
O6 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O9 C53 H53A 109.5 . . ?
O9 C53 H53B 109.5 . . ?
O9 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O7 C38 H38A 109.5 . . ?
O7 C38 H38B 109.5 . . ?
O7 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 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
Ru2 O2 C1 O1 9.5(8) . . . . ?
Ru2 O2 C1 C2 -170.2(4) . . . . ?
Ru2 N6 C47 C48 -35.4(8) . . . . ?
Ru2 N6 C47 C52 141.5(6) . . . . ?
Ru2 N6 C39 N5 2.5(8) . . . . ?
Ru2 N4 C24 N3 3.6(9) . . . . ?
Ru2 N4 C32 C33 122.4(6) . . . . ?
Ru2 N4 C32 C37 -52.5(8) . . . . ?
Ru2 N2 C17 C18 129.3(6) . . . . ?
Ru2 N2 C17 C22 -44.7(8) . . . . ?
Ru2 N2 C9 N1 2.6(9) . . . . ?
Ru1 O1 C1 O2 -5.7(9) . . . . ?
Ru1 O1 C1 C2 173.9(4) . . . . ?
Ru1 N5 C39 N6 3.2(8) . . . . ?
Ru1 N5 C40 C45 79.1(7) . . . . ?
Ru1 N5 C40 C41 -106.8(7) . . . . ?
Ru1 N1 C10 C15 112.0(6) . . . . ?
Ru1 N1 C10 C11 -69.3(8) . . . . ?
Ru1 N1 C9 N2 -0.6(9) . . . . ?
Ru1 N3 C24 N4 0.5(9) . . . . ?
Ru1 N3 C25 C30 -63.0(8) . . . . ?
Ru1 N3 C25 C26 117.1(7) . . . . ?
Cl2 C4 C5 C6 -178.9(6) . . . . ?
O3 C3 C8 C7 -179.2(7) . . . . ?
O3 C3 C4 Cl2 -1.6(9) . . . . ?
O3 C3 C4 C5 178.2(6) . . . . ?
O3 C2 C1 O1 -139.7(6) . . . . ?
O3 C2 C1 O2 40.0(8) . . . . ?
N6 C47 C48 C49 174.4(6) . . . . ?
N6 C47 C52 C51 -176.3(7) . . . . ?
N5 C40 C41 C42 -176.9(6) . . . . ?
N1 C10 C15 C14 -179.7(7) . . . . ?
N1 C10 C11 C12 -178.0(7) . . . . ?
N3 C25 C30 C29 -177.7(6) . . . . ?
N3 C25 C26 C27 179.9(7) . . . . ?
O8 C43 C42 C41 -179.2(7) . . . . ?
N4 C32 C33 C34 -174.7(7) . . . . ?
N4 C32 C37 C36 174.0(6) . . . . ?
N2 C17 C18 C19 -175.4(6) . . . . ?
N2 C17 C22 C21 175.3(6) . . . . ?
O9 C50 C49 C48 -178.5(7) . . . . ?
O9 C50 C51 C52 176.6(7) . . . . ?
O6 C28 C27 C26 -176.7(7) . . . . ?
O6 C28 C29 C30 179.0(7) . . . . ?
O4 C13 C14 C15 177.9(7) . . . . ?
C47 N6 C39 N5 -179.1(6) . . . . ?
C47 C48 C49 C50 3.0(11) . . . . ?
C47 C52 C51 C50 1.3(13) . . . . ?
O7 C35 C34 C33 179.2(7) . . . . ?
C39 N6 C47 C48 146.3(6) . . . . ?
C39 N6 C47 C52 -36.9(9) . . . . ?
C39 N5 C40 C45 -99.0(7) . . . . ?
C39 N5 C40 C41 75.1(8) . . . . ?
C45 C44 C43 O8 176.7(6) . . . . ?
C45 C44 C43 C42 -5.1(10) . . . . ?
C45 C40 C41 C42 -2.7(11) . . . . ?
C3 O3 C2 C1 62.4(8) . . . . ?
C3 C8 C7 C6 0.6(12) . . . . ?
C3 C4 C5 C6 1.4(12) . . . . ?
C44 C45 C40 N5 174.6(6) . . . . ?
C44 C45 C40 C41 0.4(10) . . . . ?
C44 C43 C42 C41 2.8(11) . . . . ?
C10 N1 C9 N2 174.3(6) . . . . ?
C10 C15 C14 C13 -2.3(12) . . . . ?
C24 N3 C25 C30 124.4(7) . . . . ?
C24 N3 C25 C26 -55.5(9) . . . . ?
C24 N4 C32 C33 -46.5(9) . . . . ?
C24 N4 C32 C37 138.7(7) . . . . ?
C12 C13 C14 C15 0.7(12) . . . . ?
C17 N2 C9 N1 167.1(6) . . . . ?
C17 C18 C19 C20 -0.1(11) . . . . ?
C43 C42 C41 C40 1.1(11) . . . . ?
C25 N3 C24 N4 173.7(6) . . . . ?
C25 C30 C29 C28 -2.0(12) . . . . ?
C32 N4 C24 N3 172.5(6) . . . . ?
C32 C33 C34 C35 2.2(13) . . . . ?
C2 O3 C3 C8 16.0(9) . . . . ?
C2 O3 C3 C4 -164.6(6) . . . . ?
C36 C35 C34 C33 -3.6(13) . . . . ?
C40 N5 C39 N6 -178.5(6) . . . . ?
C40 C45 C44 C43 3.4(10) . . . . ?
C15 C10 C11 C12 0.8(11) . . . . ?
C8 C3 C4 Cl2 177.8(5) . . . . ?
C8 C3 C4 C5 -2.4(11) . . . . ?
C8 C7 C6 Cl3 178.2(6) . . . . ?
C8 C7 C6 C5 -1.7(12) . . . . ?
C48 C47 C52 C51 0.6(11) . . . . ?
C11 C10 C15 C14 1.6(11) . . . . ?
C11 C12 C13 O4 -175.8(7) . . . . ?
C11 C12 C13 C14 1.6(12) . . . . ?
C9 N1 C10 C15 -62.5(9) . . . . ?
C9 N1 C10 C11 116.3(7) . . . . ?
C9 N2 C17 C18 -35.0(10) . . . . ?
C9 N2 C17 C22 151.0(7) . . . . ?
C33 C32 C37 C36 -1.0(11) . . . . ?
C30 C25 C26 C27 0.0(12) . . . . ?
C35 C36 C37 C32 -0.3(11) . . . . ?
C28 C27 C26 C25 -2.7(13) . . . . ?
C4 C3 C8 C7 1.5(11) . . . . ?
C4 C5 C6 Cl3 -179.2(6) . . . . ?
C4 C5 C6 C7 0.7(12) . . . . ?
C49 C50 C51 C52 -1.1(13) . . . . ?
C52 C47 C48 C49 -2.7(10) . . . . ?
C18 C17 C22 C21 1.1(11) . . . . ?
C18 C19 C20 O5 179.6(7) . . . . ?
C18 C19 C20 C21 1.7(11) . . . . ?
C13 C12 C11 C10 -2.4(12) . . . . ?
C51 C50 C49 C48 -1.0(12) . . . . ?
C37 C32 C33 C34 0.1(11) . . . . ?
C37 C36 C35 O7 179.6(7) . . . . ?
C37 C36 C35 C34 2.7(12) . . . . ?
C22 C17 C18 C19 -1.3(11) . . . . ?
C22 C21 C20 O5 179.9(6) . . . . ?
C22 C21 C20 C19 -2.0(11) . . . . ?
C27 C28 C29 C30 -0.6(12) . . . . ?
C20 C21 C22 C17 0.6(11) . . . . ?
C29 C28 C27 C26 3.0(13) . . . . ?
C16 O4 C13 C12 171.4(7) . . . . ?
C16 O4 C13 C14 -5.9(11) . . . . ?
C26 C25 C30 C29 2.3(11) . . . . ?
C46 O8 C43 C44 -169.6(6) . . . . ?
C46 O8 C43 C42 12.2(11) . . . . ?
C31 O6 C28 C27 -159.7(7) . . . . ?
C31 O6 C28 C29 20.7(12) . . . . ?
C53 O9 C50 C49 -0.4(12) . . . . ?
C53 O9 C50 C51 -177.9(7) . . . . ?
C23 O5 C20 C21 176.4(8) . . . . ?
C23 O5 C20 C19 -1.5(12) . . . . ?
C38 O7 C35 C36 1.1(13) . . . . ?
C38 O7 C35 C34 178.1(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ruprimenaa
_database_code_depnum_ccdc_archive 'CCDC 2235329'
loop_
_audit_author_name
_audit_author_address
'Miguel Cortijo'
;Complutense University of Madrid
Spain
;
_audit_update_record             
;
2023-01-10 deposited with the CCDC.	2023-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-01-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H54 Cl N6 O8 Ru2'
_chemical_formula_sum            'C57 H54 Cl N6 O8 Ru2'
_chemical_formula_weight         1188.65
_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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.3478(4)
_cell_length_b                   16.5979(7)
_cell_length_c                   16.8204(8)
_cell_angle_alpha                110.212(2)
_cell_angle_beta                 91.855(2)
_cell_angle_gamma                104.522(2)
_cell_volume                     2601.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9263
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      74.61
_cell_measurement_theta_min      2.82
_shelx_estimated_absorpt_T_max   0.895
_shelx_estimated_absorpt_T_min   0.382
_exptl_absorpt_coefficient_mu    5.678
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.4906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1390 before and 0.0991 after correction.
The Ratio of minimum to maximum transmission is 0.6508.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1214
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1196
_diffrn_reflns_av_unetI/netI     0.0536
_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       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            99612
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.245
_diffrn_reflns_theta_min         2.824
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6809
_reflns_number_total             9537
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.550
_refine_diff_density_min         -1.034
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         9537
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0524
_refine_ls_restrained_S_all      1.041
_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)+(0.0276P)²+18.7969P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1338
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C49(H49), C43(H43), C28(H28), C45(H45), C30(H30), C15(H15), C26(H26),
 C33(H33), C48(H48), C41(H41), C25(H25), C34(H34), C19(H19), C56(H56), C13(H13),
  C55(H55), C31(H31), C22(H22), C23(H23), C10(H10), C37(H37), C9(H9), C40(H40),
 C46(H46), C4(H4), C18(H18), C16(H16), C53(H53), C12(H12), C52(H52), C6(H6),
 C11(H11), C5(H5), C38(H38)
2.c Idealised Me refined as rotating group:
 C50(H50A,H50B,H50C), C35(H35A,H35B,H35C), C27(H27A,H27B,H27C), C57(H57A,H57B,
 H57C), C20(H20A,H20B,H20C), C42(H42A,H42B,H42C)
;
_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 0.33589(4) 0.67004(3) 0.34726(3) 0.02144(12) Uani 1 1 d . . . . .
Ru2 Ru 0.21563(4) 0.65742(3) 0.22297(3) 0.02252(12) Uani 1 1 d . . . . .
Cl1 Cl 0.43817(13) 0.67510(9) 0.47930(9) 0.0250(3) Uani 1 1 d . . . . .
O1 O 0.1984(4) 0.5516(2) 0.3399(2) 0.0228(8) Uani 1 1 d . . . . .
O2 O 0.0913(4) 0.5354(2) 0.2149(2) 0.0238(8) Uani 1 1 d . . . . .
O7 O 0.8633(4) 0.5055(3) 0.4159(3) 0.0311(9) Uani 1 1 d . . . . .
O4 O -0.2887(4) 0.7838(3) 0.0868(3) 0.0372(10) Uani 1 1 d . . . . .
O5 O 0.9196(4) 0.9960(3) 0.5916(3) 0.0373(11) Uani 1 1 d . . . . .
N2 N 0.0823(4) 0.7189(3) 0.2885(3) 0.0204(10) Uani 1 1 d . . . . .
N1 N 0.2085(4) 0.7430(3) 0.4147(3) 0.0216(10) Uani 1 1 d . . . . .
N3 N 0.4687(4) 0.7880(3) 0.3486(3) 0.0203(9) Uani 1 1 d . . . . .
N4 N 0.3334(4) 0.7783(3) 0.2314(3) 0.0214(10) Uani 1 1 d . . . . .
O8 O 0.2967(5) 0.6222(3) -0.1656(3) 0.0400(11) Uani 1 1 d . . . . .
N6 N 0.3383(4) 0.5911(3) 0.1513(3) 0.0220(10) Uani 1 1 d . . . . .
N5 N 0.4502(4) 0.5927(3) 0.2724(3) 0.0242(10) Uani 1 1 d . . . . .
O3 O 0.2629(5) 0.8924(3) 0.7720(3) 0.0429(11) Uani 1 1 d . . . . .
O6 O 0.0943(5) 0.9522(4) 0.0645(3) 0.0560(14) Uani 1 1 d . . . . .
C21 C -0.0217(5) 0.7352(4) 0.2442(4) 0.0220(12) Uani 1 1 d . . . . .
C49 C 0.6865(6) 0.5931(4) 0.2914(4) 0.0257(12) Uani 1 1 d . . . . .
H49 H 0.707818 0.627264 0.256082 0.031 Uiso 1 1 calc R U . . .
C14 C 0.2185(6) 0.7797(4) 0.5064(4) 0.0257(12) Uani 1 1 d . . . . .
C43 C 0.4340(5) 0.5723(4) 0.1892(4) 0.0241(12) Uani 1 1 d . . . . .
H43 H 0.492794 0.543261 0.155549 0.029 Uiso 1 1 calc R U . . .
C29 C 0.5864(5) 0.8400(4) 0.4095(3) 0.0221(12) Uani 1 1 d . . . . .
C28 C 0.4360(5) 0.8217(4) 0.2930(3) 0.0217(12) Uani 1 1 d . . . . .
H28 H 0.488214 0.879388 0.297301 0.026 Uiso 1 1 calc R U . . .
C45 C 0.5228(6) 0.5138(4) 0.3558(4) 0.0271(13) Uani 1 1 d . . . . .
H45 H 0.431996 0.493031 0.364246 0.032 Uiso 1 1 calc R U . . .
C30 C 0.6771(6) 0.7996(4) 0.4307(4) 0.0278(13) Uani 1 1 d . . . . .
H30 H 0.662115 0.736847 0.403738 0.033 Uiso 1 1 calc R U . . .
C15 C 0.1137(6) 0.7518(4) 0.5484(4) 0.0278(13) Uani 1 1 d . . . . .
H15 H 0.033225 0.708380 0.516569 0.033 Uiso 1 1 calc R U . . .
C51 C 0.3355(6) 0.5866(4) 0.0661(4) 0.0250(12) Uani 1 1 d . . . . .
C1 C 0.1102(5) 0.5078(4) 0.2746(4) 0.0237(12) Uani 1 1 d . . . . .
C26 C -0.0606(6) 0.6818(4) 0.1582(4) 0.0313(14) Uani 1 1 d . . . . .
H26 H -0.024061 0.633034 0.133616 0.038 Uiso 1 1 calc R U . . .
C33 C 0.7243(6) 0.9822(4) 0.5088(4) 0.0290(13) Uani 1 1 d . . . . .
H33 H 0.740603 1.045156 0.534883 0.035 Uiso 1 1 calc R U . . .
C48 C 0.7877(6) 0.5708(4) 0.3281(4) 0.0273(13) Uani 1 1 d . . . . .
H48 H 0.878167 0.589337 0.317913 0.033 Uiso 1 1 calc R U . . .
C2 C 0.0260(6) 0.4160(4) 0.2665(4) 0.0299(13) Uani 1 1 d . . . . .
H2A H 0.015618 0.414125 0.324216 0.036 Uiso 1 1 calc R U . . .
H2B H -0.064776 0.403838 0.236606 0.036 Uiso 1 1 calc R U . . .
C32 C 0.8124(6) 0.9419(4) 0.5307(4) 0.0296(13) Uani 1 1 d . . . . .
C41 C 0.2617(6) 0.7986(4) 0.1009(4) 0.0304(13) Uani 1 1 d . . . . .
H41 H 0.289939 0.748428 0.067689 0.036 Uiso 1 1 calc R U . . .
C25 C -0.1517(6) 0.6983(5) 0.1078(4) 0.0349(15) Uani 1 1 d . . . . .
H25 H -0.175972 0.661651 0.049004 0.042 Uiso 1 1 calc R U . . .
C34 C 0.6106(6) 0.9321(4) 0.4485(4) 0.0274(13) Uani 1 1 d . . . . .
H34 H 0.549807 0.960881 0.434196 0.033 Uiso 1 1 calc R U . . .
C19 C 0.3343(6) 0.8451(4) 0.5538(4) 0.0281(13) Uani 1 1 d . . . . .
H19 H 0.406286 0.864822 0.525194 0.034 Uiso 1 1 calc R U . . .
C56 C 0.2115(6) 0.5584(4) 0.0153(4) 0.0284(13) Uani 1 1 d . . . . .
H56 H 0.132285 0.532705 0.035038 0.034 Uiso 1 1 calc R U . . .
C13 C 0.1041(5) 0.7522(4) 0.3735(4) 0.0222(12) Uani 1 1 d . . . . .
H13 H 0.044999 0.782720 0.405042 0.027 Uiso 1 1 calc R U . . .
C47 C 0.7554(6) 0.5212(4) 0.3799(4) 0.0269(13) Uani 1 1 d . . . . .
C44 C 0.5536(6) 0.5656(4) 0.3060(4) 0.0233(12) Uani 1 1 d . . . . .
C17 C 0.2409(6) 0.8520(4) 0.6841(4) 0.0311(14) Uani 1 1 d . . . . .
C55 C 0.2023(6) 0.5674(4) -0.0637(4) 0.0310(14) Uani 1 1 d . . . . .
H55 H 0.117747 0.546233 -0.098535 0.037 Uiso 1 1 calc R U . . .
C31 C 0.7893(6) 0.8495(4) 0.4904(4) 0.0280(13) Uani 1 1 d . . . . .
H31 H 0.850871 0.820880 0.504236 0.034 Uiso 1 1 calc R U . . .
C22 C -0.0837(6) 0.8018(4) 0.2784(4) 0.0281(13) Uani 1 1 d . . . . .
H22 H -0.062196 0.837630 0.337542 0.034 Uiso 1 1 calc R U . . .
C36 C 0.2832(5) 0.8281(4) 0.1895(4) 0.0257(12) Uani 1 1 d . . . . .
C54 C 0.3183(6) 0.6077(4) -0.0916(4) 0.0300(13) Uani 1 1 d . . . . .
C7 C 0.2320(6) 0.2441(4) 0.2097(4) 0.0356(15) Uani 1 1 d . . . . .
C3 C 0.0912(6) 0.3452(4) 0.2176(4) 0.0305(14) Uani 1 1 d . . . . .
C23 C -0.1766(6) 0.8175(4) 0.2288(4) 0.0333(14) Uani 1 1 d . . . . .
H23 H -0.219273 0.862815 0.254448 0.040 Uiso 1 1 calc R U . . .
C10 C 0.2841(6) 0.3102(5) 0.3881(4) 0.0383(16) Uani 1 1 d . . . . .
H10 H 0.303371 0.332255 0.448599 0.046 Uiso 1 1 calc R U . . .
C37 C 0.2449(6) 0.9034(4) 0.2370(4) 0.0337(14) Uani 1 1 d . . . . .
H37 H 0.261609 0.925339 0.297642 0.040 Uiso 1 1 calc R U . . .
C9 C 0.2059(6) 0.3457(4) 0.3506(4) 0.0345(14) Uani 1 1 d . . . . .
H9 H 0.171470 0.392263 0.385207 0.041 Uiso 1 1 calc R U . . .
C24 C -0.2075(5) 0.7686(4) 0.1434(4) 0.0293(13) Uani 1 1 d . . . . .
C40 C 0.2006(7) 0.8409(4) 0.0608(4) 0.0365(15) Uani 1 1 d . . . . .
H40 H 0.186425 0.820083 0.000131 0.044 Uiso 1 1 calc R U . . .
C46 C 0.6244(6) 0.4917(4) 0.3937(4) 0.0278(13) Uani 1 1 d . . . . .
H46 H 0.603365 0.456777 0.428409 0.033 Uiso 1 1 calc R U . . .
C4 C 0.0671(7) 0.3109(4) 0.1295(4) 0.0363(15) Uani 1 1 d . . . . .
H4 H 0.011305 0.332996 0.101191 0.044 Uiso 1 1 calc R U . . .
C50 C 0.8316(7) 0.4401(4) 0.4548(5) 0.0382(16) Uani 1 1 d . . . . .
H50A H 0.772535 0.384172 0.413465 0.057 Uiso 1 1 calc R U . . .
H50B H 0.785707 0.461760 0.504595 0.057 Uiso 1 1 calc R U . . .
H50C H 0.914755 0.429520 0.472901 0.057 Uiso 1 1 calc R U . . .
C18 C 0.3459(6) 0.8817(4) 0.6419(4) 0.0329(14) Uani 1 1 d . . . . .
H18 H 0.424882 0.926784 0.673600 0.040 Uiso 1 1 calc R U . . .
C16 C 0.1261(6) 0.7874(4) 0.6379(4) 0.0314(14) Uani 1 1 d . . . . .
H16 H 0.054955 0.766919 0.666616 0.038 Uiso 1 1 calc R U . . .
C53 C 0.4414(6) 0.6315(4) -0.0441(4) 0.0321(14) Uani 1 1 d . . . . .
H53 H 0.520865 0.655157 -0.064764 0.039 Uiso 1 1 calc R U . . .
C12 C 0.3112(7) 0.2092(5) 0.2511(5) 0.0467(18) Uani 1 1 d . . . . .
H12 H 0.347343 0.162828 0.218124 0.056 Uiso 1 1 calc R U . . .
C52 C 0.4505(6) 0.6211(4) 0.0342(4) 0.0261(12) Uani 1 1 d . . . . .
H52 H 0.536319 0.637701 0.066436 0.031 Uiso 1 1 calc R U . . .
C8 C 0.1750(6) 0.3130(4) 0.2588(4) 0.0303(14) Uani 1 1 d . . . . .
C6 C 0.2029(7) 0.2107(5) 0.1192(5) 0.0439(17) Uani 1 1 d . . . . .
H6 H 0.239170 0.164847 0.085395 0.053 Uiso 1 1 calc R U . . .
C35 C 1.0063(7) 0.9528(4) 0.6180(5) 0.0428(17) Uani 1 1 d . . . . .
H35A H 1.050476 0.924236 0.569751 0.064 Uiso 1 1 calc R U . . .
H35B H 0.953233 0.907300 0.637901 0.064 Uiso 1 1 calc R U . . .
H35C H 1.074622 0.997047 0.664660 0.064 Uiso 1 1 calc R U . . .
C39 C 0.1591(7) 0.9144(5) 0.1091(4) 0.0371(15) Uani 1 1 d . . . . .
C11 C 0.3368(7) 0.2412(5) 0.3383(5) 0.0453(17) Uani 1 1 d . . . . .
H11 H 0.390353 0.216909 0.365429 0.054 Uiso 1 1 calc R U . . .
C5 C 0.1231(7) 0.2443(5) 0.0810(5) 0.0444(17) Uani 1 1 d . . . . .
H5 H 0.105174 0.222079 0.020441 0.053 Uiso 1 1 calc R U . . .
C38 C 0.1828(7) 0.9471(4) 0.1973(5) 0.0375(15) Uani 1 1 d . . . . .
H38 H 0.157065 0.998507 0.230108 0.045 Uiso 1 1 calc R U . . .
C27 C -0.3601(7) 0.8484(5) 0.1211(5) 0.0412(16) Uani 1 1 d . . . . .
H27A H -0.414679 0.852192 0.074516 0.062 Uiso 1 1 calc R U . . .
H27B H -0.295845 0.906894 0.152229 0.062 Uiso 1 1 calc R U . . .
H27C H -0.418956 0.830731 0.160277 0.062 Uiso 1 1 calc R U . . .
C57 C 0.4100(8) 0.6720(5) -0.1912(5) 0.0459(17) Uani 1 1 d . . . . .
H57A H 0.380859 0.682199 -0.242074 0.069 Uiso 1 1 calc R U . . .
H57B H 0.477109 0.638469 -0.204358 0.069 Uiso 1 1 calc R U . . .
H57C H 0.449811 0.729682 -0.144747 0.069 Uiso 1 1 calc R U . . .
C20 C 0.1802(8) 0.8475(5) 0.8180(5) 0.0504(19) Uani 1 1 d . . . . .
H20A H 0.186816 0.786074 0.801039 0.076 Uiso 1 1 calc R U . . .
H20B H 0.086471 0.846389 0.805425 0.076 Uiso 1 1 calc R U . . .
H20C H 0.209994 0.878924 0.879425 0.076 Uiso 1 1 calc R U . . .
C42 C 0.0064(8) 1.0011(6) 0.1093(6) 0.059(2) Uani 1 1 d . . . . .
H42A H -0.045593 1.015968 0.069298 0.089 Uiso 1 1 calc R U . . .
H42B H 0.059801 1.056256 0.154494 0.089 Uiso 1 1 calc R U . . .
H42C H -0.055242 0.964522 0.134664 0.089 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 Ru2 2.3155(6) . ?
Ru1 Cl1 2.3946(14) . ?
Ru1 O1 2.079(4) . ?
Ru1 N1 2.107(5) . ?
Ru1 N3 2.083(4) . ?
Ru1 N5 2.091(5) . ?
Ru2 O2 2.066(4) . ?
Ru2 N2 2.046(4) . ?
Ru2 N4 2.024(4) . ?
Ru2 N6 2.039(5) . ?
O1 C1 1.272(7) . ?
O2 C1 1.266(7) . ?
O7 C47 1.377(7) . ?
O7 C50 1.428(7) . ?
O4 C24 1.376(7) . ?
O4 C27 1.424(8) . ?
O5 C32 1.370(7) . ?
O5 C35 1.427(7) . ?
N2 C21 1.422(7) . ?
N2 C13 1.332(7) . ?
N1 C14 1.438(7) . ?
N1 C13 1.334(7) . ?
N3 C29 1.435(7) . ?
N3 C28 1.320(7) . ?
N4 C28 1.322(7) . ?
N4 C36 1.428(7) . ?
O8 C54 1.367(7) . ?
O8 C57 1.427(8) . ?
N6 C43 1.318(7) . ?
N6 C51 1.409(7) . ?
N5 C43 1.315(7) . ?
N5 C44 1.431(7) . ?
O3 C17 1.380(7) . ?
O3 C20 1.417(8) . ?
O6 C39 1.381(7) . ?
O6 C42 1.430(9) . ?
C21 C26 1.391(8) . ?
C21 C22 1.380(8) . ?
C49 H49 0.9500 . ?
C49 C48 1.388(8) . ?
C49 C44 1.395(8) . ?
C14 C15 1.383(8) . ?
C14 C19 1.392(8) . ?
C43 H43 0.9500 . ?
C29 C30 1.384(8) . ?
C29 C34 1.390(8) . ?
C28 H28 0.9500 . ?
C45 H45 0.9500 . ?
C45 C44 1.385(8) . ?
C45 C46 1.399(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.383(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.402(9) . ?
C51 C56 1.395(8) . ?
C51 C52 1.394(8) . ?
C1 C2 1.511(8) . ?
C26 H26 0.9500 . ?
C26 C25 1.387(8) . ?
C33 H33 0.9500 . ?
C33 C32 1.367(8) . ?
C33 C34 1.398(8) . ?
C48 H48 0.9500 . ?
C48 C47 1.387(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.510(9) . ?
C32 C31 1.399(9) . ?
C41 H41 0.9500 . ?
C41 C36 1.390(8) . ?
C41 C40 1.368(8) . ?
C25 H25 0.9500 . ?
C25 C24 1.389(9) . ?
C34 H34 0.9500 . ?
C19 H19 0.9500 . ?
C19 C18 1.382(9) . ?
C56 H56 0.9500 . ?
C56 C55 1.391(8) . ?
C13 H13 0.9500 . ?
C47 C46 1.377(8) . ?
C17 C18 1.396(8) . ?
C17 C16 1.376(9) . ?
C55 H55 0.9500 . ?
C55 C54 1.401(9) . ?
C31 H31 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.383(8) . ?
C36 C37 1.392(9) . ?
C54 C53 1.372(9) . ?
C7 C12 1.404(9) . ?
C7 C8 1.433(9) . ?
C7 C6 1.420(10) . ?
C3 C4 1.380(9) . ?
C3 C8 1.403(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.363(9) . ?
C10 H10 0.9500 . ?
C10 C9 1.365(9) . ?
C10 C11 1.411(10) . ?
C37 H37 0.9500 . ?
C37 C38 1.388(9) . ?
C9 H9 0.9500 . ?
C9 C8 1.444(9) . ?
C40 H40 0.9500 . ?
C40 C39 1.391(9) . ?
C46 H46 0.9500 . ?
C4 H4 0.9500 . ?
C4 C5 1.397(10) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C18 H18 0.9500 . ?
C16 H16 0.9500 . ?
C53 H53 0.9500 . ?
C53 C52 1.388(8) . ?
C12 H12 0.9500 . ?
C12 C11 1.367(10) . ?
C52 H52 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.360(10) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C39 C38 1.382(9) . ?
C11 H11 0.9500 . ?
C5 H5 0.9500 . ?
C38 H38 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 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
Ru2 Ru1 Cl1 173.92(4) . . ?
O1 Ru1 Ru2 87.34(10) . . ?
O1 Ru1 Cl1 87.42(11) . . ?
O1 Ru1 N1 89.90(16) . . ?
O1 Ru1 N3 177.05(16) . . ?
O1 Ru1 N5 87.92(16) . . ?
N1 Ru1 Ru2 87.23(12) . . ?
N1 Ru1 Cl1 89.69(13) . . ?
N3 Ru1 Ru2 89.72(12) . . ?
N3 Ru1 Cl1 95.53(13) . . ?
N3 Ru1 N1 90.18(17) . . ?
N3 Ru1 N5 91.80(18) . . ?
N5 Ru1 Ru2 88.77(12) . . ?
N5 Ru1 Cl1 94.11(13) . . ?
N5 Ru1 N1 175.53(17) . . ?
O2 Ru2 Ru1 90.52(10) . . ?
N2 Ru2 Ru1 92.59(12) . . ?
N2 Ru2 O2 89.37(17) . . ?
N4 Ru2 Ru1 90.04(13) . . ?
N4 Ru2 O2 178.52(17) . . ?
N4 Ru2 N2 89.25(18) . . ?
N4 Ru2 N6 92.85(18) . . ?
N6 Ru2 Ru1 90.60(12) . . ?
N6 Ru2 O2 88.51(17) . . ?
N6 Ru2 N2 176.19(17) . . ?
C1 O1 Ru1 120.0(3) . . ?
C1 O2 Ru2 117.6(3) . . ?
C47 O7 C50 116.1(4) . . ?
C24 O4 C27 117.7(5) . . ?
C32 O5 C35 116.5(5) . . ?
C21 N2 Ru2 120.5(3) . . ?
C13 N2 Ru2 118.6(3) . . ?
C13 N2 C21 120.5(5) . . ?
C14 N1 Ru1 124.1(3) . . ?
C13 N1 Ru1 120.9(4) . . ?
C13 N1 C14 114.8(5) . . ?
C29 N3 Ru1 125.8(3) . . ?
C28 N3 Ru1 117.1(4) . . ?
C28 N3 C29 116.8(4) . . ?
C28 N4 Ru2 119.9(4) . . ?
C28 N4 C36 118.1(5) . . ?
C36 N4 Ru2 119.2(3) . . ?
C54 O8 C57 117.0(5) . . ?
C43 N6 Ru2 119.7(4) . . ?
C43 N6 C51 122.3(5) . . ?
C51 N6 Ru2 116.3(3) . . ?
C43 N5 Ru1 118.8(4) . . ?
C43 N5 C44 116.7(5) . . ?
C44 N5 Ru1 124.3(4) . . ?
C17 O3 C20 116.5(5) . . ?
C39 O6 C42 116.3(6) . . ?
C26 C21 N2 117.2(5) . . ?
C22 C21 N2 125.5(5) . . ?
C22 C21 C26 117.3(5) . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C44 120.4(5) . . ?
C44 C49 H49 119.8 . . ?
C15 C14 N1 120.9(5) . . ?
C15 C14 C19 119.3(6) . . ?
C19 C14 N1 119.8(5) . . ?
N6 C43 H43 119.2 . . ?
N5 C43 N6 121.6(5) . . ?
N5 C43 H43 119.2 . . ?
C30 C29 N3 120.7(5) . . ?
C30 C29 C34 119.0(5) . . ?
C34 C29 N3 120.3(5) . . ?
N3 C28 N4 122.4(5) . . ?
N3 C28 H28 118.8 . . ?
N4 C28 H28 118.8 . . ?
C44 C45 H45 119.7 . . ?
C44 C45 C46 120.6(5) . . ?
C46 C45 H45 119.7 . . ?
C29 C30 H30 119.6 . . ?
C31 C30 C29 120.8(6) . . ?
C31 C30 H30 119.6 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(6) . . ?
C16 C15 H15 120.0 . . ?
C56 C51 N6 119.0(5) . . ?
C52 C51 N6 122.1(5) . . ?
C52 C51 C56 118.3(5) . . ?
O1 C1 C2 117.8(5) . . ?
O2 C1 O1 124.1(5) . . ?
O2 C1 C2 118.1(5) . . ?
C21 C26 H26 119.3 . . ?
C25 C26 C21 121.3(6) . . ?
C25 C26 H26 119.3 . . ?
C32 C33 H33 119.5 . . ?
C32 C33 C34 120.9(6) . . ?
C34 C33 H33 119.5 . . ?
C49 C48 H48 120.4 . . ?
C47 C48 C49 119.2(5) . . ?
C47 C48 H48 120.4 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C3 C2 C1 110.7(5) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
O5 C32 C31 124.0(5) . . ?
C33 C32 O5 116.9(5) . . ?
C33 C32 C31 119.1(5) . . ?
C36 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
C40 C41 C36 121.0(6) . . ?
C26 C25 H25 120.1 . . ?
C26 C25 C24 119.9(6) . . ?
C24 C25 H25 120.1 . . ?
C29 C34 C33 120.0(5) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C14 C19 H19 119.6 . . ?
C18 C19 C14 120.8(6) . . ?
C18 C19 H19 119.6 . . ?
C51 C56 H56 119.6 . . ?
C55 C56 C51 120.8(6) . . ?
C55 C56 H56 119.6 . . ?
N2 C13 N1 120.4(5) . . ?
N2 C13 H13 119.8 . . ?
N1 C13 H13 119.8 . . ?
O7 C47 C48 114.8(5) . . ?
O7 C47 C46 123.8(5) . . ?
C46 C47 C48 121.3(5) . . ?
C49 C44 N5 120.6(5) . . ?
C45 C44 N5 120.0(5) . . ?
C45 C44 C49 119.4(5) . . ?
O3 C17 C18 115.1(5) . . ?
C16 C17 O3 125.0(6) . . ?
C16 C17 C18 119.9(6) . . ?
C56 C55 H55 120.2 . . ?
C56 C55 C54 119.6(5) . . ?
C54 C55 H55 120.2 . . ?
C30 C31 C32 120.2(6) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C21 C22 H22 119.2 . . ?
C21 C22 C23 121.5(6) . . ?
C23 C22 H22 119.2 . . ?
C41 C36 N4 121.0(5) . . ?
C41 C36 C37 118.6(5) . . ?
C37 C36 N4 120.2(5) . . ?
O8 C54 C55 115.2(5) . . ?
O8 C54 C53 125.1(6) . . ?
C53 C54 C55 119.7(6) . . ?
C12 C7 C8 120.1(6) . . ?
C12 C7 C6 121.4(7) . . ?
C6 C7 C8 118.5(6) . . ?
C4 C3 C2 118.9(6) . . ?
C4 C3 C8 119.0(6) . . ?
C8 C3 C2 122.1(6) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.7(6) . . ?
C24 C23 H23 119.6 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C11 121.0(7) . . ?
C11 C10 H10 119.5 . . ?
C36 C37 H37 119.5 . . ?
C38 C37 C36 121.1(6) . . ?
C38 C37 H37 119.5 . . ?
C10 C9 H9 119.8 . . ?
C10 C9 C8 120.4(6) . . ?
C8 C9 H9 119.8 . . ?
O4 C24 C25 115.5(6) . . ?
C23 C24 O4 125.5(6) . . ?
C23 C24 C25 119.0(6) . . ?
C41 C40 H40 120.1 . . ?
C41 C40 C39 119.7(6) . . ?
C39 C40 H40 120.1 . . ?
C45 C46 H46 120.5 . . ?
C47 C46 C45 119.0(5) . . ?
C47 C46 H46 120.5 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.3(6) . . ?
C5 C4 H4 119.4 . . ?
O7 C50 H50A 109.5 . . ?
O7 C50 H50B 109.5 . . ?
O7 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C19 C18 C17 119.7(6) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(6) . . ?
C17 C16 H16 119.9 . . ?
C54 C53 H53 119.8 . . ?
C54 C53 C52 120.3(6) . . ?
C52 C53 H53 119.8 . . ?
C7 C12 H12 119.7 . . ?
C11 C12 C7 120.7(7) . . ?
C11 C12 H12 119.7 . . ?
C51 C52 H52 119.5 . . ?
C53 C52 C51 121.0(5) . . ?
C53 C52 H52 119.5 . . ?
C7 C8 C9 117.4(6) . . ?
C3 C8 C7 120.1(6) . . ?
C3 C8 C9 122.5(6) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.1(7) . . ?
C5 C6 H6 120.0 . . ?
O5 C35 H35A 109.5 . . ?
O5 C35 H35B 109.5 . . ?
O5 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O6 C39 C40 116.7(6) . . ?
O6 C39 C38 122.6(6) . . ?
C38 C39 C40 120.7(6) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(7) . . ?
C12 C11 H11 119.8 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(7) . . ?
C6 C5 H5 119.5 . . ?
C37 C38 H38 120.6 . . ?
C39 C38 C37 118.8(6) . . ?
C39 C38 H38 120.6 . . ?
O4 C27 H27A 109.5 . . ?
O4 C27 H27B 109.5 . . ?
O4 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O8 C57 H57A 109.5 . . ?
O8 C57 H57B 109.5 . . ?
O8 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O3 C20 H20A 109.5 . . ?
O3 C20 H20B 109.5 . . ?
O3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O6 C42 H42A 109.5 . . ?
O6 C42 H42B 109.5 . . ?
O6 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 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 O2 -6.6(7) . . . . ?
Ru1 O1 C1 C2 171.4(4) . . . . ?
Ru1 N1 C14 C15 -117.7(5) . . . . ?
Ru1 N1 C14 C19 63.1(7) . . . . ?
Ru1 N1 C13 N2 -3.2(7) . . . . ?
Ru1 N3 C29 C30 47.6(7) . . . . ?
Ru1 N3 C29 C34 -132.2(5) . . . . ?
Ru1 N3 C28 N4 -8.4(7) . . . . ?
Ru1 N5 C43 N6 -7.3(7) . . . . ?
Ru1 N5 C44 C49 -118.1(5) . . . . ?
Ru1 N5 C44 C45 60.0(7) . . . . ?
Ru2 O2 C1 O1 1.9(7) . . . . ?
Ru2 O2 C1 C2 -176.1(4) . . . . ?
Ru2 N2 C21 C26 23.0(7) . . . . ?
Ru2 N2 C21 C22 -154.5(5) . . . . ?
Ru2 N2 C13 N1 -2.1(7) . . . . ?
Ru2 N4 C28 N3 2.3(7) . . . . ?
Ru2 N4 C36 C41 -67.9(6) . . . . ?
Ru2 N4 C36 C37 107.0(5) . . . . ?
Ru2 N6 C43 N5 2.2(7) . . . . ?
Ru2 N6 C51 C56 -49.9(6) . . . . ?
Ru2 N6 C51 C52 120.9(5) . . . . ?
O1 C1 C2 C3 -91.0(6) . . . . ?
O2 C1 C2 C3 87.1(6) . . . . ?
O7 C47 C46 C45 178.2(5) . . . . ?
O5 C32 C31 C30 178.9(6) . . . . ?
N2 C21 C26 C25 -173.7(5) . . . . ?
N2 C21 C22 C23 174.7(5) . . . . ?
N1 C14 C15 C16 179.1(5) . . . . ?
N1 C14 C19 C18 179.7(5) . . . . ?
N3 C29 C30 C31 -178.8(5) . . . . ?
N3 C29 C34 C33 179.0(5) . . . . ?
N4 C36 C37 C38 -173.1(5) . . . . ?
O8 C54 C53 C52 174.0(6) . . . . ?
N6 C51 C56 C55 168.9(5) . . . . ?
N6 C51 C52 C53 -167.5(5) . . . . ?
O3 C17 C18 C19 179.6(6) . . . . ?
O3 C17 C16 C15 179.1(6) . . . . ?
O6 C39 C38 C37 178.0(6) . . . . ?
C21 N2 C13 N1 -174.5(5) . . . . ?
C21 C26 C25 C24 -1.0(9) . . . . ?
C21 C22 C23 C24 -1.5(9) . . . . ?
C49 C48 C47 O7 -177.6(5) . . . . ?
C49 C48 C47 C46 1.8(9) . . . . ?
C14 N1 C13 N2 -178.3(5) . . . . ?
C14 C15 C16 C17 1.7(9) . . . . ?
C14 C19 C18 C17 0.8(9) . . . . ?
C43 N6 C51 C56 144.9(6) . . . . ?
C43 N6 C51 C52 -44.4(8) . . . . ?
C43 N5 C44 C49 57.0(7) . . . . ?
C43 N5 C44 C45 -125.0(6) . . . . ?
C29 N3 C28 N4 177.0(5) . . . . ?
C29 C30 C31 C32 0.2(9) . . . . ?
C28 N3 C29 C30 -138.3(5) . . . . ?
C28 N3 C29 C34 41.9(7) . . . . ?
C28 N4 C36 C41 130.9(6) . . . . ?
C28 N4 C36 C37 -54.1(7) . . . . ?
C30 C29 C34 C33 -0.7(8) . . . . ?
C15 C14 C19 C18 0.5(9) . . . . ?
C51 N6 C43 N5 167.0(5) . . . . ?
C51 C56 C55 C54 -2.0(9) . . . . ?
C1 C2 C3 C4 -85.3(7) . . . . ?
C1 C2 C3 C8 94.9(7) . . . . ?
C26 C21 C22 C23 -2.8(8) . . . . ?
C26 C25 C24 O4 175.3(5) . . . . ?
C26 C25 C24 C23 -3.3(9) . . . . ?
C33 C32 C31 C30 -1.4(9) . . . . ?
C48 C49 C44 N5 176.4(5) . . . . ?
C48 C49 C44 C45 -1.7(9) . . . . ?
C48 C47 C46 C45 -1.2(9) . . . . ?
C2 C3 C4 C5 -179.0(6) . . . . ?
C2 C3 C8 C7 178.5(5) . . . . ?
C2 C3 C8 C9 -0.5(9) . . . . ?
C32 C33 C34 C29 -0.5(9) . . . . ?
C41 C36 C37 C38 1.9(9) . . . . ?
C41 C40 C39 O6 -178.0(6) . . . . ?
C41 C40 C39 C38 2.0(10) . . . . ?
C34 C29 C30 C31 0.9(8) . . . . ?
C34 C33 C32 O5 -178.7(5) . . . . ?
C34 C33 C32 C31 1.5(9) . . . . ?
C19 C14 C15 C16 -1.8(9) . . . . ?
C56 C51 C52 C53 3.3(9) . . . . ?
C56 C55 C54 O8 -173.2(5) . . . . ?
C56 C55 C54 C53 5.2(9) . . . . ?
C13 N2 C21 C26 -164.7(5) . . . . ?
C13 N2 C21 C22 17.8(8) . . . . ?
C13 N1 C14 C15 57.2(7) . . . . ?
C13 N1 C14 C19 -121.9(6) . . . . ?
C44 N5 C43 N6 177.4(5) . . . . ?
C44 C49 C48 C47 -0.3(9) . . . . ?
C44 C45 C46 C47 -0.8(9) . . . . ?
C55 C54 C53 C52 -4.2(9) . . . . ?
C22 C21 C26 C25 4.0(9) . . . . ?
C22 C23 C24 O4 -173.9(5) . . . . ?
C22 C23 C24 C25 4.6(9) . . . . ?
C36 N4 C28 N3 163.3(5) . . . . ?
C36 C41 C40 C39 0.0(10) . . . . ?
C36 C37 C38 C39 0.0(10) . . . . ?
C54 C53 C52 C51 -0.1(9) . . . . ?
C7 C12 C11 C10 -0.1(11) . . . . ?
C7 C6 C5 C4 -0.9(11) . . . . ?
C3 C4 C5 C6 0.3(10) . . . . ?
C10 C9 C8 C7 -1.4(9) . . . . ?
C10 C9 C8 C3 177.7(6) . . . . ?
C9 C10 C11 C12 0.6(10) . . . . ?
C40 C41 C36 N4 173.0(5) . . . . ?
C40 C41 C36 C37 -2.0(9) . . . . ?
C40 C39 C38 C37 -2.0(10) . . . . ?
C46 C45 C44 N5 -175.8(5) . . . . ?
C46 C45 C44 C49 2.3(9) . . . . ?
C4 C3 C8 C7 -1.4(9) . . . . ?
C4 C3 C8 C9 179.6(6) . . . . ?
C50 O7 C47 C48 -167.6(5) . . . . ?
C50 O7 C47 C46 13.0(8) . . . . ?
C18 C17 C16 C15 -0.5(9) . . . . ?
C16 C17 C18 C19 -0.8(9) . . . . ?
C12 C7 C8 C3 -177.2(6) . . . . ?
C12 C7 C8 C9 1.8(9) . . . . ?
C12 C7 C6 C5 178.3(7) . . . . ?
C52 C51 C56 C55 -2.2(9) . . . . ?
C8 C7 C12 C11 -1.1(10) . . . . ?
C8 C7 C6 C5 0.3(10) . . . . ?
C8 C3 C4 C5 0.8(9) . . . . ?
C6 C7 C12 C11 -179.1(7) . . . . ?
C6 C7 C8 C3 0.8(9) . . . . ?
C6 C7 C8 C9 179.9(6) . . . . ?
C35 O5 C32 C33 176.1(6) . . . . ?
C35 O5 C32 C31 -4.1(9) . . . . ?
C11 C10 C9 C8 0.2(9) . . . . ?
C27 O4 C24 C25 173.3(6) . . . . ?
C27 O4 C24 C23 -8.3(8) . . . . ?
C57 O8 C54 C55 173.2(6) . . . . ?
C57 O8 C54 C53 -5.1(9) . . . . ?
C20 O3 C17 C18 -161.9(6) . . . . ?
C20 O3 C17 C16 18.5(9) . . . . ?
C42 O6 C39 C40 155.6(7) . . . . ?
C42 O6 C39 C38 -24.4(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT601_ruprimenaa          
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS of 114 Ang**3
RESPONSE:SQUEEZE procedure determined the presence of 3 electrons in the EAV
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# end Validation Reply Form
