# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1504156'
_audit_update_record             
;
2016-09-13 deposited with the CCDC.	2020-02-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H18 Br2 N2 O10 Ru3'
_chemical_formula_weight         1077.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9227(5)
_cell_length_b                   12.4570(6)
_cell_length_c                   16.0614(8)
_cell_angle_alpha                80.5840(10)
_cell_angle_beta                 74.3200(10)
_cell_angle_gamma                67.5180(10)
_cell_volume                     1762.10(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2318
_cell_measurement_theta_min      1.01
_cell_measurement_theta_max      25.19

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_F_000             1036
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_exptl_absorpt_coefficient_mu    3.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3812
_exptl_absorpt_correction_T_max  0.5636
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine--focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_reflns_number            24809
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.281
_diffrn_reflns_theta_max         28.315
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             8654
_reflns_number_gt                7490
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'SMART (Bruker, 1998)'
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0775P)²+1.4560P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0441(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8654
_refine_ls_number_parameters     461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0381
_refine_ls_wR_factor_ref         0.1211
_refine_ls_wR_factor_gt          0.1040
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.49005(8) 0.14167(5) 0.31571(3) 0.0813(2) Uani 1 1 d . . . . .
Br2 Br 0.72595(8) 0.78184(6) 1.02169(4) 0.0870(2) Uani 1 1 d . . . . .
C1 C 0.6561(4) 0.6261(3) 0.8364(2) 0.0452(8) Uani 1 1 d . . . . .
H1 H 0.5785 0.6376 0.8101 0.054 Uiso 1 1 calc R U . . .
C2 C 0.6357(5) 0.7007(4) 0.8982(3) 0.0537(9) Uani 1 1 d . . . . .
H2 H 0.5453 0.7620 0.9131 0.064 Uiso 1 1 calc R U . . .
C3 C 0.7517(5) 0.6818(4) 0.9366(3) 0.0535(10) Uani 1 1 d . . . . .
C4 C 0.8868(5) 0.5914(4) 0.9150(3) 0.0539(9) Uani 1 1 d . . . . .
H4 H 0.9641 0.5803 0.9415 0.065 Uiso 1 1 calc R U . . .
C5 C 0.9061(5) 0.5176(4) 0.8538(3) 0.0494(9) Uani 1 1 d . . . . .
H5 H 0.9964 0.4561 0.8395 0.059 Uiso 1 1 calc R U . . .
C6 C 0.7909(4) 0.5348(3) 0.8136(2) 0.0405(7) Uani 1 1 d . . . . .
C7 C 0.7897(4) 0.5089(3) 0.6747(2) 0.0416(7) Uani 1 1 d . . . . .
H7 H 0.7470 0.5897 0.6721 0.050 Uiso 1 1 calc R U . . .
C8 C 0.8205(4) 0.4545(3) 0.5945(2) 0.0392(7) Uani 1 1 d . . . . .
C9 C 0.8143(4) 0.5301(4) 0.5187(3) 0.0463(8) Uani 1 1 d . . . . .
H9 H 0.7775 0.6101 0.5237 0.056 Uiso 1 1 calc R U . . .
C10 C 0.8613(4) 0.4884(4) 0.4380(2) 0.0522(10) Uani 1 1 d . . . . .
H10 H 0.8548 0.5397 0.3889 0.063 Uiso 1 1 calc R U . . .
C11 C 0.9185(5) 0.3697(5) 0.4300(3) 0.0567(10) Uani 1 1 d . . . . .
H11 H 0.9553 0.3408 0.3753 0.068 Uiso 1 1 calc R U . . .
C12 C 0.9211(5) 0.2937(4) 0.5031(2) 0.0501(9) Uani 1 1 d . . . . .
H12 H 0.9575 0.2139 0.4970 0.060 Uiso 1 1 calc R U . . .
C13 C 0.8700(4) 0.3346(3) 0.5863(2) 0.0392(7) Uani 1 1 d . . . . .
C14 C 0.5358(4) 0.3739(3) 0.8132(2) 0.0338(6) Uani 1 1 d . . . . .
C15 C 0.4950(4) 0.4212(3) 0.8937(2) 0.0447(8) Uani 1 1 d . . . . .
H15 H 0.5544 0.3860 0.9336 0.054 Uiso 1 1 calc R U . . .
C16 C 0.3688(4) 0.5188(4) 0.9151(3) 0.0517(9) Uani 1 1 d . . . . .
H16 H 0.3438 0.5479 0.9692 0.062 Uiso 1 1 calc R U . . .
C17 C 0.2789(4) 0.5739(4) 0.8565(3) 0.0537(10) Uani 1 1 d . . . . .
H17 H 0.1957 0.6412 0.8701 0.064 Uiso 1 1 calc R U . . .
C18 C 0.3145(4) 0.5278(3) 0.7783(3) 0.0486(8) Uani 1 1 d . . . . .
H18 H 0.2532 0.5639 0.7395 0.058 Uiso 1 1 calc R U . . .
C19 C 0.4413(4) 0.4271(3) 0.7548(2) 0.0398(7) Uani 1 1 d . . . . .
C20 C 0.4604(4) 0.3828(3) 0.6729(2) 0.0421(7) Uani 1 1 d . . . . .
H20 H 0.3974 0.4308 0.6375 0.051 Uiso 1 1 calc R U . . .
C21 C 0.5347(4) 0.2575(3) 0.5642(2) 0.0384(7) Uani 1 1 d . . . . .
C22 C 0.5848(5) 0.3067(4) 0.4853(3) 0.0565(10) Uani 1 1 d . . . . .
H22 H 0.6269 0.3629 0.4815 0.068 Uiso 1 1 calc R U . . .
C23 C 0.5720(6) 0.2714(5) 0.4101(3) 0.0619(11) Uani 1 1 d . . . . .
H23 H 0.6092 0.3017 0.3558 0.074 Uiso 1 1 calc R U . . .
C24 C 0.5046(5) 0.1923(3) 0.4172(2) 0.0487(9) Uani 1 1 d . . . . .
C25 C 0.4474(5) 0.1480(4) 0.4960(3) 0.0529(9) Uani 1 1 d . . . . .
H25 H 0.3968 0.0975 0.4999 0.064 Uiso 1 1 calc R U . . .
C26 C 0.4652(5) 0.1785(3) 0.5700(3) 0.0472(8) Uani 1 1 d . . . . .
H26 H 0.4303 0.1459 0.6239 0.057 Uiso 1 1 calc R U . . .
C27 C 0.6090(5) 0.0733(3) 0.7673(3) 0.0480(8) Uani 1 1 d . . . . .
C28 C 0.8073(5) 0.0462(3) 0.6238(3) 0.0505(9) Uani 1 1 d . . . . .
C29 C 0.9518(6) -0.1199(4) 0.7794(3) 0.0625(12) Uani 1 1 d . . . . .
C30 C 1.0831(5) 0.0398(4) 0.6816(3) 0.0532(10) Uani 1 1 d . . . . .
C31 C 1.1036(6) -0.0150(5) 0.8576(3) 0.0710(13) Uani 1 1 d . . . . .
C32 C 0.7799(5) 0.0668(4) 0.8945(3) 0.0517(9) Uani 1 1 d . . . . .
C33 C 0.8846(4) 0.2624(3) 0.8970(2) 0.0446(8) Uani 1 1 d . . . . .
C34 C 1.0880(5) 0.2441(4) 0.7606(3) 0.0510(9) Uani 1 1 d . . . . .
N1 N 0.8142(3) 0.4587(3) 0.74849(19) 0.0394(6) Uani 1 1 d . . . . .
N2 N 0.5536(3) 0.2853(3) 0.64285(19) 0.0404(6) Uani 1 1 d . . . . .
O1 O 0.8562(5) -0.0236(3) 0.5757(2) 0.0799(11) Uani 1 1 d . . . . .
O2 O 0.5379(5) 0.0218(3) 0.8071(2) 0.0724(10) Uani 1 1 d . . . . .
O3 O 0.9590(7) -0.2085(3) 0.7666(3) 0.1035(16) Uani 1 1 d . . . . .
O4 O 1.1633(4) 0.0421(4) 0.6167(2) 0.0752(10) Uani 1 1 d . . . . .
O5 O 1.1956(6) -0.0415(6) 0.8926(4) 0.127(2) Uani 1 1 d . . . . .
O6 O 0.6828(4) 0.0884(3) 0.9523(2) 0.0700(9) Uani 1 1 d . . . . .
O7 O 1.2116(4) 0.2297(4) 0.7510(3) 0.0815(11) Uani 1 1 d . . . . .
O8 O 0.8836(4) 0.2559(3) 0.96877(19) 0.0650(8) Uani 1 1 d . . . . .
O9 O 0.6597(3) 0.2810(2) 0.79631(15) 0.0374(5) Uani 1 1 d . . . . .
O10 O 0.8724(3) 0.2570(2) 0.65462(15) 0.0404(5) Uani 1 1 d . . . . .
Ru1 Ru 0.88729(3) 0.27060(2) 0.78087(2) 0.03543(10) Uani 1 1 d . . . . .
Ru2 Ru 0.72504(3) 0.15779(2) 0.70412(2) 0.03640(10) Uani 1 1 d . . . . .
Ru3 Ru 0.94827(3) 0.03206(2) 0.79327(2) 0.04326(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Br1 C24 1.899(3) . ?
Br2 C3 1.899(4) . ?
C1 C2 1.392(6) . ?
C1 C6 1.387(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.376(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(7) . ?
C4 C5 1.381(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.392(5) . ?
C5 H5 0.9300 . ?
C6 N1 1.439(4) . ?
C7 N1 1.286(5) . ?
C7 C8 1.457(5) . ?
C7 H7 0.9300 . ?
C8 C13 1.399(5) . ?
C8 C9 1.412(5) . ?
C9 C10 1.370(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.400(5) . ?
C12 H12 0.9300 . ?
C13 O10 1.338(4) . ?
C14 O9 1.326(4) . ?
C14 C15 1.402(5) . ?
C14 C19 1.412(5) . ?
C15 C16 1.379(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.389(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.369(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.411(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.447(5) . ?
C20 N2 1.286(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.365(6) . ?
C21 C26 1.382(5) . ?
C21 N2 1.440(4) . ?
C22 C23 1.404(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.362(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.361(6) . ?
C25 C26 1.379(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 O2 1.135(5) . ?
C27 Ru2 1.846(4) . ?
C28 O1 1.133(5) . ?
C28 Ru2 1.847(4) . ?
C29 O3 1.128(6) . ?
C29 Ru3 1.928(5) . ?
C30 O4 1.131(5) . ?
C30 Ru3 1.939(5) . ?
C31 O5 1.115(6) . ?
C31 Ru3 1.939(5) . ?
C32 O6 1.123(5) . ?
C32 Ru3 1.958(5) . ?
C33 O8 1.140(5) . ?
C33 Ru1 1.845(4) . ?
C34 O7 1.140(5) . ?
C34 Ru1 1.834(4) . ?
N1 Ru1 2.189(3) . ?
N2 Ru2 2.171(3) . ?
O9 Ru2 2.106(2) . ?
O9 Ru1 2.159(2) . ?
O10 Ru1 2.111(2) . ?
O10 Ru2 2.174(3) . ?
Ru1 Ru3 2.7806(4) . ?
Ru2 Ru3 2.7815(4) . ?

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
C2 C1 C6 120.8(4) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 121.5(4) . . ?
C2 C3 Br2 119.4(3) . . ?
C4 C3 Br2 119.1(3) . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 120.3(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 119.2(3) . . ?
C5 C6 N1 119.5(3) . . ?
C1 C6 N1 121.2(3) . . ?
N1 C7 C8 127.9(3) . . ?
N1 C7 H7 116.0 . . ?
C8 C7 H7 116.0 . . ?
C13 C8 C9 118.6(3) . . ?
C13 C8 C7 125.3(3) . . ?
C9 C8 C7 115.7(3) . . ?
C10 C9 C8 121.5(4) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 119.5(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 121.1(4) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
O10 C13 C8 122.8(3) . . ?
O10 C13 C12 118.4(3) . . ?
C8 C13 C12 118.8(3) . . ?
O9 C14 C15 118.5(3) . . ?
O9 C14 C19 123.4(3) . . ?
C15 C14 C19 118.1(3) . . ?
C16 C15 C14 121.6(4) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 120.4(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 119.0(4) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 122.0(4) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C14 C19 C18 118.8(3) . . ?
C14 C19 C20 124.8(3) . . ?
C18 C19 C20 116.4(3) . . ?
N2 C20 C19 128.0(3) . . ?
N2 C20 H20 116.0 . . ?
C19 C20 H20 116.0 . . ?
C22 C21 C26 120.3(3) . . ?
C22 C21 N2 121.4(3) . . ?
C26 C21 N2 118.3(3) . . ?
C21 C22 C23 119.2(4) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 119.5(4) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C25 C24 C23 121.2(4) . . ?
C25 C24 Br1 118.9(3) . . ?
C23 C24 Br1 119.9(3) . . ?
C24 C25 C26 119.5(4) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C21 120.0(4) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
O2 C27 Ru2 179.1(3) . . ?
O1 C28 Ru2 178.6(4) . . ?
O3 C29 Ru3 176.0(5) . . ?
O4 C30 Ru3 178.6(4) . . ?
O5 C31 Ru3 178.1(6) . . ?
O6 C32 Ru3 179.0(4) . . ?
O8 C33 Ru1 179.2(4) . . ?
O7 C34 Ru1 177.2(4) . . ?
C7 N1 C6 115.8(3) . . ?
C7 N1 Ru1 125.3(3) . . ?
C6 N1 Ru1 118.9(2) . . ?
C20 N2 C21 115.8(3) . . ?
C20 N2 Ru2 125.8(2) . . ?
C21 N2 Ru2 118.3(2) . . ?
C14 O9 Ru2 129.5(2) . . ?
C14 O9 Ru1 127.4(2) . . ?
Ru2 O9 Ru1 92.27(9) . . ?
C13 O10 Ru1 129.0(2) . . ?
C13 O10 Ru2 127.9(2) . . ?
Ru1 O10 Ru2 91.70(9) . . ?
C34 Ru1 C33 86.45(17) . . ?
C34 Ru1 O10 99.64(14) . . ?
C33 Ru1 O10 169.67(14) . . ?
C34 Ru1 O9 172.44(14) . . ?
C33 Ru1 O9 97.32(14) . . ?
O10 Ru1 O9 75.70(9) . . ?
C34 Ru1 N1 96.95(16) . . ?
C33 Ru1 N1 101.77(14) . . ?
O10 Ru1 N1 85.86(10) . . ?
O9 Ru1 N1 88.72(10) . . ?
C34 Ru1 Ru3 90.17(14) . . ?
C33 Ru1 Ru3 89.34(12) . . ?
O10 Ru1 Ru3 82.36(7) . . ?
O9 Ru1 Ru3 83.35(6) . . ?
N1 Ru1 Ru3 167.12(8) . . ?
C34 Ru1 Ru2 129.50(13) . . ?
C33 Ru1 Ru2 124.90(13) . . ?
O10 Ru1 Ru2 44.97(7) . . ?
O9 Ru1 Ru2 43.17(6) . . ?
N1 Ru1 Ru2 111.10(8) . . ?
Ru3 Ru1 Ru2 56.450(9) . . ?
C28 Ru2 C27 88.09(18) . . ?
C28 Ru2 O9 172.66(15) . . ?
C27 Ru2 O9 96.20(13) . . ?
C28 Ru2 N2 99.52(15) . . ?
C27 Ru2 N2 96.51(15) . . ?
O9 Ru2 N2 85.95(10) . . ?
C28 Ru2 O10 99.38(16) . . ?
C27 Ru2 O10 168.40(13) . . ?
O9 Ru2 O10 75.49(9) . . ?
N2 Ru2 O10 91.03(11) . . ?
C28 Ru2 Ru3 89.78(13) . . ?
C27 Ru2 Ru3 89.96(13) . . ?
O9 Ru2 Ru3 84.29(6) . . ?
N2 Ru2 Ru3 168.82(8) . . ?
O10 Ru2 Ru3 81.26(6) . . ?
C28 Ru2 Ru1 128.20(14) . . ?
C27 Ru2 Ru1 125.16(11) . . ?
O9 Ru2 Ru1 44.56(6) . . ?
N2 Ru2 Ru1 112.50(8) . . ?
O10 Ru2 Ru1 43.33(6) . . ?
Ru3 Ru2 Ru1 56.423(10) . . ?
C29 Ru3 C30 93.8(2) . . ?
C29 Ru3 C31 98.8(2) . . ?
C30 Ru3 C31 94.2(2) . . ?
C29 Ru3 C32 96.5(2) . . ?
C30 Ru3 C32 164.25(17) . . ?
C31 Ru3 C32 95.9(2) . . ?
C29 Ru3 Ru1 163.33(15) . . ?
C30 Ru3 Ru1 82.77(13) . . ?
C31 Ru3 Ru1 97.72(18) . . ?
C32 Ru3 Ru1 83.94(12) . . ?
C29 Ru3 Ru2 96.34(15) . . ?
C30 Ru3 Ru2 84.14(12) . . ?
C31 Ru3 Ru2 164.85(18) . . ?
C32 Ru3 Ru2 82.92(12) . . ?
Ru1 Ru3 Ru2 67.127(10) . . ?

_refine_diff_density_max         2.251
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.296

####################################################################### 
# 
# 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_170625e
_database_code_depnum_ccdc_archive 'CCDC 1559100'
_audit_update_record             
;
2017-06-28 deposited with the CCDC.	2020-02-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H16 Br4 N2 O10 Ru3'
_chemical_formula_weight         1211.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   11.6950(9)
_cell_length_b                   16.4637(14)
_cell_length_c                   19.9029(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.851(3)
_cell_angle_gamma                90.00
_cell_volume                     3720.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2859
_cell_measurement_theta_min      2.601
_cell_measurement_theta_max      26.492

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2296
_exptl_absorpt_coefficient_mu    5.554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3155
_exptl_absorpt_correction_T_max  0.5554
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9115
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.47
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3259
_reflns_number_gt                2421
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0340P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3259
_refine_ls_number_parameters     231
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0797
_refine_ls_wR_factor_gt          0.0731
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.01891(3) 0.14885(2) 0.323188(19) 0.02735(13) Uani 1 1 d . . .
Ru2 Ru 0.0000 0.28831(3) 0.2500 0.03303(17) Uani 1 2 d S . .
Br1 Br -0.17823(7) 0.01358(4) 0.41672(4) 0.0782(3) Uani 1 1 d . . .
Br2 Br 0.63852(5) 0.15494(4) 0.49259(3) 0.0612(2) Uani 1 1 d . . .
N1 N 0.0076(4) 0.0160(2) 0.35222(19) 0.0300(9) Uani 1 1 d . . .
O1 O 0.1143(3) 0.11194(17) 0.27708(15) 0.0276(7) Uani 1 1 d . . .
O2 O -0.2355(4) 0.2166(2) 0.3571(2) 0.0608(12) Uani 1 1 d . . .
O3 O 0.1206(4) 0.2200(3) 0.4556(2) 0.0726(14) Uani 1 1 d . . .
O4 O 0.2659(4) 0.2702(3) 0.3110(3) 0.0842(16) Uani 1 1 d . . .
O5 O 0.0253(5) 0.4068(3) 0.1364(2) 0.0913(17) Uani 1 1 d . . .
C1 C -0.0531(5) -0.0321(3) 0.3859(3) 0.0401(13) Uani 1 1 d . . .
C2 C -0.0299(6) -0.1139(3) 0.3983(3) 0.0495(15) Uani 1 1 d . . .
H2 H -0.0744 -0.1453 0.4214 0.059 Uiso 1 1 calc R . .
C3 C 0.0614(6) -0.1466(3) 0.3751(3) 0.0568(16) Uani 1 1 d . . .
H3 H 0.0791 -0.2015 0.3821 0.068 Uiso 1 1 calc R . .
C4 C 0.1262(5) -0.0995(3) 0.3421(3) 0.0457(15) Uani 1 1 d . . .
H4 H 0.1886 -0.1216 0.3268 0.055 Uiso 1 1 calc R . .
C5 C 0.0974(4) -0.0173(3) 0.3315(2) 0.0315(12) Uani 1 1 d . . .
C6 C 0.1725(4) 0.0382(3) 0.2989(2) 0.0295(11) Uani 1 1 d . . .
H6 H 0.1880 0.0107 0.2583 0.035 Uiso 1 1 calc R . .
C7 C 0.2904(4) 0.0594(3) 0.3479(3) 0.0311(12) Uani 1 1 d . . .
C8 C 0.3819(5) 0.0855(3) 0.3214(3) 0.0418(13) Uani 1 1 d . . .
H8 H 0.3738 0.0842 0.2738 0.050 Uiso 1 1 calc R . .
C9 C 0.4858(5) 0.1136(3) 0.3635(3) 0.0444(14) Uani 1 1 d . . .
H9 H 0.5471 0.1310 0.3447 0.053 Uiso 1 1 calc R . .
C10 C 0.4964(4) 0.1154(3) 0.4330(3) 0.0372(12) Uani 1 1 d . . .
C11 C 0.4084(5) 0.0895(3) 0.4616(3) 0.0471(14) Uani 1 1 d . . .
H11 H 0.4180 0.0906 0.5093 0.057 Uiso 1 1 calc R . .
C12 C 0.3042(5) 0.0613(3) 0.4189(3) 0.0406(13) Uani 1 1 d . . .
H12 H 0.2435 0.0437 0.4381 0.049 Uiso 1 1 calc R . .
C13 C -0.1512(5) 0.1886(3) 0.3461(3) 0.0353(13) Uani 1 1 d . . .
C14 C 0.0682(5) 0.1916(3) 0.4046(3) 0.0431(14) Uani 1 1 d . . .
C15 C 0.1674(6) 0.2746(3) 0.2884(3) 0.0504(15) Uani 1 1 d . . .
C16 C 0.0166(5) 0.3631(3) 0.1791(3) 0.0503(16) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C14 1.835(6) . ?
Ru1 C13 1.836(6) . ?
Ru1 O1 2.080(3) . ?
Ru1 O1 2.129(3) 2 ?
Ru1 N1 2.264(4) . ?
Ru1 Ru2 2.7562(6) . ?
Ru1 Ru1 3.0496(8) 2 ?
Ru2 C16 1.918(6) 2 ?
Ru2 C16 1.918(6) . ?
Ru2 C15 1.936(7) 2 ?
Ru2 C15 1.936(7) . ?
Ru2 Ru1 2.7562(6) 2 ?
Br1 C1 1.874(5) . ?
Br2 C10 1.910(5) . ?
N1 C5 1.335(6) . ?
N1 C1 1.345(6) . ?
O1 C6 1.409(5) . ?
O1 Ru1 2.129(3) 2 ?
O2 C13 1.155(6) . ?
O3 C14 1.152(6) . ?
O4 C15 1.135(7) . ?
O5 C16 1.135(6) . ?
C1 C2 1.383(7) . ?
C2 C3 1.371(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.359(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.398(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.517(7) . ?
C6 C7 1.527(7) . ?
C6 H6 0.9800 . ?
C7 C8 1.370(7) . ?
C7 C12 1.384(6) . ?
C8 C9 1.380(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.359(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.358(7) . ?
C11 C12 1.387(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 Ru1 C13 88.1(2) . . ?
C14 Ru1 O1 100.66(19) . . ?
C13 Ru1 O1 168.33(17) . . ?
C14 Ru1 O1 173.14(18) . 2 ?
C13 Ru1 O1 92.92(18) . 2 ?
O1 Ru1 O1 77.47(14) . 2 ?
C14 Ru1 N1 97.56(19) . . ?
C13 Ru1 N1 110.67(18) . . ?
O1 Ru1 N1 76.06(13) . . ?
O1 Ru1 N1 88.42(13) 2 . ?
C14 Ru1 Ru2 92.84(16) . . ?
C13 Ru1 Ru2 90.77(15) . . ?
O1 Ru1 Ru2 81.19(8) . . ?
O1 Ru1 Ru2 80.37(8) 2 . ?
N1 Ru1 Ru2 156.35(10) . . ?
C14 Ru1 Ru1 131.79(17) . 2 ?
C13 Ru1 Ru1 124.15(15) . 2 ?
O1 Ru1 Ru1 44.20(8) . 2 ?
O1 Ru1 Ru1 42.93(8) 2 2 ?
N1 Ru1 Ru1 101.62(10) . 2 ?
Ru2 Ru1 Ru1 56.411(10) . 2 ?
C16 Ru2 C16 100.1(3) 2 . ?
C16 Ru2 C15 95.4(3) 2 2 ?
C16 Ru2 C15 93.2(2) . 2 ?
C16 Ru2 C15 93.2(2) 2 . ?
C16 Ru2 C15 95.4(3) . . ?
C15 Ru2 C15 166.6(3) 2 . ?
C16 Ru2 Ru1 163.52(16) 2 2 ?
C16 Ru2 Ru1 96.36(16) . 2 ?
C15 Ru2 Ru1 84.00(17) 2 2 ?
C15 Ru2 Ru1 84.83(16) . 2 ?
C16 Ru2 Ru1 96.36(16) 2 . ?
C16 Ru2 Ru1 163.52(16) . . ?
C15 Ru2 Ru1 84.83(16) 2 . ?
C15 Ru2 Ru1 84.00(17) . . ?
Ru1 Ru2 Ru1 67.18(2) 2 . ?
C5 N1 C1 117.4(4) . . ?
C5 N1 Ru1 112.8(3) . . ?
C1 N1 Ru1 129.8(3) . . ?
C6 O1 Ru1 118.2(3) . . ?
C6 O1 Ru1 129.9(3) . 2 ?
Ru1 O1 Ru1 92.87(12) . 2 ?
N1 C1 C2 123.9(5) . . ?
N1 C1 Br1 118.3(4) . . ?
C2 C1 Br1 117.9(4) . . ?
C3 C2 C1 117.3(5) . . ?
C3 C2 H2 121.4 . . ?
C1 C2 H2 121.4 . . ?
C4 C3 C2 120.5(5) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 118.9(5) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 122.0(5) . . ?
N1 C5 C6 117.6(4) . . ?
C4 C5 C6 120.3(5) . . ?
O1 C6 C5 111.4(4) . . ?
O1 C6 C7 107.2(3) . . ?
C5 C6 C7 113.1(4) . . ?
O1 C6 H6 108.3 . . ?
C5 C6 H6 108.3 . . ?
C7 C6 H6 108.3 . . ?
C8 C7 C12 118.4(5) . . ?
C8 C7 C6 119.7(5) . . ?
C12 C7 C6 121.6(4) . . ?
C7 C8 C9 121.8(5) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 H8 119.1 . . ?
C10 C9 C8 118.5(5) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
C11 C10 C9 121.7(5) . . ?
C11 C10 Br2 118.7(4) . . ?
C9 C10 Br2 119.6(4) . . ?
C10 C11 C12 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C7 C12 C11 120.2(5) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
O2 C13 Ru1 175.9(4) . . ?
O3 C14 Ru1 178.1(5) . . ?
O4 C15 Ru2 176.9(5) . . ?
O5 C16 Ru2 179.0(6) . . ?

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
C14 Ru1 Ru2 C16 -39.3(3) . . . 2 ?
C13 Ru1 Ru2 C16 48.9(2) . . . 2 ?
O1 Ru1 Ru2 C16 -139.6(2) . . . 2 ?
O1 Ru1 Ru2 C16 141.7(2) 2 . . 2 ?
N1 Ru1 Ru2 C16 -155.5(3) . . . 2 ?
Ru1 Ru1 Ru2 C16 -179.44(19) 2 . . 2 ?
C14 Ru1 Ru2 C16 142.1(7) . . . . ?
C13 Ru1 Ru2 C16 -129.7(7) . . . . ?
O1 Ru1 Ru2 C16 41.8(7) . . . . ?
O1 Ru1 Ru2 C16 -36.9(7) 2 . . . ?
N1 Ru1 Ru2 C16 25.9(7) . . . . ?
Ru1 Ru1 Ru2 C16 1.9(6) 2 . . . ?
C14 Ru1 Ru2 C15 -134.2(2) . . . 2 ?
C13 Ru1 Ru2 C15 -46.0(2) . . . 2 ?
O1 Ru1 Ru2 C15 125.5(2) . . . 2 ?
O1 Ru1 Ru2 C15 46.8(2) 2 . . 2 ?
N1 Ru1 Ru2 C15 109.6(3) . . . 2 ?
Ru1 Ru1 Ru2 C15 85.65(18) 2 . . 2 ?
C14 Ru1 Ru2 C15 53.3(2) . . . . ?
C13 Ru1 Ru2 C15 141.4(2) . . . . ?
O1 Ru1 Ru2 C15 -47.07(19) . . . . ?
O1 Ru1 Ru2 C15 -125.74(19) 2 . . . ?
N1 Ru1 Ru2 C15 -62.9(3) . . . . ?
Ru1 Ru1 Ru2 C15 -86.90(17) 2 . . . ?
C14 Ru1 Ru2 Ru1 140.18(17) . . . 2 ?
C13 Ru1 Ru2 Ru1 -131.68(16) . . . 2 ?
O1 Ru1 Ru2 Ru1 39.83(8) . . . 2 ?
O1 Ru1 Ru2 Ru1 -38.84(8) 2 . . 2 ?
N1 Ru1 Ru2 Ru1 24.0(3) . . . 2 ?
C14 Ru1 N1 C5 -94.2(4) . . . . ?
C13 Ru1 N1 C5 174.9(3) . . . . ?
O1 Ru1 N1 C5 4.9(3) . . . . ?
O1 Ru1 N1 C5 82.4(3) 2 . . . ?
Ru2 Ru1 N1 C5 21.1(5) . . . . ?
Ru1 Ru1 N1 C5 41.3(3) 2 . . . ?
C14 Ru1 N1 C1 86.2(5) . . . . ?
C13 Ru1 N1 C1 -4.6(5) . . . . ?
O1 Ru1 N1 C1 -174.6(5) . . . . ?
O1 Ru1 N1 C1 -97.2(4) 2 . . . ?
Ru2 Ru1 N1 C1 -158.5(3) . . . . ?
Ru1 Ru1 N1 C1 -138.3(4) 2 . . . ?
C14 Ru1 O1 C6 79.7(3) . . . . ?
C13 Ru1 O1 C6 -142.1(8) . . . . ?
O1 Ru1 O1 C6 -107.0(3) 2 . . . ?
N1 Ru1 O1 C6 -15.5(3) . . . . ?
Ru2 Ru1 O1 C6 171.0(3) . . . . ?
Ru1 Ru1 O1 C6 -139.1(3) 2 . . . ?
C14 Ru1 O1 Ru1 -141.18(18) . . . 2 ?
C13 Ru1 O1 Ru1 -3.0(9) . . . 2 ?
O1 Ru1 O1 Ru1 32.08(14) 2 . . 2 ?
N1 Ru1 O1 Ru1 123.58(14) . . . 2 ?
Ru2 Ru1 O1 Ru1 -49.94(7) . . . 2 ?
C5 N1 C1 C2 -1.9(8) . . . . ?
Ru1 N1 C1 C2 177.6(4) . . . . ?
C5 N1 C1 Br1 179.1(3) . . . . ?
Ru1 N1 C1 Br1 -1.3(6) . . . . ?
N1 C1 C2 C3 0.6(9) . . . . ?
Br1 C1 C2 C3 179.6(5) . . . . ?
C1 C2 C3 C4 0.7(9) . . . . ?
C2 C3 C4 C5 -0.7(9) . . . . ?
C1 N1 C5 C4 1.9(7) . . . . ?
Ru1 N1 C5 C4 -177.7(4) . . . . ?
C1 N1 C5 C6 -175.0(4) . . . . ?
Ru1 N1 C5 C6 5.4(5) . . . . ?
C3 C4 C5 N1 -0.7(8) . . . . ?
C3 C4 C5 C6 176.1(5) . . . . ?
Ru1 O1 C6 C5 22.6(5) . . . . ?
Ru1 O1 C6 C5 -99.0(4) 2 . . . ?
Ru1 O1 C6 C7 -101.6(4) . . . . ?
Ru1 O1 C6 C7 136.8(3) 2 . . . ?
N1 C5 C6 O1 -17.7(6) . . . . ?
C4 C5 C6 O1 165.4(4) . . . . ?
N1 C5 C6 C7 103.0(5) . . . . ?
C4 C5 C6 C7 -73.9(6) . . . . ?
O1 C6 C7 C8 -78.1(5) . . . . ?
C5 C6 C7 C8 158.7(4) . . . . ?
O1 C6 C7 C12 95.0(5) . . . . ?
C5 C6 C7 C12 -28.2(6) . . . . ?
C12 C7 C8 C9 -0.4(7) . . . . ?
C6 C7 C8 C9 172.9(5) . . . . ?
C7 C8 C9 C10 -0.1(8) . . . . ?
C8 C9 C10 C11 0.8(8) . . . . ?
C8 C9 C10 Br2 -179.5(4) . . . . ?
C9 C10 C11 C12 -0.8(8) . . . . ?
Br2 C10 C11 C12 179.4(4) . . . . ?
C8 C7 C12 C11 0.3(7) . . . . ?
C6 C7 C12 C11 -172.9(5) . . . . ?
C10 C11 C12 C7 0.3(8) . . . . ?
C14 Ru1 C13 O2 116(7) . . . . ?
O1 Ru1 C13 O2 -23(7) . . . . ?
O1 Ru1 C13 O2 -57(7) 2 . . . ?
N1 Ru1 C13 O2 -146(7) . . . . ?
Ru2 Ru1 C13 O2 23(7) . . . . ?
Ru1 Ru1 C13 O2 -25(7) 2 . . . ?
C13 Ru1 C14 O3 -28(17) . . . . ?
O1 Ru1 C14 O3 144(17) . . . . ?
O1 Ru1 C14 O3 71(18) 2 . . . ?
N1 Ru1 C14 O3 -139(17) . . . . ?
Ru2 Ru1 C14 O3 63(17) . . . . ?
Ru1 Ru1 C14 O3 108(17) 2 . . . ?
C16 Ru2 C15 O4 -50(11) 2 . . . ?
C16 Ru2 C15 O4 50(11) . . . . ?
C15 Ru2 C15 O4 180(100) 2 . . . ?
Ru1 Ru2 C15 O4 146(11) 2 . . . ?
Ru1 Ru2 C15 O4 -146(11) . . . . ?
C16 Ru2 C16 O5 -132(38) 2 . . . ?
C15 Ru2 C16 O5 -35(37) 2 . . . ?
C15 Ru2 C16 O5 134(37) . . . . ?
Ru1 Ru2 C16 O5 49(37) 2 . . . ?
Ru1 Ru2 C16 O5 47(38) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.856
_refine_diff_density_min         -0.783
_refine_diff_density_rms         0.109
####################################################################### 
# 
# 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_170620b
_database_code_depnum_ccdc_archive 'CCDC 1558722'
_audit_update_record             
;
2017-06-27 deposited with the CCDC.	2020-02-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H24 N2 O12 Ru3'
_chemical_formula_weight         979.78

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4233(11)
_cell_length_b                   12.1695(12)
_cell_length_c                   15.1533(14)
_cell_angle_alpha                70.4830(10)
_cell_angle_beta                 87.865(2)
_cell_angle_gamma                78.5920(10)
_cell_volume                     1945.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5561
_cell_measurement_theta_min      2.836
_cell_measurement_theta_max      27.375

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             964
_exptl_absorpt_coefficient_mu    1.211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6240
_exptl_absorpt_correction_T_max  0.7127
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9720
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.28
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6722
_reflns_number_gt                5473
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0624P)²+1.0842P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6722
_refine_ls_number_parameters     480
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0400
_refine_ls_wR_factor_ref         0.1100
_refine_ls_wR_factor_gt          0.1000
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.71270(3) 0.12768(3) 0.34137(2) 0.03147(11) Uani 1 1 d . . .
Ru2 Ru 0.76943(3) 0.21581(3) 0.12785(2) 0.03283(12) Uani 1 1 d . . .
Ru3 Ru 0.80629(4) 0.33548(3) 0.25260(3) 0.04180(13) Uani 1 1 d . . .
N1 N 0.6325(3) -0.0330(3) 0.3772(2) 0.0351(8) Uani 1 1 d . . .
N2 N 0.7376(3) 0.0945(3) 0.0559(2) 0.0393(9) Uani 1 1 d . . .
O1 O 0.6110(3) 0.1867(3) 0.2122(2) 0.0368(7) Uani 1 1 d . . .
O2 O 0.8079(4) -0.4524(3) 0.6844(3) 0.0673(11) Uani 1 1 d . . .
O3 O 0.8331(3) 0.0588(2) 0.2447(2) 0.0359(7) Uani 1 1 d . . .
O4 O 0.4924(5) 0.3180(4) -0.2979(3) 0.0896(16) Uani 1 1 d . . .
O5 O 0.5501(4) 0.2686(4) 0.4472(3) 0.0737(12) Uani 1 1 d . . .
O6 O 0.8776(4) 0.0694(4) 0.5095(3) 0.0737(12) Uani 1 1 d . . .
O7 O 0.6596(4) 0.4542(3) -0.0161(3) 0.0791(13) Uani 1 1 d . . .
O8 O 1.0102(4) 0.2451(4) 0.0401(3) 0.0791(13) Uani 1 1 d . . .
O9 O 1.0496(4) 0.1497(4) 0.2949(3) 0.0718(12) Uani 1 1 d . . .
O10 O 0.5364(4) 0.4573(4) 0.2048(4) 0.0859(14) Uani 1 1 d . . .
O11 O 0.8241(6) 0.4081(5) 0.4296(4) 0.125(2) Uani 1 1 d . . .
O12 O 0.9011(5) 0.5373(4) 0.0981(4) 0.1057(19) Uani 1 1 d . . .
C1 C 0.5423(4) -0.0416(4) 0.3304(3) 0.0400(11) Uani 1 1 d . . .
H1 H 0.5197 -0.1152 0.3504 0.048 Uiso 1 1 calc R . .
C2 C 0.4722(4) 0.0498(4) 0.2504(3) 0.0399(11) Uani 1 1 d . . .
C3 C 0.5057(4) 0.1599(4) 0.1951(3) 0.0365(10) Uani 1 1 d . . .
C4 C 0.4273(4) 0.2415(5) 0.1219(3) 0.0470(12) Uani 1 1 d . . .
H4 H 0.4486 0.3127 0.0861 0.056 Uiso 1 1 calc R . .
C5 C 0.3177(5) 0.2170(5) 0.1022(4) 0.0547(14) Uani 1 1 d . . .
H5 H 0.2676 0.2717 0.0537 0.066 Uiso 1 1 calc R . .
C6 C 0.2838(5) 0.1099(5) 0.1557(4) 0.0560(14) Uani 1 1 d . . .
H6 H 0.2111 0.0939 0.1428 0.067 Uiso 1 1 calc R . .
C7 C 0.3597(4) 0.0273(5) 0.2283(4) 0.0503(13) Uani 1 1 d . . .
H7 H 0.3370 -0.0437 0.2630 0.060 Uiso 1 1 calc R . .
C8 C 0.6819(4) -0.1398(4) 0.4565(3) 0.0354(10) Uani 1 1 d . . .
C9 C 0.6850(4) -0.1325(4) 0.5474(3) 0.0387(10) Uani 1 1 d . . .
H9 H 0.6604 -0.0592 0.5558 0.046 Uiso 1 1 calc R . .
C10 C 0.7248(4) -0.2345(4) 0.6256(3) 0.0418(11) Uani 1 1 d . . .
H10 H 0.7244 -0.2289 0.6854 0.050 Uiso 1 1 calc R . .
C11 C 0.7655(4) -0.3457(4) 0.6125(3) 0.0452(12) Uani 1 1 d . . .
C12 C 0.7634(5) -0.3530(4) 0.5215(4) 0.0525(13) Uani 1 1 d . . .
H12 H 0.7907 -0.4258 0.5127 0.063 Uiso 1 1 calc R . .
C13 C 0.7208(5) -0.2518(4) 0.4444(3) 0.0460(12) Uani 1 1 d . . .
H13 H 0.7180 -0.2581 0.3850 0.055 Uiso 1 1 calc R . .
C14 C 0.7967(6) -0.4500(5) 0.7788(4) 0.0681(17) Uani 1 1 d . . .
H14A H 0.8426 -0.3958 0.7871 0.102 Uiso 1 1 calc R . .
H14B H 0.8258 -0.5282 0.8222 0.102 Uiso 1 1 calc R . .
H14C H 0.7143 -0.4243 0.7901 0.102 Uiso 1 1 calc R . .
C15 C 0.7727(5) -0.0208(4) 0.0867(3) 0.0464(12) Uani 1 1 d . . .
H15 H 0.7511 -0.0609 0.0492 0.056 Uiso 1 1 calc R . .
C16 C 0.8428(5) -0.0961(4) 0.1740(3) 0.0447(11) Uani 1 1 d . . .
C17 C 0.8728(4) -0.0547(4) 0.2465(3) 0.0368(10) Uani 1 1 d . . .
C18 C 0.9486(5) -0.1365(4) 0.3230(4) 0.0515(13) Uani 1 1 d . . .
H18 H 0.9708 -0.1101 0.3697 0.062 Uiso 1 1 calc R . .
C19 C 0.9904(5) -0.2557(5) 0.3295(4) 0.0649(16) Uani 1 1 d . . .
H19 H 1.0392 -0.3071 0.3802 0.078 Uiso 1 1 calc R . .
C20 C 0.9588(6) -0.2973(5) 0.2598(4) 0.0677(17) Uani 1 1 d . . .
H20 H 0.9861 -0.3761 0.2640 0.081 Uiso 1 1 calc R . .
C21 C 0.8863(6) -0.2193(4) 0.1843(4) 0.0618(15) Uani 1 1 d . . .
H21 H 0.8650 -0.2478 0.1386 0.074 Uiso 1 1 calc R . .
C22 C 0.6774(4) 0.1477(4) -0.0372(3) 0.0400(11) Uani 1 1 d . . .
C23 C 0.7386(5) 0.2093(5) -0.1135(4) 0.0592(15) Uani 1 1 d . . .
H23 H 0.8183 0.2118 -0.1055 0.071 Uiso 1 1 calc R . .
C24 C 0.6803(6) 0.2684(6) -0.2035(4) 0.0685(17) Uani 1 1 d . . .
H24 H 0.7215 0.3089 -0.2541 0.082 Uiso 1 1 calc R . .
C25 C 0.5598(6) 0.2645(5) -0.2144(4) 0.0566(14) Uani 1 1 d . . .
C26 C 0.4996(5) 0.2009(5) -0.1371(4) 0.0587(14) Uani 1 1 d . . .
H26 H 0.4202 0.1972 -0.1445 0.070 Uiso 1 1 calc R . .
C27 C 0.5578(5) 0.1435(4) -0.0493(3) 0.0468(12) Uani 1 1 d . . .
H27 H 0.5168 0.1023 0.0011 0.056 Uiso 1 1 calc R . .
C28 C 0.5456(8) 0.3913(7) -0.3775(4) 0.102(3) Uani 1 1 d . . .
H28A H 0.5643 0.4574 -0.3635 0.153 Uiso 1 1 calc R . .
H28B H 0.4907 0.4202 -0.4304 0.153 Uiso 1 1 calc R . .
H28C H 0.6176 0.3453 -0.3919 0.153 Uiso 1 1 calc R . .
C29 C 0.6094(4) 0.2133(4) 0.4057(3) 0.0441(11) Uani 1 1 d . . .
C30 C 0.8175(5) 0.0879(4) 0.4442(3) 0.0446(11) Uani 1 1 d . . .
C31 C 0.7014(5) 0.3628(4) 0.0394(3) 0.0475(12) Uani 1 1 d . . .
C32 C 0.9186(5) 0.2347(4) 0.0734(3) 0.0476(12) Uani 1 1 d . . .
C33 C 0.9592(5) 0.2177(5) 0.2797(4) 0.0513(13) Uani 1 1 d . . .
C34 C 0.6356(6) 0.4125(5) 0.2228(4) 0.0573(14) Uani 1 1 d . . .
C35 C 0.8183(6) 0.3820(5) 0.3626(4) 0.0684(17) Uani 1 1 d . . .
C36 C 0.8669(6) 0.4633(5) 0.1553(4) 0.0633(16) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C30 1.871(5) . ?
Ru1 C29 1.881(5) . ?
Ru1 O1 2.144(3) . ?
Ru1 N1 2.218(3) . ?
Ru1 O3 2.226(3) . ?
Ru1 Ru3 2.8350(5) . ?
Ru1 Ru2 3.1366(5) . ?
Ru2 C31 1.878(5) . ?
Ru2 C32 1.888(5) . ?
Ru2 O3 2.144(3) . ?
Ru2 O1 2.194(3) . ?
Ru2 N2 2.196(4) . ?
Ru2 Ru3 2.8308(5) . ?
Ru3 C35 1.949(6) . ?
Ru3 C36 1.973(6) . ?
Ru3 C33 1.986(6) . ?
Ru3 C34 1.986(6) . ?
N1 C1 1.312(6) . ?
N1 C8 1.472(5) . ?
N2 C15 1.304(6) . ?
N2 C22 1.472(6) . ?
O1 C3 1.362(5) . ?
O2 C11 1.397(6) . ?
O2 C14 1.442(7) . ?
O3 C17 1.358(5) . ?
O4 C25 1.393(6) . ?
O4 C28 1.436(8) . ?
O5 C29 1.174(6) . ?
O6 C30 1.159(6) . ?
O7 C31 1.169(6) . ?
O8 C32 1.156(6) . ?
O9 C33 1.165(7) . ?
O10 C34 1.155(7) . ?
O11 C35 1.168(7) . ?
O12 C36 1.143(7) . ?
C1 C2 1.472(6) . ?
C1 H1 0.9300 . ?
C2 C7 1.439(6) . ?
C2 C3 1.440(7) . ?
C3 C4 1.415(6) . ?
C4 C5 1.408(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.405(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.401(7) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.412(6) . ?
C8 C13 1.418(6) . ?
C9 C10 1.410(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.418(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.414(7) . ?
C12 C13 1.401(7) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.487(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.431(7) . ?
C16 C21 1.440(7) . ?
C17 C18 1.431(6) . ?
C18 C19 1.406(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.399(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.390(8) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C27 1.398(7) . ?
C22 C23 1.399(7) . ?
C23 C24 1.430(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.404(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.411(8) . ?
C26 C27 1.400(7) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 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
C30 Ru1 C29 84.7(2) . . ?
C30 Ru1 O1 171.89(17) . . ?
C29 Ru1 O1 98.55(17) . . ?
C30 Ru1 N1 101.31(17) . . ?
C29 Ru1 N1 99.19(18) . . ?
O1 Ru1 N1 85.55(12) . . ?
C30 Ru1 O3 100.33(17) . . ?
C29 Ru1 O3 169.41(17) . . ?
O1 Ru1 O3 75.25(11) . . ?
N1 Ru1 O3 88.99(12) . . ?
C30 Ru1 Ru3 90.10(15) . . ?
C29 Ru1 Ru3 88.43(15) . . ?
O1 Ru1 Ru3 82.61(8) . . ?
N1 Ru1 Ru3 166.77(9) . . ?
O3 Ru1 Ru3 82.31(8) . . ?
C30 Ru1 Ru2 128.08(16) . . ?
C29 Ru1 Ru2 126.77(15) . . ?
O1 Ru1 Ru2 44.34(8) . . ?
N1 Ru1 Ru2 110.70(9) . . ?
O3 Ru1 Ru2 43.11(7) . . ?
Ru3 Ru1 Ru2 56.321(12) . . ?
C31 Ru2 C32 88.3(2) . . ?
C31 Ru2 O3 171.12(17) . . ?
C32 Ru2 O3 97.38(17) . . ?
C31 Ru2 O1 97.68(18) . . ?
C32 Ru2 O1 171.01(17) . . ?
O3 Ru2 O1 75.89(11) . . ?
C31 Ru2 N2 100.30(18) . . ?
C32 Ru2 N2 94.25(19) . . ?
O3 Ru2 N2 86.11(12) . . ?
O1 Ru2 N2 91.26(13) . . ?
C31 Ru2 Ru3 89.26(15) . . ?
C32 Ru2 Ru3 91.58(16) . . ?
O3 Ru2 Ru3 83.81(8) . . ?
O1 Ru2 Ru3 81.86(8) . . ?
N2 Ru2 Ru3 168.92(10) . . ?
C31 Ru2 Ru1 126.03(15) . . ?
C32 Ru2 Ru1 127.98(15) . . ?
O3 Ru2 Ru1 45.17(8) . . ?
O1 Ru2 Ru1 43.06(7) . . ?
N2 Ru2 Ru1 112.78(10) . . ?
Ru3 Ru2 Ru1 56.448(13) . . ?
C35 Ru3 C36 101.1(3) . . ?
C35 Ru3 C33 95.0(3) . . ?
C36 Ru3 C33 96.6(2) . . ?
C35 Ru3 C34 95.5(3) . . ?
C36 Ru3 C34 94.4(3) . . ?
C33 Ru3 C34 163.0(2) . . ?
C35 Ru3 Ru2 164.87(18) . . ?
C36 Ru3 Ru2 94.01(17) . . ?
C33 Ru3 Ru2 82.15(15) . . ?
C34 Ru3 Ru2 84.23(16) . . ?
C35 Ru3 Ru1 97.68(18) . . ?
C36 Ru3 Ru1 161.24(17) . . ?
C33 Ru3 Ru1 81.64(15) . . ?
C34 Ru3 Ru1 83.81(17) . . ?
Ru2 Ru3 Ru1 67.231(14) . . ?
C1 N1 C8 115.7(4) . . ?
C1 N1 Ru1 124.0(3) . . ?
C8 N1 Ru1 120.2(3) . . ?
C15 N2 C22 117.0(4) . . ?
C15 N2 Ru2 125.4(3) . . ?
C22 N2 Ru2 117.5(3) . . ?
C3 O1 Ru1 128.7(3) . . ?
C3 O1 Ru2 132.3(3) . . ?
Ru1 O1 Ru2 92.61(11) . . ?
C11 O2 C14 116.7(4) . . ?
C17 O3 Ru2 129.3(3) . . ?
C17 O3 Ru1 129.8(3) . . ?
Ru2 O3 Ru1 91.72(11) . . ?
C25 O4 C28 118.3(6) . . ?
N1 C1 C2 128.6(4) . . ?
N1 C1 H1 115.7 . . ?
C2 C1 H1 115.7 . . ?
C7 C2 C3 118.1(4) . . ?
C7 C2 C1 116.5(4) . . ?
C3 C2 C1 125.3(4) . . ?
O1 C3 C4 119.8(4) . . ?
O1 C3 C2 121.1(4) . . ?
C4 C3 C2 119.1(4) . . ?
C5 C4 C3 121.4(5) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C6 C5 C4 120.1(5) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C7 C6 C5 119.8(5) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C6 C7 C2 121.5(5) . . ?
C6 C7 H7 119.3 . . ?
C2 C7 H7 119.3 . . ?
C9 C8 C13 118.9(4) . . ?
C9 C8 N1 119.7(4) . . ?
C13 C8 N1 121.3(4) . . ?
C10 C9 C8 121.1(4) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C11 119.4(4) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
O2 C11 C12 115.8(4) . . ?
O2 C11 C10 124.6(4) . . ?
C12 C11 C10 119.6(4) . . ?
C13 C12 C11 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C8 120.3(4) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
O2 C14 H14A 109.5 . . ?
O2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C16 128.3(4) . . ?
N2 C15 H15 115.9 . . ?
C16 C15 H15 115.9 . . ?
C17 C16 C21 118.0(5) . . ?
C17 C16 C15 125.0(4) . . ?
C21 C16 C15 117.0(4) . . ?
O3 C17 C18 119.3(4) . . ?
O3 C17 C16 122.5(4) . . ?
C18 C17 C16 118.2(4) . . ?
C19 C18 C17 121.8(5) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C20 C19 C18 120.1(5) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C21 C20 C19 119.3(5) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C16 122.5(5) . . ?
C20 C21 H21 118.7 . . ?
C16 C21 H21 118.7 . . ?
C27 C22 C23 119.5(4) . . ?
C27 C22 N2 121.0(4) . . ?
C23 C22 N2 119.4(4) . . ?
C22 C23 C24 120.8(5) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 119.1(5) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
O4 C25 C24 125.0(5) . . ?
O4 C25 C26 115.5(5) . . ?
C24 C25 C26 119.5(5) . . ?
C27 C26 C25 120.8(5) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C22 C27 C26 120.3(5) . . ?
C22 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
O4 C28 H28A 109.5 . . ?
O4 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O4 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O5 C29 Ru1 176.4(4) . . ?
O6 C30 Ru1 175.4(5) . . ?
O7 C31 Ru2 179.6(5) . . ?
O8 C32 Ru2 179.3(5) . . ?
O9 C33 Ru3 179.2(5) . . ?
O10 C34 Ru3 179.5(5) . . ?
O11 C35 Ru3 178.6(6) . . ?
O12 C36 Ru3 179.1(6) . . ?

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
C30 Ru1 Ru2 C31 -118.6(3) . . . . ?
C29 Ru1 Ru2 C31 -2.5(3) . . . . ?
O1 Ru1 Ru2 C31 57.6(2) . . . . ?
N1 Ru1 Ru2 C31 117.2(2) . . . . ?
O3 Ru1 Ru2 C31 -178.4(2) . . . . ?
Ru3 Ru1 Ru2 C31 -59.9(2) . . . . ?
C30 Ru1 Ru2 C32 2.9(3) . . . . ?
C29 Ru1 Ru2 C32 119.0(3) . . . . ?
O1 Ru1 Ru2 C32 179.0(2) . . . . ?
N1 Ru1 Ru2 C32 -121.3(2) . . . . ?
O3 Ru1 Ru2 C32 -56.9(2) . . . . ?
Ru3 Ru1 Ru2 C32 61.6(2) . . . . ?
C30 Ru1 Ru2 O3 59.8(2) . . . . ?
C29 Ru1 Ru2 O3 175.9(2) . . . . ?
O1 Ru1 Ru2 O3 -124.09(16) . . . . ?
N1 Ru1 Ru2 O3 -64.45(15) . . . . ?
Ru3 Ru1 Ru2 O3 118.47(12) . . . . ?
C30 Ru1 Ru2 O1 -176.1(2) . . . . ?
C29 Ru1 Ru2 O1 -60.1(2) . . . . ?
N1 Ru1 Ru2 O1 59.64(15) . . . . ?
O3 Ru1 Ru2 O1 124.09(16) . . . . ?
Ru3 Ru1 Ru2 O1 -117.44(11) . . . . ?
C30 Ru1 Ru2 N2 118.3(2) . . . . ?
C29 Ru1 Ru2 N2 -125.6(2) . . . . ?
O1 Ru1 Ru2 N2 -65.50(16) . . . . ?
N1 Ru1 Ru2 N2 -5.86(15) . . . . ?
O3 Ru1 Ru2 N2 58.59(16) . . . . ?
Ru3 Ru1 Ru2 N2 177.06(11) . . . . ?
C30 Ru1 Ru2 Ru3 -58.71(19) . . . . ?
C29 Ru1 Ru2 Ru3 57.38(18) . . . . ?
O1 Ru1 Ru2 Ru3 117.44(11) . . . . ?
N1 Ru1 Ru2 Ru3 177.08(10) . . . . ?
O3 Ru1 Ru2 Ru3 -118.47(12) . . . . ?
C31 Ru2 Ru3 C35 139.6(8) . . . . ?
C32 Ru2 Ru3 C35 -132.1(8) . . . . ?
O3 Ru2 Ru3 C35 -34.9(8) . . . . ?
O1 Ru2 Ru3 C35 41.7(8) . . . . ?
N2 Ru2 Ru3 C35 -10.3(10) . . . . ?
Ru1 Ru2 Ru3 C35 4.0(8) . . . . ?
C31 Ru2 Ru3 C36 -44.1(3) . . . . ?
C32 Ru2 Ru3 C36 44.2(2) . . . . ?
O3 Ru2 Ru3 C36 141.5(2) . . . . ?
O1 Ru2 Ru3 C36 -142.0(2) . . . . ?
N2 Ru2 Ru3 C36 166.0(6) . . . . ?
Ru1 Ru2 Ru3 C36 -179.69(19) . . . . ?
C31 Ru2 Ru3 C33 -140.2(2) . . . . ?
C32 Ru2 Ru3 C33 -51.9(2) . . . . ?
O3 Ru2 Ru3 C33 45.35(18) . . . . ?
O1 Ru2 Ru3 C33 121.93(17) . . . . ?
N2 Ru2 Ru3 C33 69.9(6) . . . . ?
Ru1 Ru2 Ru3 C33 84.19(15) . . . . ?
C31 Ru2 Ru3 C34 49.9(2) . . . . ?
C32 Ru2 Ru3 C34 138.2(2) . . . . ?
O3 Ru2 Ru3 C34 -124.52(19) . . . . ?
O1 Ru2 Ru3 C34 -47.95(19) . . . . ?
N2 Ru2 Ru3 C34 -100.0(6) . . . . ?
Ru1 Ru2 Ru3 C34 -85.69(17) . . . . ?
C31 Ru2 Ru3 Ru1 135.61(16) . . . . ?
C32 Ru2 Ru3 Ru1 -136.09(15) . . . . ?
O3 Ru2 Ru3 Ru1 -38.84(8) . . . . ?
O1 Ru2 Ru3 Ru1 37.74(8) . . . . ?
N2 Ru2 Ru3 Ru1 -14.3(5) . . . . ?
C30 Ru1 Ru3 C35 -41.2(3) . . . . ?
C29 Ru1 Ru3 C35 43.5(3) . . . . ?
O1 Ru1 Ru3 C35 142.3(2) . . . . ?
N1 Ru1 Ru3 C35 169.0(5) . . . . ?
O3 Ru1 Ru3 C35 -141.6(2) . . . . ?
Ru2 Ru1 Ru3 C35 -179.0(2) . . . . ?
C30 Ru1 Ru3 C36 138.7(6) . . . . ?
C29 Ru1 Ru3 C36 -136.6(6) . . . . ?
O1 Ru1 Ru3 C36 -37.8(6) . . . . ?
N1 Ru1 Ru3 C36 -11.0(7) . . . . ?
O3 Ru1 Ru3 C36 38.3(6) . . . . ?
Ru2 Ru1 Ru3 C36 1.0(6) . . . . ?
C30 Ru1 Ru3 C33 52.8(2) . . . . ?
C29 Ru1 Ru3 C33 137.5(2) . . . . ?
O1 Ru1 Ru3 C33 -123.66(17) . . . . ?
N1 Ru1 Ru3 C33 -97.0(4) . . . . ?
O3 Ru1 Ru3 C33 -47.64(17) . . . . ?
Ru2 Ru1 Ru3 C33 -84.95(15) . . . . ?
C30 Ru1 Ru3 C34 -135.9(2) . . . . ?
C29 Ru1 Ru3 C34 -51.2(2) . . . . ?
O1 Ru1 Ru3 C34 47.62(18) . . . . ?
N1 Ru1 Ru3 C34 74.3(4) . . . . ?
O3 Ru1 Ru3 C34 123.64(18) . . . . ?
Ru2 Ru1 Ru3 C34 86.33(16) . . . . ?
C30 Ru1 Ru3 Ru2 137.73(16) . . . . ?
C29 Ru1 Ru3 Ru2 -137.54(15) . . . . ?
O1 Ru1 Ru3 Ru2 -38.71(8) . . . . ?
N1 Ru1 Ru3 Ru2 -12.0(4) . . . . ?
O3 Ru1 Ru3 Ru2 37.31(8) . . . . ?
C30 Ru1 N1 C1 171.9(4) . . . . ?
C29 Ru1 N1 C1 85.5(4) . . . . ?
O1 Ru1 N1 C1 -12.5(3) . . . . ?
O3 Ru1 N1 C1 -87.8(4) . . . . ?
Ru3 Ru1 N1 C1 -39.1(7) . . . . ?
Ru2 Ru1 N1 C1 -49.7(4) . . . . ?
C30 Ru1 N1 C8 -9.5(3) . . . . ?
C29 Ru1 N1 C8 -95.9(3) . . . . ?
O1 Ru1 N1 C8 166.1(3) . . . . ?
O3 Ru1 N1 C8 90.9(3) . . . . ?
Ru3 Ru1 N1 C8 139.6(3) . . . . ?
Ru2 Ru1 N1 C8 128.9(3) . . . . ?
C31 Ru2 N2 C15 177.2(4) . . . . ?
C32 Ru2 N2 C15 88.1(4) . . . . ?
O3 Ru2 N2 C15 -9.0(4) . . . . ?
O1 Ru2 N2 C15 -84.8(4) . . . . ?
Ru3 Ru2 N2 C15 -33.5(8) . . . . ?
Ru1 Ru2 N2 C15 -46.4(4) . . . . ?
C31 Ru2 N2 C22 0.6(4) . . . . ?
C32 Ru2 N2 C22 -88.5(3) . . . . ?
O3 Ru2 N2 C22 174.4(3) . . . . ?
O1 Ru2 N2 C22 98.7(3) . . . . ?
Ru3 Ru2 N2 C22 150.0(4) . . . . ?
Ru1 Ru2 N2 C22 137.1(3) . . . . ?
C30 Ru1 O1 C3 176.2(12) . . . . ?
C29 Ru1 O1 C3 -70.4(4) . . . . ?
N1 Ru1 O1 C3 28.2(3) . . . . ?
O3 Ru1 O1 C3 118.4(3) . . . . ?
Ru3 Ru1 O1 C3 -157.7(3) . . . . ?
Ru2 Ru1 O1 C3 154.2(4) . . . . ?
C30 Ru1 O1 Ru2 22.0(13) . . . . ?
C29 Ru1 O1 Ru2 135.41(17) . . . . ?
N1 Ru1 O1 Ru2 -125.94(13) . . . . ?
O3 Ru1 O1 Ru2 -35.82(10) . . . . ?
Ru3 Ru1 O1 Ru2 48.13(8) . . . . ?
C31 Ru2 O1 C3 70.9(4) . . . . ?
C32 Ru2 O1 C3 -157.5(11) . . . . ?
O3 Ru2 O1 C3 -115.4(4) . . . . ?
N2 Ru2 O1 C3 -29.7(4) . . . . ?
Ru3 Ru2 O1 C3 159.0(3) . . . . ?
Ru1 Ru2 O1 C3 -152.6(4) . . . . ?
C31 Ru2 O1 Ru1 -136.48(17) . . . . ?
C32 Ru2 O1 Ru1 -4.9(12) . . . . ?
O3 Ru2 O1 Ru1 37.27(10) . . . . ?
N2 Ru2 O1 Ru1 122.95(13) . . . . ?
Ru3 Ru2 O1 Ru1 -48.34(8) . . . . ?
C31 Ru2 O3 C17 157.2(12) . . . . ?
C32 Ru2 O3 C17 -73.2(4) . . . . ?
O1 Ru2 O3 C17 112.9(4) . . . . ?
N2 Ru2 O3 C17 20.6(3) . . . . ?
Ru3 Ru2 O3 C17 -164.0(3) . . . . ?
Ru1 Ru2 O3 C17 148.5(4) . . . . ?
C31 Ru2 O3 Ru1 8.6(12) . . . . ?
C32 Ru2 O3 Ru1 138.26(18) . . . . ?
O1 Ru2 O3 Ru1 -35.66(10) . . . . ?
N2 Ru2 O3 Ru1 -127.94(13) . . . . ?
Ru3 Ru2 O3 Ru1 47.47(8) . . . . ?
C30 Ru1 O3 C17 75.5(4) . . . . ?
C29 Ru1 O3 C17 -166.6(8) . . . . ?
O1 Ru1 O3 C17 -111.5(4) . . . . ?
N1 Ru1 O3 C17 -25.8(3) . . . . ?
Ru3 Ru1 O3 C17 164.2(3) . . . . ?
Ru2 Ru1 O3 C17 -148.2(4) . . . . ?
C30 Ru1 O3 Ru2 -136.27(17) . . . . ?
C29 Ru1 O3 Ru2 -18.4(9) . . . . ?
O1 Ru1 O3 Ru2 36.76(11) . . . . ?
N1 Ru1 O3 Ru2 122.43(13) . . . . ?
Ru3 Ru1 O3 Ru2 -47.57(8) . . . . ?
C8 N1 C1 C2 178.0(4) . . . . ?
Ru1 N1 C1 C2 -3.3(7) . . . . ?
N1 C1 C2 C7 -164.1(5) . . . . ?
N1 C1 C2 C3 14.1(7) . . . . ?
Ru1 O1 C3 C4 152.6(3) . . . . ?
Ru2 O1 C3 C4 -63.5(5) . . . . ?
Ru1 O1 C3 C2 -27.2(6) . . . . ?
Ru2 O1 C3 C2 116.7(4) . . . . ?
C7 C2 C3 O1 -179.9(4) . . . . ?
C1 C2 C3 O1 1.9(7) . . . . ?
C7 C2 C3 C4 0.3(6) . . . . ?
C1 C2 C3 C4 -177.9(4) . . . . ?
O1 C3 C4 C5 -179.9(4) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
C3 C4 C5 C6 0.2(8) . . . . ?
C4 C5 C6 C7 -0.4(8) . . . . ?
C5 C6 C7 C2 0.5(8) . . . . ?
C3 C2 C7 C6 -0.5(7) . . . . ?
C1 C2 C7 C6 177.8(4) . . . . ?
C1 N1 C8 C9 -121.9(5) . . . . ?
Ru1 N1 C8 C9 59.3(5) . . . . ?
C1 N1 C8 C13 54.7(6) . . . . ?
Ru1 N1 C8 C13 -124.0(4) . . . . ?
C13 C8 C9 C10 -0.6(7) . . . . ?
N1 C8 C9 C10 176.1(4) . . . . ?
C8 C9 C10 C11 1.7(7) . . . . ?
C14 O2 C11 C12 -172.4(5) . . . . ?
C14 O2 C11 C10 7.1(8) . . . . ?
C9 C10 C11 O2 179.4(5) . . . . ?
C9 C10 C11 C12 -1.2(7) . . . . ?
O2 C11 C12 C13 179.0(5) . . . . ?
C10 C11 C12 C13 -0.5(8) . . . . ?
C11 C12 C13 C8 1.6(8) . . . . ?
C9 C8 C13 C12 -1.1(7) . . . . ?
N1 C8 C13 C12 -177.7(4) . . . . ?
C22 N2 C15 C16 175.1(5) . . . . ?
Ru2 N2 C15 C16 -1.5(7) . . . . ?
N2 C15 C16 C17 7.8(9) . . . . ?
N2 C15 C16 C21 -170.3(5) . . . . ?
Ru2 O3 C17 C18 158.1(3) . . . . ?
Ru1 O3 C17 C18 -64.7(5) . . . . ?
Ru2 O3 C17 C16 -21.2(6) . . . . ?
Ru1 O3 C17 C16 115.9(4) . . . . ?
C21 C16 C17 O3 -177.9(4) . . . . ?
C15 C16 C17 O3 4.0(7) . . . . ?
C21 C16 C17 C18 2.7(7) . . . . ?
C15 C16 C17 C18 -175.3(5) . . . . ?
O3 C17 C18 C19 178.7(5) . . . . ?
C16 C17 C18 C19 -1.9(8) . . . . ?
C17 C18 C19 C20 0.4(9) . . . . ?
C18 C19 C20 C21 0.3(9) . . . . ?
C19 C20 C21 C16 0.7(9) . . . . ?
C17 C16 C21 C20 -2.2(8) . . . . ?
C15 C16 C21 C20 176.0(5) . . . . ?
C15 N2 C22 C27 77.9(6) . . . . ?
Ru2 N2 C22 C27 -105.2(4) . . . . ?
C15 N2 C22 C23 -105.8(6) . . . . ?
Ru2 N2 C22 C23 71.1(5) . . . . ?
C27 C22 C23 C24 0.3(8) . . . . ?
N2 C22 C23 C24 -176.0(5) . . . . ?
C22 C23 C24 C25 0.4(9) . . . . ?
C28 O4 C25 C24 -5.5(9) . . . . ?
C28 O4 C25 C26 175.5(6) . . . . ?
C23 C24 C25 O4 180.0(5) . . . . ?
C23 C24 C25 C26 -1.0(9) . . . . ?
O4 C25 C26 C27 -179.9(5) . . . . ?
C24 C25 C26 C27 1.1(8) . . . . ?
C23 C22 C27 C26 -0.3(7) . . . . ?
N2 C22 C27 C26 175.9(4) . . . . ?
C25 C26 C27 C22 -0.4(8) . . . . ?
C30 Ru1 C29 O5 40(8) . . . . ?
O1 Ru1 C29 O5 -132(8) . . . . ?
N1 Ru1 C29 O5 141(8) . . . . ?
O3 Ru1 C29 O5 -79(8) . . . . ?
Ru3 Ru1 C29 O5 -50(8) . . . . ?
Ru2 Ru1 C29 O5 -95(8) . . . . ?
C29 Ru1 C30 O6 -16(6) . . . . ?
O1 Ru1 C30 O6 99(6) . . . . ?
N1 Ru1 C30 O6 -114(6) . . . . ?
O3 Ru1 C30 O6 155(6) . . . . ?
Ru3 Ru1 C30 O6 73(6) . . . . ?
Ru2 Ru1 C30 O6 118(6) . . . . ?
C32 Ru2 C31 O7 21(91) . . . . ?
O3 Ru2 C31 O7 151(100) . . . . ?
O1 Ru2 C31 O7 -166(100) . . . . ?
N2 Ru2 C31 O7 -73(91) . . . . ?
Ru3 Ru2 C31 O7 113(91) . . . . ?
Ru1 Ru2 C31 O7 159(100) . . . . ?
C31 Ru2 C32 O8 -137(38) . . . . ?
O3 Ru2 C32 O8 50(38) . . . . ?
O1 Ru2 C32 O8 91(38) . . . . ?
N2 Ru2 C32 O8 -37(38) . . . . ?
Ru3 Ru2 C32 O8 134(38) . . . . ?
Ru1 Ru2 C32 O8 87(38) . . . . ?
C35 Ru3 C33 O9 -94(37) . . . . ?
C36 Ru3 C33 O9 8(37) . . . . ?
C34 Ru3 C33 O9 138(36) . . . . ?
Ru2 Ru3 C33 O9 101(37) . . . . ?
Ru1 Ru3 C33 O9 169(100) . . . . ?
C35 Ru3 C34 O10 156(57) . . . . ?
C36 Ru3 C34 O10 55(57) . . . . ?
C33 Ru3 C34 O10 -75(57) . . . . ?
Ru2 Ru3 C34 O10 -39(57) . . . . ?
Ru1 Ru3 C34 O10 -106(57) . . . . ?
C36 Ru3 C35 O11 169(29) . . . . ?
C33 Ru3 C35 O11 -93(29) . . . . ?
C34 Ru3 C35 O11 74(29) . . . . ?
Ru2 Ru3 C35 O11 -14(29) . . . . ?
Ru1 Ru3 C35 O11 -11(29) . . . . ?
C35 Ru3 C36 O12 -148(48) . . . . ?
C33 Ru3 C36 O12 115(48) . . . . ?
C34 Ru3 C36 O12 -52(48) . . . . ?
Ru2 Ru3 C36 O12 33(48) . . . . ?
Ru1 Ru3 C36 O12 32(49) . . . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         0.924
_refine_diff_density_min         -1.033
_refine_diff_density_rms         0.110
