# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 
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data_ap3ol
_database_code_depnum_ccdc_archive 'CCDC 1877756'
loop_
_audit_author_name
_audit_author_address
'Vladimir N. Nesterov'
;University of North Texas, Denton
United States of America
;
_audit_update_record             
;
2018-11-08 deposited with the CCDC.	2019-06-19 downloaded from the CCDC.
;
_audit_creation_date             2018-04-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H6 N2 O15 Ru5'
_chemical_formula_sum            'C21 H6 N2 O15 Ru5'
_chemical_formula_weight         1031.63
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   9.2594(5)
_cell_length_b                   14.0086(8)
_cell_length_c                   23.9807(14)
_cell_angle_alpha                75.588(2)
_cell_angle_beta                 79.665(2)
_cell_angle_gamma                77.224(2)
_cell_volume                     2912.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8324
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   0.819
_shelx_estimated_absorpt_T_min   0.422
_exptl_absorpt_coefficient_mu    2.606
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0973 before and 0.0436 after correction.
The Ratio of minimum to maximum transmission is 0.6995.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.353
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.5216
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0118
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            151823
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.361
_diffrn_reflns_theta_min         2.275
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13586
_reflns_number_total             14508
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.00129(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     792
_refine_ls_number_reflns         14508
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0163
_refine_ls_R_factor_gt           0.0140
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0107P)²+1.6791P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0298
_refine_ls_wR_factor_ref         0.0305
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C16(H16), C17(H17), C37(H37), C38(H38)
2.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C21(H21), C40(H40), C42(H42)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.80728(2) 0.32884(2) 0.58775(2) 0.01557(3) Uani 1 1 d . . . . .
O1 O 1.10254(15) 0.39223(11) 0.53201(6) 0.0381(3) Uani 1 1 d . . . . .
N1 N 0.83393(14) 0.25398(9) 0.42421(5) 0.0152(2) Uani 1 1 d . . . . .
C1 C 0.99361(19) 0.36843(13) 0.55319(7) 0.0233(3) Uani 1 1 d . . . . .
Ru2 Ru 0.91471(2) 0.12374(2) 0.59734(2) 0.01434(3) Uani 1 1 d . . . . .
N2 N 0.66613(14) 0.21162(9) 0.53318(5) 0.0157(2) Uani 1 1 d . . . . .
C2 C 0.69906(18) 0.44432(13) 0.54053(7) 0.0219(3) Uani 1 1 d . . . . .
O2 O 0.63864(14) 0.51312(10) 0.51249(6) 0.0323(3) Uani 1 1 d . . . . .
O3 O 0.76330(18) 0.41254(12) 0.69862(6) 0.0432(4) Uani 1 1 d . . . . .
Ru3 Ru 0.60837(2) 0.18242(2) 0.62311(2) 0.01425(3) Uani 1 1 d . . . . .
C3 C 0.7848(2) 0.38403(13) 0.65736(8) 0.0258(4) Uani 1 1 d . . . . .
Ru4 Ru 0.89012(2) 0.30825(2) 0.33414(2) 0.01489(3) Uani 1 1 d . . . . .
C4 C 1.12181(19) 0.12125(13) 0.56602(7) 0.0239(3) Uani 1 1 d . . . . .
O4 O 1.24450(15) 0.11779(12) 0.54870(7) 0.0421(4) Uani 1 1 d . . . . .
O5 O 0.88053(16) -0.04960(10) 0.54904(6) 0.0330(3) Uani 1 1 d . . . . .
Ru5 Ru 0.58480(2) 0.33621(2) 0.35773(2) 0.01688(3) Uani 1 1 d . . . . .
C5 C 0.89366(18) 0.01506(12) 0.56741(7) 0.0207(3) Uani 1 1 d . . . . .
O6 O 0.97834(15) -0.01305(10) 0.71536(5) 0.0329(3) Uani 1 1 d . . . . .
C6 C 0.95436(18) 0.03928(12) 0.67254(7) 0.0206(3) Uani 1 1 d . . . . .
C7 C 0.39439(19) 0.23971(12) 0.62817(7) 0.0228(3) Uani 1 1 d . . . . .
O7 O 0.27013(15) 0.26637(11) 0.63436(7) 0.0405(3) Uani 1 1 d . . . . .
C8 C 0.6153(2) 0.16323(13) 0.70389(7) 0.0236(3) Uani 1 1 d . . . . .
O8 O 0.62400(19) 0.15769(12) 0.75116(6) 0.0423(4) Uani 1 1 d . . . . .
O9 O 0.56127(15) -0.02767(9) 0.62879(6) 0.0312(3) Uani 1 1 d . . . . .
C9 C 0.58284(18) 0.04915(12) 0.62772(7) 0.0195(3) Uani 1 1 d . . . . .
C10 C 0.94245(19) 0.42816(13) 0.34682(7) 0.0228(3) Uani 1 1 d . . . . .
O10 O 0.96610(17) 0.49809(11) 0.35584(7) 0.0446(4) Uani 1 1 d . . . . .
O11 O 0.89674(16) 0.38137(11) 0.20417(5) 0.0337(3) Uani 1 1 d . . . . .
C11 C 0.89622(18) 0.35548(13) 0.25300(7) 0.0218(3) Uani 1 1 d . . . . .
O12 O 1.20880(17) 0.19111(13) 0.32089(8) 0.0518(4) Uani 1 1 d . . . . .
C12 C 1.0900(2) 0.23297(14) 0.32671(8) 0.0271(4) Uani 1 1 d . . . . .
O13 O 0.61507(16) 0.53203(10) 0.38416(7) 0.0387(3) Uani 1 1 d . . . . .
C13 C 0.60388(18) 0.45874(13) 0.37443(8) 0.0234(3) Uani 1 1 d . . . . .
O14 O 0.52366(17) 0.43529(12) 0.23379(6) 0.0418(4) Uani 1 1 d . . . . .
C14 C 0.5429(2) 0.39754(14) 0.28009(8) 0.0265(4) Uani 1 1 d . . . . .
O15 O 0.25817(16) 0.33000(14) 0.40799(7) 0.0499(4) Uani 1 1 d . . . . .
C15 C 0.3798(2) 0.33029(15) 0.38880(8) 0.0298(4) Uani 1 1 d . . . . .
C16 C 0.75643(19) 0.20920(12) 0.33229(7) 0.0207(3) Uani 1 1 d . . . . .
H16 H 0.756273 0.183032 0.297131 0.025 Uiso 1 1 calc R . . . .
C17 C 0.67517(19) 0.17663(12) 0.38590(7) 0.0206(3) Uani 1 1 d . . . . .
H17 H 0.614112 0.123044 0.393321 0.025 Uiso 1 1 calc R . . . .
C18 C 0.68934(17) 0.22714(11) 0.43022(7) 0.0170(3) Uani 1 1 d . . . . .
C19 C 0.61112(17) 0.20697(11) 0.48865(7) 0.0176(3) Uani 1 1 d . . . . .
H19 H 0.515206 0.189604 0.494253 0.021 Uiso 1 1 calc R . . . .
C20 C 0.81376(16) 0.23310(11) 0.52922(6) 0.0154(3) Uani 1 1 d . . . . .
C21 C 0.88748(16) 0.25611(11) 0.46993(6) 0.0155(3) Uani 1 1 d . . . . .
H21 H 0.982893 0.274209 0.464360 0.019 Uiso 1 1 calc R . . . .
N3 N 0.86113(13) 0.29112(9) -0.01370(5) 0.0130(2) Uani 1 1 d . . . . .
N4 N 0.60578(13) 0.23667(9) 0.05705(5) 0.0130(2) Uani 1 1 d . . . . .
Ru6 Ru 0.81133(2) 0.22088(2) -0.11443(2) 0.01494(3) Uani 1 1 d . . . . .
Ru7 Ru 0.71717(2) 0.42140(2) -0.10764(2) 0.01345(3) Uani 1 1 d . . . . .
Ru8 Ru 1.00830(2) 0.33633(2) -0.08718(2) 0.01308(3) Uani 1 1 d . . . . .
Ru9 Ru 0.75396(2) 0.10703(2) 0.15367(2) 0.01518(3) Uani 1 1 d . . . . .
Ru10 Ru 0.46664(2) 0.16467(2) 0.12721(2) 0.01326(3) Uani 1 1 d . . . . .
O16 O 0.96710(17) 0.17221(12) -0.23182(6) 0.0421(4) Uani 1 1 d . . . . .
O17 O 0.50280(14) 0.20118(11) -0.13222(6) 0.0332(3) Uani 1 1 d . . . . .
O18 O 0.88599(15) 0.01075(10) -0.03955(6) 0.0322(3) Uani 1 1 d . . . . .
O19 O 0.38419(14) 0.44634(11) -0.11511(6) 0.0347(3) Uani 1 1 d . . . . .
O20 O 0.79092(16) 0.58172(11) -0.21636(6) 0.0374(3) Uani 1 1 d . . . . .
O21 O 0.66393(15) 0.54910(10) -0.01778(6) 0.0315(3) Uani 1 1 d . . . . .
O22 O 1.16000(18) 0.39266(12) -0.21097(6) 0.0453(4) Uani 1 1 d . . . . .
C22 C 0.90726(19) 0.18877(13) -0.18921(8) 0.0249(3) Uani 1 1 d . . . . .
C23 C 0.61701(19) 0.20637(13) -0.12462(7) 0.0214(3) Uani 1 1 d . . . . .
O23 O 1.04777(14) 0.53135(9) -0.06346(6) 0.0261(3) Uani 1 1 d . . . . .
O24 O 1.27870(14) 0.21612(10) -0.02676(6) 0.0315(3) Uani 1 1 d . . . . .
C24 C 0.85807(18) 0.08844(13) -0.06720(7) 0.0216(3) Uani 1 1 d . . . . .
C25 C 0.50776(18) 0.43764(12) -0.11297(7) 0.0203(3) Uani 1 1 d . . . . .
O25 O 0.69857(16) -0.02557(12) 0.27455(6) 0.0440(4) Uani 1 1 d . . . . .
O26 O 0.76760(15) -0.05647(10) 0.08836(7) 0.0381(3) Uani 1 1 d . . . . .
C26 C 0.76313(18) 0.52311(13) -0.17634(7) 0.0217(3) Uani 1 1 d . . . . .
O27 O 1.09009(14) 0.08041(11) 0.15465(6) 0.0351(3) Uani 1 1 d . . . . .
C27 C 0.68530(17) 0.50339(12) -0.05257(7) 0.0194(3) Uani 1 1 d . . . . .
C28 C 1.10507(19) 0.37342(13) -0.16443(8) 0.0244(3) Uani 1 1 d . . . . .
O28 O 0.33681(15) 0.05561(11) 0.24387(6) 0.0345(3) Uani 1 1 d . . . . .
O29 O 0.42174(15) 0.01438(10) 0.05961(6) 0.0338(3) Uani 1 1 d . . . . .
C29 C 1.02644(17) 0.45976(12) -0.07144(7) 0.0175(3) Uani 1 1 d . . . . .
O30 O 0.16539(15) 0.30220(10) 0.11346(7) 0.0393(3) Uani 1 1 d . . . . .
C30 C 1.18304(17) 0.25710(12) -0.05194(7) 0.0188(3) Uani 1 1 d . . . . .
C31 C 0.72014(19) 0.02417(14) 0.22990(8) 0.0267(4) Uani 1 1 d . . . . .
C32 C 0.76057(18) 0.00493(12) 0.11273(8) 0.0231(3) Uani 1 1 d . . . . .
C33 C 0.96424(19) 0.09279(13) 0.15583(7) 0.0227(3) Uani 1 1 d . . . . .
C34 C 0.38328(18) 0.09500(12) 0.19925(7) 0.0207(3) Uani 1 1 d . . . . .
C35 C 0.43673(17) 0.07037(12) 0.08391(7) 0.0195(3) Uani 1 1 d . . . . .
C36 C 0.28046(18) 0.25342(12) 0.11654(7) 0.0222(3) Uani 1 1 d . . . . .
C37 C 0.57054(18) 0.23375(12) 0.17125(7) 0.0189(3) Uani 1 1 d . . . . .
H37 H 0.530766 0.245024 0.211165 0.023 Uiso 1 1 calc R . . . .
C38 C 0.69445(18) 0.27043(12) 0.13806(7) 0.0189(3) Uani 1 1 d . . . . .
H38 H 0.749964 0.312762 0.151151 0.023 Uiso 1 1 calc R . . . .
C39 C 0.73272(16) 0.24279(11) 0.08206(6) 0.0142(3) Uani 1 1 d . . . . .
C40 C 0.86033(16) 0.27177(11) 0.04152(6) 0.0145(3) Uani 1 1 d . . . . .
H40 H 0.946230 0.276569 0.056427 0.017 Uiso 1 1 calc R . . . .
C41 C 0.73450(16) 0.28894(11) -0.04028(6) 0.0133(3) Uani 1 1 d . . . . .
C42 C 0.60974(16) 0.25813(10) 0.00127(6) 0.0135(3) Uani 1 1 d . . . . .
H42 H 0.524045 0.253381 -0.013781 0.016 Uiso 1 1 calc R . . . .
H H 0.905(2) 0.2256(16) 0.6315(9) 0.036(6) Uiso 1 1 d . . . . .
HA H 0.772(2) 0.3435(16) -0.1585(10) 0.039(6) Uiso 1 1 d . . . . .
HB H 0.993(2) 0.2228(15) -0.1072(9) 0.031(5) Uiso 1 1 d . . . . .
HC H 0.630(2) 0.3071(17) 0.6181(10) 0.042(6) Uiso 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 C1 1.9112(17) . ?
Ru1 Ru2 2.7905(2) . ?
Ru1 C2 1.9188(17) . ?
Ru1 Ru3 2.9263(2) . ?
Ru1 C3 1.9681(18) . ?
Ru1 C20 2.1549(15) . ?
Ru1 H 1.74(2) . ?
Ru1 HC 1.73(2) . ?
O1 C1 1.126(2) . ?
N1 Ru4 2.1138(13) . ?
N1 C18 1.4425(19) . ?
N1 C21 1.2911(19) . ?
Ru2 Ru3 2.7742(2) . ?
Ru2 C4 1.9259(17) . ?
Ru2 C5 1.8965(17) . ?
Ru2 C6 1.9416(17) . ?
Ru2 C20 2.1349(15) . ?
Ru2 H 1.79(2) . ?
N2 Ru3 2.0850(13) . ?
N2 C19 1.284(2) . ?
N2 C20 1.4454(19) . ?
C2 O2 1.126(2) . ?
O3 C3 1.127(2) . ?
Ru3 C7 1.9604(17) . ?
Ru3 C8 1.8993(17) . ?
Ru3 C9 1.9071(16) . ?
Ru3 HC 1.77(2) . ?
Ru4 Ru5 2.7409(2) . ?
Ru4 C10 1.9533(17) . ?
Ru4 C11 1.8877(16) . ?
Ru4 C12 1.9189(18) . ?
Ru4 C16 2.0662(16) . ?
C4 O4 1.132(2) . ?
O5 C5 1.138(2) . ?
Ru5 C13 1.9077(18) . ?
Ru5 C14 1.9158(18) . ?
Ru5 C15 1.9226(18) . ?
Ru5 C16 2.2373(16) . ?
Ru5 C17 2.1858(16) . ?
Ru5 C18 2.2183(15) . ?
O6 C6 1.130(2) . ?
C7 O7 1.123(2) . ?
C8 O8 1.133(2) . ?
O9 C9 1.130(2) . ?
C10 O10 1.128(2) . ?
O11 C11 1.136(2) . ?
O12 C12 1.128(2) . ?
O13 C13 1.138(2) . ?
O14 C14 1.132(2) . ?
O15 C15 1.138(2) . ?
C16 H16 1.0000 . ?
C16 C17 1.393(2) . ?
C17 H17 1.0000 . ?
C17 C18 1.454(2) . ?
C18 C19 1.448(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.453(2) . ?
C21 H21 0.9500 . ?
N3 Ru8 2.0804(12) . ?
N3 C40 1.2829(19) . ?
N3 C41 1.4407(18) . ?
N4 Ru10 2.1120(12) . ?
N4 C39 1.4394(18) . ?
N4 C42 1.2914(19) . ?
Ru6 Ru7 2.7876(2) . ?
Ru6 Ru8 2.9371(2) . ?
Ru6 C22 1.9648(17) . ?
Ru6 C23 1.9190(17) . ?
Ru6 C24 1.9202(17) . ?
Ru6 C41 2.1604(14) . ?
Ru6 HA 1.78(2) . ?
Ru6 HB 1.73(2) . ?
Ru7 Ru8 2.7731(2) . ?
Ru7 C25 1.9254(16) . ?
Ru7 C26 1.9426(16) . ?
Ru7 C27 1.9014(17) . ?
Ru7 C41 2.1326(14) . ?
Ru7 HA 1.77(2) . ?
Ru8 C28 1.9067(17) . ?
Ru8 C29 1.9070(16) . ?
Ru8 C30 1.9477(16) . ?
Ru8 HB 1.81(2) . ?
Ru9 Ru10 2.7446(2) . ?
Ru9 C31 1.9198(17) . ?
Ru9 C32 1.9110(18) . ?
Ru9 C33 1.9217(17) . ?
Ru9 C37 2.2351(16) . ?
Ru9 C38 2.1847(15) . ?
Ru9 C39 2.2214(14) . ?
Ru10 C34 1.8837(16) . ?
Ru10 C35 1.9617(17) . ?
Ru10 C36 1.9065(17) . ?
Ru10 C37 2.0644(16) . ?
O16 C22 1.124(2) . ?
O17 C23 1.125(2) . ?
O18 C24 1.126(2) . ?
O19 C25 1.133(2) . ?
O20 C26 1.129(2) . ?
O21 C27 1.138(2) . ?
O22 C28 1.133(2) . ?
O23 C29 1.1306(19) . ?
O24 C30 1.128(2) . ?
O25 C31 1.134(2) . ?
O26 C32 1.139(2) . ?
O27 C33 1.136(2) . ?
O28 C34 1.132(2) . ?
O29 C35 1.131(2) . ?
O30 C36 1.135(2) . ?
C37 H37 1.0000 . ?
C37 C38 1.394(2) . ?
C38 H38 1.0000 . ?
C38 C39 1.451(2) . ?
C39 C40 1.452(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.452(2) . ?
C42 H42 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 Ru2 95.32(5) . . ?
C1 Ru1 C2 91.41(7) . . ?
C1 Ru1 Ru3 152.26(5) . . ?
C1 Ru1 C3 96.51(7) . . ?
C1 Ru1 C20 94.76(6) . . ?
C1 Ru1 H 88.6(7) . . ?
C1 Ru1 HC 173.6(7) . . ?
Ru2 Ru1 Ru3 58.003(6) . . ?
Ru2 Ru1 H 38.5(7) . . ?
Ru2 Ru1 HC 91.0(7) . . ?
C2 Ru1 Ru2 142.60(5) . . ?
C2 Ru1 Ru3 105.45(5) . . ?
C2 Ru1 C3 97.30(7) . . ?
C2 Ru1 C20 93.72(6) . . ?
C2 Ru1 H 178.9(7) . . ?
C2 Ru1 HC 83.3(7) . . ?
Ru3 Ru1 H 75.0(7) . . ?
Ru3 Ru1 HC 33.8(7) . . ?
C3 Ru1 Ru2 118.29(5) . . ?
C3 Ru1 Ru3 102.83(5) . . ?
C3 Ru1 C20 164.00(7) . . ?
C3 Ru1 H 81.6(7) . . ?
C3 Ru1 HC 80.8(7) . . ?
C20 Ru1 Ru2 49.11(4) . . ?
C20 Ru1 Ru3 62.86(4) . . ?
C20 Ru1 H 87.4(7) . . ?
C20 Ru1 HC 89.1(7) . . ?
H Ru1 HC 96.7(10) . . ?
C18 N1 Ru4 105.22(9) . . ?
C21 N1 Ru4 134.09(11) . . ?
C21 N1 C18 119.57(13) . . ?
O1 C1 Ru1 178.90(17) . . ?
Ru1 Ru2 H 37.0(7) . . ?
Ru3 Ru2 Ru1 63.453(5) . . ?
Ru3 Ru2 H 78.6(7) . . ?
C4 Ru2 Ru1 101.69(5) . . ?
C4 Ru2 Ru3 163.62(5) . . ?
C4 Ru2 C6 95.17(7) . . ?
C4 Ru2 C20 99.39(7) . . ?
C4 Ru2 H 93.5(7) . . ?
C5 Ru2 Ru1 140.68(5) . . ?
C5 Ru2 Ru3 92.83(5) . . ?
C5 Ru2 C4 95.58(7) . . ?
C5 Ru2 C6 93.42(7) . . ?
C5 Ru2 C20 92.92(6) . . ?
C5 Ru2 H 170.8(7) . . ?
C6 Ru2 Ru1 119.47(5) . . ?
C6 Ru2 Ru3 98.34(5) . . ?
C6 Ru2 C20 163.47(6) . . ?
C6 Ru2 H 84.8(7) . . ?
C20 Ru2 Ru1 49.74(4) . . ?
C20 Ru2 Ru3 66.10(4) . . ?
C20 Ru2 H 86.6(7) . . ?
C19 N2 Ru3 137.41(11) . . ?
C19 N2 C20 122.59(13) . . ?
C20 N2 Ru3 99.72(9) . . ?
O2 C2 Ru1 178.29(14) . . ?
Ru1 Ru3 HC 32.9(7) . . ?
Ru2 Ru3 Ru1 58.544(6) . . ?
Ru2 Ru3 HC 90.7(7) . . ?
N2 Ru3 Ru1 70.07(3) . . ?
N2 Ru3 Ru2 70.88(4) . . ?
N2 Ru3 HC 85.8(7) . . ?
C7 Ru3 Ru1 115.21(5) . . ?
C7 Ru3 Ru2 170.13(5) . . ?
C7 Ru3 N2 100.11(6) . . ?
C7 Ru3 HC 84.5(7) . . ?
C8 Ru3 Ru1 94.95(5) . . ?
C8 Ru3 Ru2 93.80(5) . . ?
C8 Ru3 N2 162.49(6) . . ?
C8 Ru3 C7 94.43(7) . . ?
C8 Ru3 C9 94.76(7) . . ?
C8 Ru3 HC 85.9(7) . . ?
C9 Ru3 Ru1 147.44(5) . . ?
C9 Ru3 Ru2 89.84(5) . . ?
C9 Ru3 N2 93.68(6) . . ?
C9 Ru3 C7 94.90(7) . . ?
C9 Ru3 HC 179.1(7) . . ?
O3 C3 Ru1 175.14(16) . . ?
N1 Ru4 Ru5 72.10(3) . . ?
C10 Ru4 N1 91.98(6) . . ?
C10 Ru4 Ru5 105.01(5) . . ?
C10 Ru4 C16 158.19(7) . . ?
C11 Ru4 N1 167.35(6) . . ?
C11 Ru4 Ru5 95.70(5) . . ?
C11 Ru4 C10 94.51(7) . . ?
C11 Ru4 C12 92.46(7) . . ?
C11 Ru4 C16 90.06(7) . . ?
C12 Ru4 N1 97.59(6) . . ?
C12 Ru4 Ru5 156.28(6) . . ?
C12 Ru4 C10 96.48(8) . . ?
C12 Ru4 C16 104.63(7) . . ?
C16 Ru4 N1 80.01(6) . . ?
C16 Ru4 Ru5 53.25(5) . . ?
O4 C4 Ru2 178.28(18) . . ?
C13 Ru5 Ru4 83.82(5) . . ?
C13 Ru5 C14 93.92(8) . . ?
C13 Ru5 C15 101.10(8) . . ?
C13 Ru5 C16 131.48(7) . . ?
C13 Ru5 C17 136.83(7) . . ?
C13 Ru5 C18 99.97(6) . . ?
C14 Ru5 Ru4 97.15(5) . . ?
C14 Ru5 C15 94.60(8) . . ?
C14 Ru5 C16 94.67(7) . . ?
C14 Ru5 C17 123.28(7) . . ?
C14 Ru5 C18 159.25(7) . . ?
C15 Ru5 Ru4 166.93(6) . . ?
C15 Ru5 C16 125.58(7) . . ?
C15 Ru5 C17 97.16(7) . . ?
C15 Ru5 C18 97.73(7) . . ?
C16 Ru5 Ru4 47.73(4) . . ?
C17 Ru5 Ru4 71.55(4) . . ?
C17 Ru5 C16 36.68(6) . . ?
C17 Ru5 C18 38.54(6) . . ?
C18 Ru5 Ru4 69.37(4) . . ?
C18 Ru5 C16 64.58(6) . . ?
O5 C5 Ru2 179.41(16) . . ?
O6 C6 Ru2 177.30(15) . . ?
O7 C7 Ru3 174.73(16) . . ?
O8 C8 Ru3 175.10(16) . . ?
O9 C9 Ru3 176.24(15) . . ?
O10 C10 Ru4 176.59(16) . . ?
O11 C11 Ru4 177.44(15) . . ?
O12 C12 Ru4 177.78(19) . . ?
O13 C13 Ru5 179.70(17) . . ?
O14 C14 Ru5 177.07(17) . . ?
O15 C15 Ru5 177.35(19) . . ?
Ru4 C16 Ru5 79.01(5) . . ?
Ru4 C16 H16 123.2 . . ?
Ru5 C16 H16 123.2 . . ?
C17 C16 Ru4 113.44(11) . . ?
C17 C16 Ru5 69.65(9) . . ?
C17 C16 H16 123.2 . . ?
Ru5 C17 H17 123.3 . . ?
C16 C17 Ru5 73.67(9) . . ?
C16 C17 H17 123.3 . . ?
C16 C17 C18 113.47(14) . . ?
C18 C17 Ru5 71.94(9) . . ?
C18 C17 H17 123.3 . . ?
N1 C18 Ru5 102.80(9) . . ?
N1 C18 C17 113.46(13) . . ?
N1 C18 C19 116.29(13) . . ?
C17 C18 Ru5 69.52(9) . . ?
C19 C18 Ru5 122.22(11) . . ?
C19 C18 C17 122.78(14) . . ?
N2 C19 C18 122.67(14) . . ?
N2 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
Ru2 C20 Ru1 81.15(5) . . ?
N2 C20 Ru1 108.89(10) . . ?
N2 C20 Ru2 105.10(9) . . ?
N2 C20 C21 113.38(12) . . ?
C21 C20 Ru1 120.32(10) . . ?
C21 C20 Ru2 123.40(11) . . ?
N1 C21 C20 125.35(14) . . ?
N1 C21 H21 117.3 . . ?
C20 C21 H21 117.3 . . ?
C40 N3 Ru8 136.76(10) . . ?
C40 N3 C41 122.81(12) . . ?
C41 N3 Ru8 100.37(9) . . ?
C39 N4 Ru10 104.80(9) . . ?
C42 N4 Ru10 134.54(10) . . ?
C42 N4 C39 119.54(12) . . ?
Ru7 Ru6 Ru8 57.878(5) . . ?
Ru7 Ru6 HA 38.1(7) . . ?
Ru7 Ru6 HB 92.1(7) . . ?
Ru8 Ru6 HA 73.8(7) . . ?
Ru8 Ru6 HB 34.9(7) . . ?
C22 Ru6 Ru7 119.02(5) . . ?
C22 Ru6 Ru8 104.25(5) . . ?
C22 Ru6 C41 165.21(6) . . ?
C22 Ru6 HA 82.2(7) . . ?
C22 Ru6 HB 82.1(7) . . ?
C23 Ru6 Ru7 93.36(5) . . ?
C23 Ru6 Ru8 150.75(5) . . ?
C23 Ru6 C22 94.13(7) . . ?
C23 Ru6 C24 94.49(7) . . ?
C23 Ru6 C41 95.35(6) . . ?
C23 Ru6 HA 86.7(7) . . ?
C23 Ru6 HB 174.4(7) . . ?
C24 Ru6 Ru7 142.14(5) . . ?
C24 Ru6 Ru8 105.31(5) . . ?
C24 Ru6 C22 97.26(7) . . ?
C24 Ru6 C41 93.30(6) . . ?
C24 Ru6 HA 178.8(7) . . ?
C24 Ru6 HB 81.9(7) . . ?
C41 Ru6 Ru7 49.07(4) . . ?
C41 Ru6 Ru8 62.75(4) . . ?
C41 Ru6 HA 87.0(7) . . ?
C41 Ru6 HB 89.1(7) . . ?
HA Ru6 HB 97.0(10) . . ?
Ru6 Ru7 HA 38.3(7) . . ?
Ru8 Ru7 Ru6 63.765(5) . . ?
Ru8 Ru7 HA 78.5(7) . . ?
C25 Ru7 Ru6 100.13(5) . . ?
C25 Ru7 Ru8 162.10(5) . . ?
C25 Ru7 C26 96.99(7) . . ?
C25 Ru7 C41 97.71(6) . . ?
C25 Ru7 HA 93.5(7) . . ?
C26 Ru7 Ru6 117.83(5) . . ?
C26 Ru7 Ru8 97.66(5) . . ?
C26 Ru7 C41 162.52(6) . . ?
C26 Ru7 HA 81.6(7) . . ?
C27 Ru7 Ru6 139.80(5) . . ?
C27 Ru7 Ru8 94.27(5) . . ?
C27 Ru7 C25 94.03(7) . . ?
C27 Ru7 C26 97.22(7) . . ?
C27 Ru7 C41 91.12(6) . . ?
C27 Ru7 HA 172.5(7) . . ?
C41 Ru7 Ru6 49.94(4) . . ?
C41 Ru7 Ru8 66.29(4) . . ?
C41 Ru7 HA 88.1(7) . . ?
N3 Ru8 Ru6 70.12(3) . . ?
N3 Ru8 Ru7 70.35(3) . . ?
N3 Ru8 HB 85.3(6) . . ?
Ru6 Ru8 HB 33.0(6) . . ?
Ru7 Ru8 Ru6 58.357(6) . . ?
Ru7 Ru8 HB 90.7(6) . . ?
C28 Ru8 N3 165.51(6) . . ?
C28 Ru8 Ru6 96.48(5) . . ?
C28 Ru8 Ru7 98.23(5) . . ?
C28 Ru8 C29 90.50(7) . . ?
C28 Ru8 C30 97.85(7) . . ?
C28 Ru8 HB 86.0(6) . . ?
C29 Ru8 N3 97.88(6) . . ?
C29 Ru8 Ru6 146.73(5) . . ?
C29 Ru8 Ru7 88.49(5) . . ?
C29 Ru8 C30 95.51(6) . . ?
C29 Ru8 HB 176.2(6) . . ?
C30 Ru8 N3 93.11(6) . . ?
C30 Ru8 Ru6 115.52(5) . . ?
C30 Ru8 Ru7 163.39(5) . . ?
C30 Ru8 HB 86.3(6) . . ?
C31 Ru9 Ru10 100.09(5) . . ?
C31 Ru9 C33 93.73(7) . . ?
C31 Ru9 C37 94.55(7) . . ?
C31 Ru9 C38 121.57(7) . . ?
C31 Ru9 C39 158.68(7) . . ?
C32 Ru9 Ru10 82.91(5) . . ?
C32 Ru9 C31 95.66(8) . . ?
C32 Ru9 C33 99.04(7) . . ?
C32 Ru9 C37 130.53(6) . . ?
C32 Ru9 C38 137.29(6) . . ?
C32 Ru9 C39 100.81(6) . . ?
C33 Ru9 Ru10 165.81(5) . . ?
C33 Ru9 C37 128.37(7) . . ?
C33 Ru9 C38 98.58(7) . . ?
C33 Ru9 C39 96.93(6) . . ?
C37 Ru9 Ru10 47.64(4) . . ?
C38 Ru9 Ru10 71.41(4) . . ?
C38 Ru9 C37 36.75(6) . . ?
C38 Ru9 C39 38.45(5) . . ?
C39 Ru9 Ru10 68.94(4) . . ?
C39 Ru9 C37 64.42(6) . . ?
N4 Ru10 Ru9 72.43(3) . . ?
C34 Ru10 N4 166.06(6) . . ?
C34 Ru10 Ru9 94.11(5) . . ?
C34 Ru10 C35 94.09(7) . . ?
C34 Ru10 C36 91.07(7) . . ?
C34 Ru10 C37 88.88(7) . . ?
C35 Ru10 N4 93.37(6) . . ?
C35 Ru10 Ru9 107.11(5) . . ?
C35 Ru10 C37 160.22(6) . . ?
C36 Ru10 N4 99.87(6) . . ?
C36 Ru10 Ru9 156.10(5) . . ?
C36 Ru10 C35 95.75(7) . . ?
C36 Ru10 C37 103.76(7) . . ?
C37 Ru10 N4 80.20(6) . . ?
C37 Ru10 Ru9 53.13(4) . . ?
O16 C22 Ru6 177.03(16) . . ?
O17 C23 Ru6 177.32(16) . . ?
O18 C24 Ru6 179.76(19) . . ?
O19 C25 Ru7 178.80(15) . . ?
O20 C26 Ru7 179.44(18) . . ?
O21 C27 Ru7 176.95(14) . . ?
O22 C28 Ru8 177.14(17) . . ?
O23 C29 Ru8 175.09(14) . . ?
O24 C30 Ru8 172.68(15) . . ?
O25 C31 Ru9 178.78(18) . . ?
O26 C32 Ru9 178.59(15) . . ?
O27 C33 Ru9 175.56(17) . . ?
O28 C34 Ru10 176.50(16) . . ?
O29 C35 Ru10 178.45(15) . . ?
O30 C36 Ru10 175.32(16) . . ?
Ru9 C37 H37 123.2 . . ?
Ru10 C37 Ru9 79.23(5) . . ?
Ru10 C37 H37 123.2 . . ?
C38 C37 Ru9 69.66(9) . . ?
C38 C37 Ru10 113.31(11) . . ?
C38 C37 H37 123.2 . . ?
Ru9 C38 H38 123.4 . . ?
C37 C38 Ru9 73.59(9) . . ?
C37 C38 H38 123.4 . . ?
C37 C38 C39 113.18(13) . . ?
C39 C38 Ru9 72.15(8) . . ?
C39 C38 H38 123.4 . . ?
N4 C39 Ru9 103.45(9) . . ?
N4 C39 C38 113.94(13) . . ?
N4 C39 C40 116.42(12) . . ?
C38 C39 Ru9 69.41(8) . . ?
C38 C39 C40 121.75(13) . . ?
C40 C39 Ru9 122.32(10) . . ?
N3 C40 C39 122.32(13) . . ?
N3 C40 H40 118.8 . . ?
C39 C40 H40 118.8 . . ?
N3 C41 Ru6 109.29(9) . . ?
N3 C41 Ru7 104.27(9) . . ?
N3 C41 C42 113.56(12) . . ?
Ru7 C41 Ru6 80.98(5) . . ?
C42 C41 Ru6 119.76(10) . . ?
C42 C41 Ru7 124.29(10) . . ?
N4 C42 C41 125.29(13) . . ?
N4 C42 H42 117.4 . . ?
C41 C42 H42 117.4 . . ?

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 C20 C21 N1 -134.50(14) . . . . ?
N1 C18 C19 N2 -0.5(2) . . . . ?
Ru2 C20 C21 N1 125.59(14) . . . . ?
N2 C20 C21 N1 -3.1(2) . . . . ?
Ru3 N2 C19 C18 -175.39(11) . . . . ?
Ru3 N2 C20 Ru1 -43.85(9) . . . . ?
Ru3 N2 C20 Ru2 41.79(9) . . . . ?
Ru3 N2 C20 C21 179.34(10) . . . . ?
Ru4 N1 C18 Ru5 -31.53(9) . . . . ?
Ru4 N1 C18 C17 41.46(14) . . . . ?
Ru4 N1 C18 C19 -167.76(11) . . . . ?
Ru4 N1 C21 C20 166.06(11) . . . . ?
Ru4 C16 C17 Ru5 67.52(9) . . . . ?
Ru4 C16 C17 C18 6.16(18) . . . . ?
Ru5 C16 C17 C18 -61.36(12) . . . . ?
Ru5 C17 C18 N1 -95.49(12) . . . . ?
Ru5 C17 C18 C19 115.88(15) . . . . ?
Ru5 C18 C19 N2 -127.63(14) . . . . ?
C16 C17 C18 N1 -33.14(19) . . . . ?
C16 C17 C18 Ru5 62.36(12) . . . . ?
C16 C17 C18 C19 178.23(15) . . . . ?
C17 C18 C19 N2 147.30(16) . . . . ?
C18 N1 C21 C20 0.1(2) . . . . ?
C19 N2 C20 Ru1 141.22(13) . . . . ?
C19 N2 C20 Ru2 -133.14(13) . . . . ?
C19 N2 C20 C21 4.4(2) . . . . ?
C20 N2 C19 C18 -2.8(2) . . . . ?
C21 N1 C18 Ru5 138.07(12) . . . . ?
C21 N1 C18 C17 -148.94(14) . . . . ?
C21 N1 C18 C19 1.8(2) . . . . ?
N3 C41 C42 N4 1.8(2) . . . . ?
N4 C39 C40 N3 0.0(2) . . . . ?
Ru6 C41 C42 N4 133.44(13) . . . . ?
Ru7 C41 C42 N4 -126.70(14) . . . . ?
Ru8 N3 C40 C39 178.71(11) . . . . ?
Ru8 N3 C41 Ru6 42.89(9) . . . . ?
Ru8 N3 C41 Ru7 -42.38(8) . . . . ?
Ru8 N3 C41 C42 179.46(10) . . . . ?
Ru9 C37 C38 C39 61.72(12) . . . . ?
Ru9 C38 C39 N4 96.03(11) . . . . ?
Ru9 C38 C39 C40 -116.05(14) . . . . ?
Ru9 C39 C40 N3 128.48(13) . . . . ?
Ru10 N4 C39 Ru9 31.39(9) . . . . ?
Ru10 N4 C39 C38 -41.78(14) . . . . ?
Ru10 N4 C39 C40 168.50(10) . . . . ?
Ru10 N4 C42 C41 -165.74(11) . . . . ?
Ru10 C37 C38 Ru9 -67.87(8) . . . . ?
Ru10 C37 C38 C39 -6.15(17) . . . . ?
C37 C38 C39 N4 33.46(19) . . . . ?
C37 C38 C39 Ru9 -62.56(12) . . . . ?
C37 C38 C39 C40 -178.61(14) . . . . ?
C38 C39 C40 N3 -147.14(15) . . . . ?
C39 N4 C42 C41 0.1(2) . . . . ?
C40 N3 C41 Ru6 -139.41(12) . . . . ?
C40 N3 C41 Ru7 135.31(12) . . . . ?
C40 N3 C41 C42 -2.8(2) . . . . ?
C41 N3 C40 C39 2.0(2) . . . . ?
C42 N4 C39 Ru9 -138.19(11) . . . . ?
C42 N4 C39 C38 148.65(14) . . . . ?
C42 N4 C39 C40 -1.1(2) . . . . ?

_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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1881604'
loop_
_audit_author_name
_audit_author_address
'Shishir Ghosh'
;Jahangirnagar University
Bangladesh
;
_audit_update_record             
;
2018-11-27 deposited with the CCDC.	2019-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H30 Cl2 N2 O6 P2 Ru3'
_chemical_formula_weight         1046.69

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'
P P 0.1023 0.0942 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.8780(7)
_cell_length_b                   18.0767(11)
_cell_length_c                   19.8398(12)
_cell_angle_alpha                90
_cell_angle_beta                 96.527(2)
_cell_angle_gamma                90
_cell_volume                     3876.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9637
_cell_measurement_theta_min      2.2533
_cell_measurement_theta_max      27.6623

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_F_000             2064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    1.423
_shelx_estimated_absorpt_T_min   0.717
_shelx_estimated_absorpt_T_max   0.959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6689
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker AXS area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62857
_diffrn_reflns_av_unetI/netI     0.0969
_diffrn_reflns_av_R_equivalents  0.1196
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.196
_diffrn_reflns_theta_max         28.333
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9637
_reflns_number_gt                6223
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0299P)²+14.3692P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9637
_refine_ls_number_parameters     490
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1155
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.1050
_refine_ls_wR_factor_gt          0.0894
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_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
Ru1 Ru 0.37469(4) 0.27923(2) 0.70128(2) 0.01411(11) Uani 1 1 d . . . . .
Ru2 Ru 0.51544(4) 0.34854(3) 0.81567(2) 0.01682(11) Uani 1 1 d . . . . .
Ru3 Ru 0.38300(4) 0.43338(2) 0.71194(2) 0.01440(11) Uani 1 1 d . . . . .
Cl1 Cl 0.6492(2) 0.15356(13) 0.54478(13) 0.0830(8) Uani 1 1 d . . . . .
Cl2 Cl 0.8687(3) 0.0726(2) 0.5241(2) 0.1475(15) Uani 1 1 d . . . . .
P1 P 0.19548(12) 0.28222(8) 0.62512(6) 0.0141(3) Uani 1 1 d . . . . .
P2 P 0.20312(12) 0.45106(8) 0.64359(6) 0.0138(3) Uani 1 1 d . . . . .
O1 O 0.5462(4) 0.3065(2) 0.5943(2) 0.0306(10) Uani 1 1 d . . . . .
O2 O 0.3790(4) 0.1114(2) 0.7166(3) 0.0445(13) Uani 1 1 d . . . . .
O3 O 0.7953(4) 0.3240(3) 0.8447(2) 0.0383(11) Uani 1 1 d . . . . .
O4 O 0.5224(4) 0.4752(2) 0.9150(2) 0.0378(11) Uani 1 1 d . . . . .
O5 O 0.3518(4) 0.5784(3) 0.7822(2) 0.0445(13) Uani 1 1 d . . . . .
O6 O 0.5360(4) 0.4895(2) 0.6019(2) 0.0359(11) Uani 1 1 d . . . . .
N1 N 0.4342(4) 0.2633(2) 0.8714(2) 0.0178(10) Uani 1 1 d . . . . .
N2 N 0.3035(4) 0.1491(3) 0.9250(2) 0.0245(11) Uani 1 1 d . . . . .
C1 C 0.4784(5) 0.2975(3) 0.6336(3) 0.0198(12) Uani 1 1 d . . . . .
C2 C 0.3768(5) 0.1735(4) 0.7095(3) 0.0252(13) Uani 1 1 d . . . . .
C3 C 0.6906(6) 0.3319(3) 0.8349(3) 0.0243(13) Uani 1 1 d . . . . .
C4 C 0.5198(5) 0.4253(3) 0.8792(3) 0.0215(13) Uani 1 1 d . . . . .
C5 C 0.3656(5) 0.5243(3) 0.7543(3) 0.0248(14) Uani 1 1 d . . . . .
C6 C 0.4809(5) 0.4693(3) 0.6436(3) 0.0204(12) Uani 1 1 d . . . . .
C7 C 0.3329(4) 0.3584(3) 0.7770(2) 0.0165(11) Uani 1 1 d . . . . .
C8 C 0.2623(5) 0.2975(3) 0.7926(3) 0.0173(12) Uani 1 1 d D . . . .
C9 C 0.3147(5) 0.2502(3) 0.8481(3) 0.0179(12) Uani 1 1 d . . . . .
C10 C 0.2510(5) 0.1933(3) 0.8769(3) 0.0205(12) Uani 1 1 d . . . . .
H10 H 0.166065 0.186102 0.861290 0.025 Uiso 1 1 calc R U . . .
C11 C 0.4220(6) 0.1622(3) 0.9457(3) 0.0245(14) Uani 1 1 d . . . . .
H11 H 0.463495 0.130917 0.979433 0.029 Uiso 1 1 calc R U . . .
C12 C 0.4862(5) 0.2184(3) 0.9207(3) 0.0237(13) Uani 1 1 d . . . . .
H12 H 0.570037 0.226117 0.938433 0.028 Uiso 1 1 calc R U . . .
C13 C 0.1928(5) 0.2216(3) 0.5512(2) 0.0158(11) Uani 1 1 d . . . . .
C14 C 0.2932(5) 0.1778(3) 0.5406(3) 0.0245(13) Uani 1 1 d . . . . .
H14 H 0.366347 0.179769 0.571617 0.029 Uiso 1 1 calc R U . . .
C15 C 0.2876(6) 0.1316(3) 0.4855(3) 0.0300(15) Uani 1 1 d . . . . .
H15 H 0.357565 0.102314 0.478623 0.036 Uiso 1 1 calc R U . . .
C16 C 0.1834(6) 0.1269(3) 0.4404(3) 0.0288(15) Uani 1 1 d . . . . .
H16 H 0.180060 0.093949 0.402894 0.035 Uiso 1 1 calc R U . . .
C17 C 0.0833(6) 0.1707(3) 0.4500(3) 0.0318(15) Uani 1 1 d . . . . .
H17 H 0.011390 0.168985 0.417961 0.038 Uiso 1 1 calc R U . . .
C18 C 0.0856(5) 0.2171(3) 0.5054(3) 0.0261(13) Uani 1 1 d . . . . .
H18 H 0.014929 0.245795 0.512264 0.031 Uiso 1 1 calc R U . . .
C19 C 0.0528(5) 0.2557(3) 0.6587(2) 0.0141(11) Uani 1 1 d . . . . .
C20 C 0.0486(5) 0.1862(3) 0.6888(3) 0.0230(13) Uani 1 1 d . . . . .
H20 H 0.118001 0.154072 0.690183 0.028 Uiso 1 1 calc R U . . .
C21 C -0.0558(5) 0.1639(3) 0.7167(3) 0.0298(15) Uani 1 1 d . . . . .
H21 H -0.058408 0.116379 0.736936 0.036 Uiso 1 1 calc R U . . .
C22 C -0.1559(5) 0.2101(3) 0.7154(3) 0.0285(14) Uani 1 1 d . . . . .
H22 H -0.226788 0.194937 0.735678 0.034 Uiso 1 1 calc R U . . .
C23 C -0.1542(5) 0.2773(3) 0.6855(3) 0.0279(14) Uani 1 1 d . . . . .
H23 H -0.224601 0.308574 0.684065 0.033 Uiso 1 1 calc R U . . .
C24 C -0.0509(5) 0.3006(3) 0.6572(3) 0.0216(13) Uani 1 1 d . . . . .
H24 H -0.050810 0.347905 0.636340 0.026 Uiso 1 1 calc R U . . .
C25 C 0.1640(5) 0.3731(3) 0.5855(2) 0.0145(11) Uani 1 1 d . . . . .
H25A H 0.075123 0.375976 0.568141 0.017 Uiso 1 1 calc R U . . .
H25B H 0.212037 0.377679 0.546167 0.017 Uiso 1 1 calc R U . . .
C26 C 0.0647(5) 0.4688(3) 0.6850(3) 0.0169(12) Uani 1 1 d . . . . .
C27 C 0.0640(5) 0.4542(3) 0.7536(3) 0.0176(12) Uani 1 1 d . . . . .
H27 H 0.137396 0.437287 0.779533 0.021 Uiso 1 1 calc R U . . .
C28 C -0.0427(5) 0.4640(3) 0.7846(3) 0.0260(14) Uani 1 1 d . . . . .
H28 H -0.042320 0.453346 0.831506 0.031 Uiso 1 1 calc R U . . .
C29 C -0.1490(5) 0.4891(3) 0.7478(3) 0.0295(15) Uani 1 1 d . . . . .
H29 H -0.222371 0.495097 0.769068 0.035 Uiso 1 1 calc R U . . .
C30 C -0.1489(5) 0.5056(3) 0.6797(3) 0.0255(13) Uani 1 1 d . . . . .
H30 H -0.221980 0.524048 0.654476 0.031 Uiso 1 1 calc R U . . .
C31 C -0.0439(5) 0.4955(3) 0.6483(3) 0.0200(12) Uani 1 1 d . . . . .
H31 H -0.044914 0.506730 0.601410 0.024 Uiso 1 1 calc R U . . .
C32 C 0.2035(5) 0.5303(3) 0.5859(3) 0.0157(11) Uani 1 1 d . . . . .
C33 C 0.1743(5) 0.5999(3) 0.6095(3) 0.0222(13) Uani 1 1 d . . . . .
H33 H 0.151514 0.604748 0.654094 0.027 Uiso 1 1 calc R U . . .
C34 C 0.1778(5) 0.6616(3) 0.5694(3) 0.0263(14) Uani 1 1 d . . . . .
H34 H 0.154796 0.708394 0.585733 0.032 Uiso 1 1 calc R U . . .
C35 C 0.2144(5) 0.6554(3) 0.5059(3) 0.0233(13) Uani 1 1 d . . . . .
H35 H 0.217526 0.698023 0.478088 0.028 Uiso 1 1 calc R U . . .
C36 C 0.2464(5) 0.5881(3) 0.4826(3) 0.0245(13) Uani 1 1 d . . . . .
H36 H 0.272838 0.584414 0.438697 0.029 Uiso 1 1 calc R U . . .
C37 C 0.2414(5) 0.5250(3) 0.5213(3) 0.0194(12) Uani 1 1 d . . . . .
H37 H 0.263423 0.478434 0.504062 0.023 Uiso 1 1 calc R U . . .
C38 C 0.7356(7) 0.0737(5) 0.5583(4) 0.064(2) Uani 1 1 d . . . . .
H38A H 0.753980 0.066083 0.607841 0.076 Uiso 1 1 calc R U . . .
H38B H 0.684651 0.031438 0.539864 0.076 Uiso 1 1 calc R U . . .
H39 H 0.518(5) 0.276(3) 0.754(3) 0.030(16) Uiso 1 1 d . . . . .
H40 H 0.542(4) 0.408(3) 0.761(2) 0.014(13) Uiso 1 1 d . . . . .
H8 H 0.1779(15) 0.292(3) 0.775(3) 0.036(18) Uiso 1 1 d 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 C1 1.879(6) . ?
Ru1 C2 1.917(6) . ?
Ru1 C7 2.160(5) . ?
Ru1 C8 2.322(5) . ?
Ru1 P1 2.3273(14) . ?
Ru1 Ru3 2.7952(6) . ?
Ru1 Ru2 2.8765(6) . ?
Ru1 H39 1.78(5) . ?
Ru2 C4 1.872(6) . ?
Ru2 C3 1.924(6) . ?
Ru2 C7 2.054(5) . ?
Ru2 N1 2.145(4) . ?
Ru2 Ru3 2.8264(6) . ?
Ru2 H39 1.79(5) . ?
Ru2 H40 1.58(5) . ?
Ru3 C5 1.865(6) . ?
Ru3 C6 1.930(6) . ?
Ru3 C7 1.990(5) . ?
Ru3 P2 2.2730(14) . ?
Ru3 H40 1.94(5) . ?
Cl1 C38 1.726(8) . ?
Cl2 C38 1.667(8) . ?
P1 C19 1.821(5) . ?
P1 C13 1.828(5) . ?
P1 C25 1.836(5) . ?
P2 C26 1.824(5) . ?
P2 C32 1.834(5) . ?
P2 C25 1.841(5) . ?
O1 C1 1.144(6) . ?
O2 C2 1.132(7) . ?
O3 C3 1.143(6) . ?
O4 C4 1.146(7) . ?
O5 C5 1.143(7) . ?
O6 C6 1.134(6) . ?
N1 C12 1.345(6) . ?
N1 C9 1.350(6) . ?
N2 C10 1.322(7) . ?
N2 C11 1.329(7) . ?
C7 C8 1.398(7) . ?
C8 C9 1.457(7) . ?
C8 H8 0.950(3) . ?
C9 C10 1.398(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.358(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.384(7) . ?
C13 C18 1.397(7) . ?
C14 C15 1.371(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.364(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(8) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.387(7) . ?
C19 C20 1.395(7) . ?
C20 C21 1.379(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.370(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.352(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.388(7) . ?
C26 C31 1.401(7) . ?
C27 C28 1.386(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.372(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(7) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.390(7) . ?
C32 C37 1.394(7) . ?
C33 C34 1.372(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.361(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.378(7) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?

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
C1 Ru1 C2 103.5(2) . . ?
C1 Ru1 C7 124.9(2) . . ?
C2 Ru1 C7 127.0(2) . . ?
C1 Ru1 C8 161.0(2) . . ?
C2 Ru1 C8 94.4(2) . . ?
C7 Ru1 C8 36.11(19) . . ?
C1 Ru1 P1 93.37(16) . . ?
C2 Ru1 P1 94.56(17) . . ?
C7 Ru1 P1 102.07(13) . . ?
C8 Ru1 P1 91.55(13) . . ?
C1 Ru1 Ru3 82.09(17) . . ?
C2 Ru1 Ru3 170.70(18) . . ?
C7 Ru1 Ru3 45.12(14) . . ?
C8 Ru1 Ru3 79.32(14) . . ?
P1 Ru1 Ru3 92.49(4) . . ?
C1 Ru1 Ru2 100.28(16) . . ?
C2 Ru1 Ru2 111.50(17) . . ?
C7 Ru1 Ru2 45.42(13) . . ?
C8 Ru1 Ru2 66.58(13) . . ?
P1 Ru1 Ru2 146.46(4) . . ?
Ru3 Ru1 Ru2 59.758(15) . . ?
C1 Ru1 H39 82.7(17) . . ?
C2 Ru1 H39 85.1(17) . . ?
C7 Ru1 H39 81.4(17) . . ?
C8 Ru1 H39 92.6(17) . . ?
P1 Ru1 H39 175.8(17) . . ?
Ru3 Ru1 H39 88.3(17) . . ?
Ru2 Ru1 H39 36.5(17) . . ?
C4 Ru2 C3 91.9(2) . . ?
C4 Ru2 C7 97.9(2) . . ?
C3 Ru2 C7 168.9(2) . . ?
C4 Ru2 N1 99.5(2) . . ?
C3 Ru2 N1 104.0(2) . . ?
C7 Ru2 N1 79.50(19) . . ?
C4 Ru2 Ru3 93.46(16) . . ?
C3 Ru2 Ru3 129.84(17) . . ?
C7 Ru2 Ru3 44.73(15) . . ?
N1 Ru2 Ru3 124.02(11) . . ?
C4 Ru2 Ru1 145.58(16) . . ?
C3 Ru2 Ru1 120.96(17) . . ?
C7 Ru2 Ru1 48.50(14) . . ?
N1 Ru2 Ru1 83.14(11) . . ?
Ru3 Ru2 Ru1 58.692(15) . . ?
C4 Ru2 H39 177.5(17) . . ?
C3 Ru2 H39 85.8(17) . . ?
C7 Ru2 H39 84.3(17) . . ?
N1 Ru2 H39 82.1(17) . . ?
Ru3 Ru2 H39 87.2(17) . . ?
Ru1 Ru2 H39 36.3(17) . . ?
C4 Ru2 H40 88.1(17) . . ?
C3 Ru2 H40 89.2(17) . . ?
C7 Ru2 H40 86.0(16) . . ?
N1 Ru2 H40 164.4(17) . . ?
Ru3 Ru2 H40 41.3(16) . . ?
Ru1 Ru2 H40 82.9(17) . . ?
H39 Ru2 H40 91(2) . . ?
C5 Ru3 C6 96.4(2) . . ?
C5 Ru3 C7 105.0(2) . . ?
C6 Ru3 C7 154.0(2) . . ?
C5 Ru3 P2 91.15(17) . . ?
C6 Ru3 P2 92.29(16) . . ?
C7 Ru3 P2 101.65(14) . . ?
C5 Ru3 Ru1 155.29(18) . . ?
C6 Ru3 Ru1 107.35(16) . . ?
C7 Ru3 Ru1 50.28(15) . . ?
P2 Ru3 Ru1 94.40(4) . . ?
C5 Ru3 Ru2 102.69(17) . . ?
C6 Ru3 Ru2 114.71(16) . . ?
C7 Ru3 Ru2 46.58(14) . . ?
P2 Ru3 Ru2 147.52(4) . . ?
Ru1 Ru3 Ru2 61.550(16) . . ?
C5 Ru3 H40 96.6(14) . . ?
C6 Ru3 H40 84.3(14) . . ?
C7 Ru3 H40 78.9(14) . . ?
P2 Ru3 H40 171.9(14) . . ?
Ru1 Ru3 H40 79.7(14) . . ?
Ru2 Ru3 H40 32.3(14) . . ?
C19 P1 C13 101.5(2) . . ?
C19 P1 C25 105.5(2) . . ?
C13 P1 C25 101.9(2) . . ?
C19 P1 Ru1 116.26(16) . . ?
C13 P1 Ru1 116.28(17) . . ?
C25 P1 Ru1 113.62(17) . . ?
C26 P2 C32 101.8(2) . . ?
C26 P2 C25 105.8(2) . . ?
C32 P2 C25 103.0(2) . . ?
C26 P2 Ru3 117.09(17) . . ?
C32 P2 Ru3 114.78(16) . . ?
C25 P2 Ru3 112.84(17) . . ?
C12 N1 C9 116.8(5) . . ?
C12 N1 Ru2 130.2(4) . . ?
C9 N1 Ru2 112.7(3) . . ?
C10 N2 C11 116.1(5) . . ?
O1 C1 Ru1 176.5(5) . . ?
O2 C2 Ru1 177.8(6) . . ?
O3 C3 Ru2 177.5(5) . . ?
O4 C4 Ru2 175.9(5) . . ?
O5 C5 Ru3 176.9(6) . . ?
O6 C6 Ru3 177.9(5) . . ?
C8 C7 Ru3 151.5(4) . . ?
C8 C7 Ru2 112.4(4) . . ?
Ru3 C7 Ru2 88.7(2) . . ?
C8 C7 Ru1 78.3(3) . . ?
Ru3 C7 Ru1 84.60(18) . . ?
Ru2 C7 Ru1 86.08(18) . . ?
C7 C8 C9 116.9(5) . . ?
C7 C8 Ru1 65.6(3) . . ?
C9 C8 Ru1 108.1(3) . . ?
C7 C8 H8 122(4) . . ?
C9 C8 H8 120(4) . . ?
Ru1 C8 H8 106(3) . . ?
N1 C9 C10 119.4(5) . . ?
N1 C9 C8 115.7(5) . . ?
C10 C9 C8 124.8(5) . . ?
N2 C10 C9 123.1(5) . . ?
N2 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
N2 C11 C12 122.7(5) . . ?
N2 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
N1 C12 C11 121.7(5) . . ?
N1 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C14 C13 C18 118.8(5) . . ?
C14 C13 P1 121.6(4) . . ?
C18 C13 P1 119.5(4) . . ?
C15 C14 C13 120.4(5) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 121.3(6) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C17 118.9(5) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C16 C17 C18 121.1(6) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C17 C18 C13 119.5(5) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C24 C19 C20 118.1(5) . . ?
C24 C19 P1 124.3(4) . . ?
C20 C19 P1 117.6(4) . . ?
C21 C20 C19 120.2(5) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 120.2(6) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.4(6) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 120.4(6) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 120.7(5) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
P1 C25 P2 113.4(3) . . ?
P1 C25 H25A 108.9 . . ?
P2 C25 H25A 108.9 . . ?
P1 C25 H25B 108.9 . . ?
P2 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C27 C26 C31 118.5(5) . . ?
C27 C26 P2 120.3(4) . . ?
C31 C26 P2 121.2(4) . . ?
C28 C27 C26 120.6(5) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 120.3(5) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 119.8(5) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 120.5(5) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C26 120.3(5) . . ?
C30 C31 H31 119.8 . . ?
C26 C31 H31 119.8 . . ?
C33 C32 C37 118.3(5) . . ?
C33 C32 P2 118.7(4) . . ?
C37 C32 P2 122.8(4) . . ?
C34 C33 C32 121.2(5) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C35 C34 C33 119.8(5) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 119.8(5) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 121.5(5) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 H36 119.2 . . ?
C36 C37 C32 119.3(5) . . ?
C36 C37 H37 120.3 . . ?
C32 C37 H37 120.3 . . ?
Cl2 C38 Cl1 115.4(5) . . ?
Cl2 C38 H38A 108.4 . . ?
Cl1 C38 H38A 108.4 . . ?
Cl2 C38 H38B 108.4 . . ?
Cl1 C38 H38B 108.4 . . ?
H38A C38 H38B 107.5 . . ?

_refine_diff_density_max         1.117
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.173

####################################################################### 
# 
# 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_my17better
_database_code_depnum_ccdc_archive 'CCDC 1877757'
loop_
_audit_author_name
_audit_author_address
'Vladimir N. Nesterov'
;University of North Texas
United States of America
;
_audit_update_record             
;
2018-11-08 deposited with the CCDC.	2019-06-19 downloaded from the CCDC.
;
_audit_creation_date             2018-09-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H6 N2 O24 Ru8'
_chemical_formula_sum            'C30 H6 N2 O24 Ru8'
_chemical_formula_weight         1586.93
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.3141(12)
_cell_length_b                   31.916(4)
_cell_length_c                   13.0093(14)
_cell_angle_alpha                90
_cell_angle_beta                 100.089(3)
_cell_angle_gamma                90
_cell_volume                     4216.2(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9742
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.2989
_cell_measurement_theta_min      2.3773
_shelx_estimated_absorpt_T_max   0.846
_shelx_estimated_absorpt_T_min   0.611
_exptl_absorpt_coefficient_mu    2.873
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0908 before and 0.0527 after correction.
The Ratio of minimum to maximum transmission is 0.7958.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'intense orange'
_exptl_crystal_density_diffrn    2.500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            61898
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         2.489
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7958
_reflns_number_total             9295
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         1.813
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       0.000083(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     590
_refine_ls_number_reflns         9295
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0410
_refine_ls_restrained_S_all      1.178
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0149P)²+28.2021P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0786
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 HB-Ru7 = HB-Ru8
 1.8 with sigma of 0.01
 HA-Ru4 = HA-Ru8
 1.8 with sigma of 0.01
3.a Ternary CH refined with riding coordinates:
 C26(H26)
3.b Aromatic/amide H refined with riding coordinates:
 C29(H29), C30(H30)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 -0.03222(5) 0.55946(2) 0.25138(4) 0.02694(12) Uani 1 1 d . . . . .
O1 O -0.0164(5) 0.58480(15) 0.4813(3) 0.0386(11) Uani 1 1 d . . . . .
N1 N 0.0693(4) 0.65567(14) 0.3471(3) 0.0178(9) Uani 1 1 d . . . . .
C1 C -0.0156(6) 0.57695(19) 0.3968(5) 0.0270(13) Uani 1 1 d . . . . .
Ru2 Ru -0.01282(4) 0.64454(2) 0.18949(3) 0.01914(10) Uani 1 1 d . . . . .
O2 O 0.0569(6) 0.47100(17) 0.3200(5) 0.0604(16) Uani 1 1 d . . . . .
N2 N 0.2046(4) 0.66509(14) 0.5462(3) 0.0188(10) Uani 1 1 d . . . . .
C2 C 0.0247(7) 0.5037(2) 0.2942(6) 0.0407(17) Uani 1 1 d . . . . .
Ru3 Ru 0.22166(5) 0.59645(2) 0.25138(3) 0.02232(11) Uani 1 1 d . . . . .
H H 0.148(7) 0.638(2) 0.173(6) 0.05(2) Uiso 1 1 d . . . . .
O3 O -0.0488(6) 0.53953(19) 0.0186(4) 0.0628(17) Uani 1 1 d . . . . .
C3 C -0.0399(8) 0.5478(2) 0.1044(6) 0.0413(17) Uani 1 1 d . . . . .
Ru4 Ru 0.33024(4) 0.67476(2) 0.68988(3) 0.01787(10) Uani 1 1 d D . . . .
HA H 0.461(6) 0.6897(7) 0.794(4) 0.09(3) Uiso 1 1 d D . . . .
O4 O -0.3289(5) 0.55074(18) 0.2502(4) 0.0523(14) Uani 1 1 d . . . . .
C4 C -0.2187(7) 0.5536(2) 0.2474(5) 0.0405(17) Uani 1 1 d . . . . .
Ru5 Ru 0.37170(4) 0.58826(2) 0.74435(3) 0.01878(10) Uani 1 1 d . . . . .
O5 O -0.0866(5) 0.62892(18) -0.0435(3) 0.0462(13) Uani 1 1 d . . . . .
C5 C -0.0601(6) 0.6327(2) 0.0440(5) 0.0296(14) Uani 1 1 d . . . . .
Ru6 Ru 0.52885(4) 0.67473(2) 0.56521(4) 0.02244(11) Uani 1 1 d . . . . .
O6 O -0.3046(5) 0.6513(2) 0.1959(4) 0.0554(15) Uani 1 1 d . . . . .
C6 C -0.1951(6) 0.6482(2) 0.1999(5) 0.0304(14) Uani 1 1 d . . . . .
Ru7 Ru 0.62422(4) 0.60570(2) 0.69318(3) 0.02150(11) Uani 1 1 d D . . . .
O7 O 0.0099(7) 0.73745(18) 0.1455(5) 0.0722(19) Uani 1 1 d . . . . .
C7 C 0.0067(7) 0.7030(2) 0.1616(5) 0.0376(16) Uani 1 1 d . . . . .
Ru8 Ru 0.52030(5) 0.64574(2) 0.87529(3) 0.02029(10) Uani 1 1 d D . . . .
HB H 0.632(6) 0.6488(13) 0.784(4) 0.07(3) Uiso 1 1 d D . . . .
O8 O 0.4663(5) 0.6506(2) 0.2657(4) 0.0580(16) Uani 1 1 d . . . . .
C8 C 0.3761(6) 0.6291(2) 0.2579(5) 0.0357(16) Uani 1 1 d . . . . .
O9 O 0.3475(5) 0.52308(15) 0.3790(4) 0.0451(13) Uani 1 1 d . . . . .
C9 C 0.2983(7) 0.5508(2) 0.3340(4) 0.0309(14) Uani 1 1 d . . . . .
O10 O 0.2602(6) 0.55301(18) 0.0470(4) 0.0586(16) Uani 1 1 d . . . . .
C10 C 0.2422(7) 0.5677(2) 0.1212(5) 0.0399(17) Uani 1 1 d . . . . .
O11 O 0.1131(5) 0.69196(16) 0.8174(4) 0.0427(12) Uani 1 1 d . . . . .
C11 C 0.1938(6) 0.68387(18) 0.7706(5) 0.0252(13) Uani 1 1 d . . . . .
O12 O 0.3453(6) 0.76837(14) 0.6635(4) 0.0501(14) Uani 1 1 d . . . . .
C12 C 0.3403(6) 0.73302(19) 0.6710(5) 0.0302(14) Uani 1 1 d . . . . .
O13 O 0.1245(5) 0.59480(16) 0.8402(4) 0.0452(12) Uani 1 1 d . . . . .
C13 C 0.2175(6) 0.5940(2) 0.8045(5) 0.0301(14) Uani 1 1 d . . . . .
O14 O 0.2285(5) 0.53083(14) 0.5735(3) 0.0379(11) Uani 1 1 d . . . . .
C14 C 0.2823(6) 0.55248(19) 0.6350(4) 0.0262(13) Uani 1 1 d . . . . .
O15 O 0.4605(6) 0.51449(15) 0.8892(4) 0.0548(15) Uani 1 1 d . . . . .
C15 C 0.4296(7) 0.5423(2) 0.8367(5) 0.0317(14) Uani 1 1 d . . . . .
O16 O 0.7298(5) 0.6547(2) 0.4269(4) 0.0648(18) Uani 1 1 d . . . . .
C16 C 0.6546(6) 0.6633(2) 0.4770(5) 0.0386(17) Uani 1 1 d . . . . .
O17 O 0.3788(5) 0.73979(16) 0.4193(4) 0.0480(13) Uani 1 1 d . . . . .
C17 C 0.4370(7) 0.7164(2) 0.4745(5) 0.0337(15) Uani 1 1 d . . . . .
O18 O 0.7032(5) 0.73581(17) 0.7089(4) 0.0552(15) Uani 1 1 d . . . . .
C18 C 0.6397(7) 0.7130(2) 0.6555(5) 0.0371(16) Uani 1 1 d . . . . .
O19 O 0.6516(5) 0.57835(14) 1.0218(4) 0.0408(12) Uani 1 1 d . . . . .
C19 C 0.6015(6) 0.60300(19) 0.9652(4) 0.0269(13) Uani 1 1 d . . . . .
O20 O 0.3075(5) 0.65637(16) 1.0092(3) 0.0418(12) Uani 1 1 d . . . . .
C20 C 0.3849(6) 0.65194(19) 0.9579(4) 0.0275(13) Uani 1 1 d . . . . .
O21 O 0.6996(5) 0.71592(15) 0.9783(4) 0.0451(13) Uani 1 1 d . . . . .
C21 C 0.6333(6) 0.6905(2) 0.9386(5) 0.0304(14) Uani 1 1 d . . . . .
O22 O 0.6353(5) 0.55487(16) 0.4972(4) 0.0442(13) Uani 1 1 d . . . . .
C22 C 0.6283(6) 0.5730(2) 0.5712(5) 0.0301(14) Uani 1 1 d . . . . .
O23 O 0.8972(4) 0.64006(19) 0.6845(4) 0.0537(15) Uani 1 1 d . . . . .
C23 C 0.7972(6) 0.6276(2) 0.6881(5) 0.0346(15) Uani 1 1 d . . . . .
O24 O 0.7328(5) 0.53159(16) 0.8302(4) 0.0472(13) Uani 1 1 d . . . . .
C24 C 0.6894(7) 0.5594(2) 0.7826(5) 0.0322(15) Uani 1 1 d . . . . .
C25 C 0.4287(5) 0.62565(16) 0.6262(4) 0.0173(11) Uani 1 1 d . . . . .
C26 C 0.3846(5) 0.62481(17) 0.5143(4) 0.0196(11) Uani 1 1 d . . . . .
H26 H 0.414603 0.600751 0.475171 0.024 Uiso 1 1 calc R . . . .
C27 C 0.2537(5) 0.64113(16) 0.4765(4) 0.0187(11) Uani 1 1 d . . . . .
C28 C 0.1807(5) 0.63391(17) 0.3742(4) 0.0175(11) Uani 1 1 d . . . . .
C29 C 0.0880(6) 0.68444(18) 0.5153(4) 0.0242(12) Uani 1 1 d . . . . .
H29 H 0.050938 0.700784 0.563840 0.029 Uiso 1 1 calc R . . . .
C30 C 0.0227(5) 0.68080(17) 0.4147(4) 0.0210(12) Uani 1 1 d . . . . .
H30 H -0.056208 0.696158 0.392593 0.025 Uiso 1 1 calc R . . . .


_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 C1 1.951(6) . ?
Ru1 Ru2 2.8493(7) . ?
Ru1 C2 1.926(7) . ?
Ru1 Ru3 2.8723(8) . ?
Ru1 C3 1.936(7) . ?
Ru1 C4 1.924(8) . ?
O1 C1 1.128(7) . ?
N1 Ru2 2.107(4) . ?
N1 C28 1.336(7) . ?
N1 C30 1.340(7) . ?
Ru2 Ru3 2.8585(7) . ?
Ru2 H 1.72(7) . ?
Ru2 C5 1.908(6) . ?
Ru2 C6 1.912(6) . ?
Ru2 C7 1.919(7) . ?
O2 C2 1.128(8) . ?
N2 Ru4 2.102(4) . ?
N2 C27 1.351(7) . ?
N2 C29 1.349(7) . ?
Ru3 H 1.76(7) . ?
Ru3 C8 1.893(7) . ?
Ru3 C9 1.898(6) . ?
Ru3 C10 1.969(7) . ?
Ru3 C28 2.097(5) . ?
O3 C3 1.134(8) . ?
Ru4 HA 1.797(10) . ?
Ru4 Ru5 2.8635(7) . ?
Ru4 Ru6 2.8269(7) . ?
Ru4 Ru8 2.9769(7) . ?
Ru4 C11 1.920(7) . ?
Ru4 C12 1.881(6) . ?
Ru4 C25 2.114(5) . ?
O4 C4 1.148(8) . ?
Ru5 Ru7 2.8536(7) . ?
Ru5 Ru8 2.7752(7) . ?
Ru5 C13 1.901(7) . ?
Ru5 C14 1.929(6) . ?
Ru5 C15 1.923(6) . ?
Ru5 C25 2.109(5) . ?
O5 C5 1.129(7) . ?
Ru6 Ru7 2.8319(7) . ?
Ru6 C16 1.912(7) . ?
Ru6 C17 1.914(7) . ?
Ru6 C18 1.926(7) . ?
Ru6 C25 2.107(5) . ?
Ru6 C26 2.201(5) . ?
O6 C6 1.127(7) . ?
Ru7 Ru8 3.0470(7) . ?
Ru7 HB 1.802(10) . ?
Ru7 C22 1.907(7) . ?
Ru7 C23 1.928(7) . ?
Ru7 C24 1.928(6) . ?
Ru7 C25 2.148(5) . ?
O7 C7 1.120(8) . ?
Ru8 HA 1.799(10) . ?
Ru8 HB 1.797(10) . ?
Ru8 C19 1.894(6) . ?
Ru8 C20 1.916(7) . ?
Ru8 C21 1.934(7) . ?
O8 C8 1.145(8) . ?
O9 C9 1.131(7) . ?
O10 C10 1.118(8) . ?
O11 C11 1.143(7) . ?
O12 C12 1.134(7) . ?
O13 C13 1.137(8) . ?
O14 C14 1.126(7) . ?
O15 C15 1.132(7) . ?
O16 C16 1.131(8) . ?
O17 C17 1.134(8) . ?
O18 C18 1.132(8) . ?
O19 C19 1.138(7) . ?
O20 C20 1.136(7) . ?
O21 C21 1.126(7) . ?
O22 C22 1.136(7) . ?
O23 C23 1.115(8) . ?
O24 C24 1.128(7) . ?
C25 C26 1.447(7) . ?
C26 H26 1.0000 . ?
C26 C27 1.450(8) . ?
C27 C28 1.429(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.368(8) . ?
C30 H30 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 Ru2 90.16(18) . . ?
C1 Ru1 Ru3 87.54(17) . . ?
Ru2 Ru1 Ru3 59.947(17) . . ?
C2 Ru1 C1 90.8(3) . . ?
C2 Ru1 Ru2 158.4(2) . . ?
C2 Ru1 Ru3 98.5(2) . . ?
C2 Ru1 C3 93.7(3) . . ?
C3 Ru1 C1 173.8(3) . . ?
C3 Ru1 Ru2 84.1(2) . . ?
C3 Ru1 Ru3 87.6(2) . . ?
C4 Ru1 C1 88.4(3) . . ?
C4 Ru1 Ru2 101.8(2) . . ?
C4 Ru1 C2 99.8(3) . . ?
C4 Ru1 Ru3 161.3(2) . . ?
C4 Ru1 C3 95.0(3) . . ?
C28 N1 Ru2 110.5(3) . . ?
C28 N1 C30 121.9(4) . . ?
C30 N1 Ru2 127.6(4) . . ?
O1 C1 Ru1 173.4(5) . . ?
Ru1 Ru2 Ru3 60.426(18) . . ?
Ru1 Ru2 H 92(2) . . ?
N1 Ru2 Ru1 85.52(12) . . ?
N1 Ru2 Ru3 68.92(12) . . ?
N1 Ru2 H 85(2) . . ?
Ru3 Ru2 H 35(2) . . ?
C5 Ru2 Ru1 94.2(2) . . ?
C5 Ru2 N1 171.2(2) . . ?
C5 Ru2 Ru3 103.26(18) . . ?
C5 Ru2 H 87(2) . . ?
C5 Ru2 C6 89.9(2) . . ?
C5 Ru2 C7 91.3(3) . . ?
C6 Ru2 Ru1 85.4(2) . . ?
C6 Ru2 N1 98.8(2) . . ?
C6 Ru2 Ru3 143.8(2) . . ?
C6 Ru2 H 176(2) . . ?
C6 Ru2 C7 95.2(3) . . ?
C7 Ru2 Ru1 174.5(2) . . ?
C7 Ru2 N1 89.0(2) . . ?
C7 Ru2 Ru3 117.6(2) . . ?
C7 Ru2 H 88(2) . . ?
C27 N2 Ru4 115.8(3) . . ?
C29 N2 Ru4 125.2(4) . . ?
C29 N2 C27 118.6(5) . . ?
O2 C2 Ru1 179.1(7) . . ?
Ru1 Ru3 H 91(2) . . ?
Ru2 Ru3 Ru1 59.628(18) . . ?
Ru2 Ru3 H 34(2) . . ?
C8 Ru3 Ru1 170.5(2) . . ?
C8 Ru3 Ru2 112.4(2) . . ?
C8 Ru3 H 83(2) . . ?
C8 Ru3 C9 97.7(3) . . ?
C8 Ru3 C10 94.5(3) . . ?
C8 Ru3 C28 86.1(2) . . ?
C9 Ru3 Ru1 88.5(2) . . ?
C9 Ru3 Ru2 145.0(2) . . ?
C9 Ru3 H 179(2) . . ?
C9 Ru3 C10 91.9(3) . . ?
C9 Ru3 C28 97.2(2) . . ?
C10 Ru3 Ru1 92.5(2) . . ?
C10 Ru3 Ru2 102.8(2) . . ?
C10 Ru3 H 87(2) . . ?
C10 Ru3 C28 170.7(2) . . ?
C28 Ru3 Ru1 85.93(14) . . ?
C28 Ru3 Ru2 68.59(14) . . ?
C28 Ru3 H 83(2) . . ?
O3 C3 Ru1 176.7(7) . . ?
N2 Ru4 HA 166(2) . . ?
N2 Ru4 Ru5 96.93(12) . . ?
N2 Ru4 Ru6 83.44(12) . . ?
N2 Ru4 Ru8 152.95(12) . . ?
N2 Ru4 C25 78.86(19) . . ?
Ru5 Ru4 HA 90.6(5) . . ?
Ru5 Ru4 Ru8 56.702(15) . . ?
Ru6 Ru4 HA 85(3) . . ?
Ru6 Ru4 Ru5 92.857(19) . . ?
Ru6 Ru4 Ru8 91.39(2) . . ?
Ru8 Ru4 HA 34.2(4) . . ?
C11 Ru4 N2 96.4(2) . . ?
C11 Ru4 HA 94(3) . . ?
C11 Ru4 Ru5 95.90(18) . . ?
C11 Ru4 Ru6 171.19(18) . . ?
C11 Ru4 Ru8 92.61(17) . . ?
C11 Ru4 C25 140.8(2) . . ?
C12 Ru4 N2 93.9(2) . . ?
C12 Ru4 HA 77.6(4) . . ?
C12 Ru4 Ru5 167.44(19) . . ?
C12 Ru4 Ru6 82.1(2) . . ?
C12 Ru4 Ru8 111.68(18) . . ?
C12 Ru4 C11 89.1(3) . . ?
C12 Ru4 C25 129.8(3) . . ?
C25 Ru4 HA 98(2) . . ?
C25 Ru4 Ru5 47.23(14) . . ?
C25 Ru4 Ru6 47.84(14) . . ?
C25 Ru4 Ru8 78.07(14) . . ?
O4 C4 Ru1 176.6(6) . . ?
Ru7 Ru5 Ru4 81.786(18) . . ?
Ru8 Ru5 Ru4 63.709(17) . . ?
Ru8 Ru5 Ru7 65.530(17) . . ?
C13 Ru5 Ru4 84.82(19) . . ?
C13 Ru5 Ru7 160.25(19) . . ?
C13 Ru5 Ru8 95.49(19) . . ?
C13 Ru5 C14 92.0(3) . . ?
C13 Ru5 C15 90.4(3) . . ?
C13 Ru5 C25 127.3(2) . . ?
C14 Ru5 Ru4 110.91(17) . . ?
C14 Ru5 Ru7 106.33(18) . . ?
C14 Ru5 Ru8 170.25(17) . . ?
C14 Ru5 C25 87.5(2) . . ?
C15 Ru5 Ru4 154.96(19) . . ?
C15 Ru5 Ru7 95.6(2) . . ?
C15 Ru5 Ru8 92.44(18) . . ?
C15 Ru5 C14 93.8(3) . . ?
C15 Ru5 C25 142.3(3) . . ?
C25 Ru5 Ru4 47.38(15) . . ?
C25 Ru5 Ru7 48.49(15) . . ?
C25 Ru5 Ru8 83.03(15) . . ?
O5 C5 Ru2 174.6(6) . . ?
Ru4 Ru6 Ru7 82.815(18) . . ?
C16 Ru6 Ru4 168.7(2) . . ?
C16 Ru6 Ru7 90.1(2) . . ?
C16 Ru6 C17 94.4(3) . . ?
C16 Ru6 C18 95.4(3) . . ?
C16 Ru6 C25 120.9(3) . . ?
C16 Ru6 C26 100.1(3) . . ?
C17 Ru6 Ru4 91.3(2) . . ?
C17 Ru6 Ru7 170.37(19) . . ?
C17 Ru6 C18 96.5(3) . . ?
C17 Ru6 C25 121.7(2) . . ?
C17 Ru6 C26 94.7(2) . . ?
C18 Ru6 Ru4 93.6(2) . . ?
C18 Ru6 Ru7 91.5(2) . . ?
C18 Ru6 C25 121.3(2) . . ?
C18 Ru6 C26 160.1(2) . . ?
C25 Ru6 Ru4 48.06(15) . . ?
C25 Ru6 Ru7 48.90(14) . . ?
C25 Ru6 C26 39.19(19) . . ?
C26 Ru6 Ru4 69.71(14) . . ?
C26 Ru6 Ru7 76.14(14) . . ?
O6 C6 Ru2 173.3(6) . . ?
Ru5 Ru7 Ru8 55.995(15) . . ?
Ru5 Ru7 HB 86.1(9) . . ?
Ru6 Ru7 Ru5 92.961(19) . . ?
Ru6 Ru7 Ru8 89.86(2) . . ?
Ru6 Ru7 HB 76(2) . . ?
Ru8 Ru7 HB 32.1(4) . . ?
C22 Ru7 Ru5 103.97(19) . . ?
C22 Ru7 Ru6 89.61(18) . . ?
C22 Ru7 Ru8 159.90(19) . . ?
C22 Ru7 HB 163.1(15) . . ?
C22 Ru7 C23 90.8(3) . . ?
C22 Ru7 C24 91.5(3) . . ?
C22 Ru7 C25 88.9(2) . . ?
C23 Ru7 Ru5 165.1(2) . . ?
C23 Ru7 Ru6 85.8(2) . . ?
C23 Ru7 Ru8 109.2(2) . . ?
C23 Ru7 HB 79.2(10) . . ?
C23 Ru7 C24 94.1(3) . . ?
C23 Ru7 C25 133.4(2) . . ?
C24 Ru7 Ru5 86.9(2) . . ?
C24 Ru7 Ru6 178.91(18) . . ?
C24 Ru7 Ru8 89.17(18) . . ?
C24 Ru7 HB 103(2) . . ?
C24 Ru7 C25 132.5(3) . . ?
C25 Ru7 Ru5 47.32(14) . . ?
C25 Ru7 Ru6 47.65(14) . . ?
C25 Ru7 Ru8 75.99(14) . . ?
C25 Ru7 HB 88(2) . . ?
O7 C7 Ru2 175.6(7) . . ?
Ru4 Ru8 HA 34.1(4) . . ?
Ru4 Ru8 Ru7 76.815(18) . . ?
Ru4 Ru8 HB 81(2) . . ?
HA Ru8 HB 76(4) . . ?
Ru5 Ru8 Ru4 59.589(16) . . ?
Ru5 Ru8 HA 93.4(5) . . ?
Ru5 Ru8 Ru7 58.476(17) . . ?
Ru5 Ru8 HB 88.6(9) . . ?
Ru7 Ru8 HA 90(3) . . ?
Ru7 Ru8 HB 32.2(4) . . ?
C19 Ru8 Ru4 151.83(18) . . ?
C19 Ru8 HA 173.4(12) . . ?
C19 Ru8 Ru5 92.28(18) . . ?
C19 Ru8 Ru7 90.00(18) . . ?
C19 Ru8 HB 101(2) . . ?
C19 Ru8 C20 90.9(3) . . ?
C19 Ru8 C21 95.8(3) . . ?
C20 Ru8 Ru4 88.93(17) . . ?
C20 Ru8 HA 92(3) . . ?
C20 Ru8 Ru5 91.96(18) . . ?
C20 Ru8 Ru7 150.43(18) . . ?
C20 Ru8 HB 169(2) . . ?
C20 Ru8 C21 97.4(3) . . ?
C21 Ru8 Ru4 112.17(18) . . ?
C21 Ru8 HA 78.1(4) . . ?
C21 Ru8 Ru5 167.53(19) . . ?
C21 Ru8 Ru7 111.9(2) . . ?
C21 Ru8 HB 80.6(8) . . ?
O8 C8 Ru3 175.8(7) . . ?
O9 C9 Ru3 176.3(6) . . ?
O10 C10 Ru3 175.8(7) . . ?
O11 C11 Ru4 175.7(6) . . ?
O12 C12 Ru4 177.3(6) . . ?
O13 C13 Ru5 175.8(6) . . ?
O14 C14 Ru5 177.7(5) . . ?
O15 C15 Ru5 177.7(6) . . ?
O16 C16 Ru6 176.8(7) . . ?
O17 C17 Ru6 177.1(6) . . ?
O18 C18 Ru6 178.9(7) . . ?
O19 C19 Ru8 177.6(5) . . ?
O20 C20 Ru8 177.7(6) . . ?
O21 C21 Ru8 177.9(6) . . ?
O22 C22 Ru7 176.5(6) . . ?
O23 C23 Ru7 179.5(7) . . ?
O24 C24 Ru7 175.4(6) . . ?
Ru4 C25 Ru7 122.8(2) . . ?
Ru5 C25 Ru4 85.39(19) . . ?
Ru5 C25 Ru7 84.19(18) . . ?
Ru6 C25 Ru4 84.10(19) . . ?
Ru6 C25 Ru5 155.9(3) . . ?
Ru6 C25 Ru7 83.45(19) . . ?
C26 C25 Ru4 108.6(4) . . ?
C26 C25 Ru5 130.1(4) . . ?
C26 C25 Ru6 73.9(3) . . ?
C26 C25 Ru7 120.6(4) . . ?
Ru6 C26 H26 117.1 . . ?
C25 C26 Ru6 66.9(3) . . ?
C25 C26 H26 117.1 . . ?
C25 C26 C27 116.4(5) . . ?
C27 C26 Ru6 112.5(4) . . ?
C27 C26 H26 117.1 . . ?
N2 C27 C26 114.3(5) . . ?
N2 C27 C28 121.2(5) . . ?
C28 C27 C26 124.4(5) . . ?
N1 C28 Ru3 112.0(4) . . ?
N1 C28 C27 116.8(5) . . ?
C27 C28 Ru3 131.2(4) . . ?
N2 C29 H29 119.6 . . ?
N2 C29 C30 120.7(5) . . ?
C30 C29 H29 119.6 . . ?
N1 C30 C29 120.3(5) . . ?
N1 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
