# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_7-BPh4
_database_code_depnum_ccdc_archive 'CCDC 1519872'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H87 B Ru4'
_chemical_formula_weight         1271.42

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'
B B 0.0013 0.0007 '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                   16.8721(5)
_cell_length_b                   20.1549(6)
_cell_length_c                   17.1805(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.491(7)
_cell_angle_gamma                90
_cell_volume                     5831.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    57253
_cell_measurement_theta_min      3.119
_cell_measurement_theta_max      27.483

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_F_000             2608
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.372
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.086
_exptl_absorpt_coefficient_mu    1.053
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.7176
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku Rotating Anode Ultrax18'
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10
_diffrn_reflns_number            56383
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.119
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             13323
_reflns_number_gt                11190
_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       'RAPID AUTO (Rigaku, 2015)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2015)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2015)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0204P)²+9.2160P] 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         13323
_refine_ls_number_parameters     766
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.0816
_refine_ls_wR_factor_gt          0.0776
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.003
_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 0.15716(2) 0.54946(2) 0.35312(2) 0.02165(6) Uani 1 1 d . . . . .
Ru2 Ru 0.26025(2) 0.64510(2) 0.27151(2) 0.02333(6) Uani 1 1 d . . . . .
Ru3 Ru 0.32445(2) 0.53307(2) 0.34876(2) 0.02361(6) Uani 1 1 d . . . . .
Ru4 Ru 0.21488(2) 0.52011(2) 0.20634(2) 0.02240(6) Uani 1 1 d . . . . .
H1 H 0.247(2) 0.6027(19) 0.362(2) 0.046(11) Uiso 1 1 d . . . . .
H2 H 0.168(3) 0.592(2) 0.263(2) 0.068(14) Uiso 1 1 d . . . . .
H3 H 0.160(3) 0.494(2) 0.275(2) 0.064(13) Uiso 1 1 d . . . . .
H4 H 0.240(3) 0.500(3) 0.381(3) 0.098(18) Uiso 1 1 d . . . . .
H5 H 0.259(3) 0.590(2) 0.192(3) 0.075(15) Uiso 1 1 d . . . . .
H6 H 0.297(3) 0.496(2) 0.263(3) 0.066(13) Uiso 1 1 d . . . . .
H7 H 0.348(3) 0.600(2) 0.303(2) 0.059(12) Uiso 1 1 d . . . . .
C1 C 0.1063(2) 0.5785(2) 0.46412(19) 0.0390(9) Uani 1 1 d . . . . .
C2 C 0.1093(2) 0.5085(2) 0.4592(2) 0.0505(11) Uani 1 1 d . . . . .
C3 C 0.0610(2) 0.48852(17) 0.3926(3) 0.0474(11) Uani 1 1 d . . . . .
C4 C 0.02691(19) 0.54606(19) 0.3574(2) 0.0356(8) Uani 1 1 d . . . . .
C5 C 0.0552(2) 0.60130(16) 0.4015(2) 0.0314(7) Uani 1 1 d . . . . .
C6 C 0.1449(3) 0.6207(4) 0.5277(3) 0.105(3) Uani 1 1 d . . . . .
H6A H 0.199840 0.630206 0.515835 0.158 Uiso 1 1 calc R U . . .
H6B H 0.144607 0.596939 0.577511 0.158 Uiso 1 1 calc R U . . .
H6C H 0.115545 0.662386 0.531386 0.158 Uiso 1 1 calc R U . . .
C7 C 0.1470(4) 0.4629(4) 0.5200(4) 0.145(4) Uani 1 1 d . . . . .
H7A H 0.194571 0.484047 0.544439 0.218 Uiso 1 1 calc R U . . .
H7B H 0.161747 0.421196 0.495519 0.218 Uiso 1 1 calc R U . . .
H7C H 0.109191 0.453890 0.559842 0.218 Uiso 1 1 calc R U . . .
C8 C 0.0430(4) 0.4172(2) 0.3719(5) 0.126(3) Uani 1 1 d . . . . .
H8A H 0.003584 0.415567 0.327636 0.189 Uiso 1 1 calc R U . . .
H8B H 0.021956 0.394697 0.416785 0.189 Uiso 1 1 calc R U . . .
H8C H 0.091796 0.395025 0.357796 0.189 Uiso 1 1 calc R U . . .
C9 C -0.0348(3) 0.5489(4) 0.2912(3) 0.101(3) Uani 1 1 d . . . . .
H9A H -0.087566 0.552271 0.311818 0.151 Uiso 1 1 calc R U . . .
H9B H -0.031984 0.508562 0.259654 0.151 Uiso 1 1 calc R U . . .
H9C H -0.025367 0.587763 0.258742 0.151 Uiso 1 1 calc R U . . .
C10 C 0.0215(3) 0.6697(2) 0.3901(4) 0.084(2) Uani 1 1 d . . . . .
H10A H -0.032941 0.670571 0.406888 0.126 Uiso 1 1 calc R U . . .
H10B H 0.021395 0.681764 0.334855 0.126 Uiso 1 1 calc R U . . .
H10C H 0.054122 0.701437 0.421162 0.126 Uiso 1 1 calc R U . . .
C11 C 0.1999(2) 0.73625(14) 0.2299(2) 0.0298(7) Uani 1 1 d . . . . .
C12 C 0.2657(2) 0.72289(15) 0.18312(19) 0.0350(8) Uani 1 1 d . . . . .
C13 C 0.3366(2) 0.72495(16) 0.2318(2) 0.0373(8) Uani 1 1 d . . . . .
C14 C 0.3160(2) 0.74051(15) 0.3083(2) 0.0338(8) Uani 1 1 d . . . . .
C15 C 0.2331(2) 0.74661(14) 0.30808(18) 0.0298(7) Uani 1 1 d . . . . .
C16 C 0.1153(2) 0.7436(2) 0.2008(3) 0.0546(11) Uani 1 1 d . . . . .
H16A H 0.106252 0.788893 0.181359 0.082 Uiso 1 1 calc R U . . .
H16B H 0.080659 0.734901 0.243353 0.082 Uiso 1 1 calc R U . . .
H16C H 0.103409 0.711946 0.158377 0.082 Uiso 1 1 calc R U . . .
C17 C 0.2624(4) 0.7179(2) 0.0956(2) 0.0622(14) Uani 1 1 d . . . . .
H17A H 0.271745 0.761734 0.073312 0.093 Uiso 1 1 calc R U . . .
H17B H 0.209983 0.701686 0.076618 0.093 Uiso 1 1 calc R U . . .
H17C H 0.303333 0.686957 0.079953 0.093 Uiso 1 1 calc R U . . .
C18 C 0.4200(3) 0.7202(2) 0.2047(3) 0.0698(15) Uani 1 1 d . . . . .
H18A H 0.436757 0.763792 0.186481 0.105 Uiso 1 1 calc R U . . .
H18B H 0.421111 0.688115 0.161887 0.105 Uiso 1 1 calc R U . . .
H18C H 0.456194 0.705602 0.248087 0.105 Uiso 1 1 calc R U . . .
C19 C 0.3714(3) 0.7592(2) 0.3773(3) 0.0699(15) Uani 1 1 d . . . . .
H19A H 0.372502 0.807598 0.383073 0.105 Uiso 1 1 calc R U . . .
H19B H 0.425049 0.743104 0.368918 0.105 Uiso 1 1 calc R U . . .
H19C H 0.352679 0.739086 0.424774 0.105 Uiso 1 1 calc R U . . .
C20 C 0.1895(3) 0.77082(19) 0.3765(2) 0.0597(13) Uani 1 1 d . . . . .
H20A H 0.195975 0.738657 0.419248 0.090 Uiso 1 1 calc R U . . .
H20B H 0.133011 0.775775 0.360974 0.090 Uiso 1 1 calc R U . . .
H20C H 0.211289 0.813774 0.393975 0.090 Uiso 1 1 calc R U . . .
C21A C 0.4172(8) 0.5509(7) 0.4460(10) 0.030(2) Uani 0.498(5) 1 d . . P A 1
C22A C 0.4558(8) 0.5446(7) 0.3757(12) 0.027(3) Uani 0.498(5) 1 d . . P A 1
C23A C 0.4402(8) 0.4826(10) 0.3428(8) 0.026(3) Uani 0.498(5) 1 d . . P A 1
C24A C 0.3909(8) 0.4469(5) 0.3959(12) 0.027(2) Uani 0.498(5) 1 d . . P A 1
C25A C 0.3772(8) 0.4903(10) 0.4596(8) 0.027(2) Uani 0.498(5) 1 d . . P A 1
C26A C 0.4215(6) 0.6080(4) 0.5051(5) 0.056(3) Uani 0.498(5) 1 d . . P A 1
H26A H 0.466034 0.600653 0.543386 0.084 Uiso 0.498(5) 1 calc R U P A 1
H26B H 0.371850 0.609935 0.531873 0.084 Uiso 0.498(5) 1 calc R U P A 1
H26C H 0.429182 0.649996 0.477771 0.084 Uiso 0.498(5) 1 calc R U P A 1
C27A C 0.5135(5) 0.5957(4) 0.3454(6) 0.053(2) Uani 0.498(5) 1 d . . P A 1
H27A H 0.566246 0.589147 0.371350 0.080 Uiso 0.498(5) 1 calc R U P A 1
H27B H 0.494571 0.640512 0.356603 0.080 Uiso 0.498(5) 1 calc R U P A 1
H27C H 0.516513 0.590323 0.289015 0.080 Uiso 0.498(5) 1 calc R U P A 1
C28A C 0.4790(5) 0.4550(6) 0.2740(5) 0.059(3) Uani 0.498(5) 1 d . . P A 1
H28A H 0.478844 0.488607 0.232774 0.089 Uiso 0.498(5) 1 calc R U P A 1
H28B H 0.449790 0.415739 0.254662 0.089 Uiso 0.498(5) 1 calc R U P A 1
H28C H 0.533906 0.442594 0.289450 0.089 Uiso 0.498(5) 1 calc R U P A 1
C29A C 0.3659(6) 0.3757(4) 0.3873(6) 0.057(3) Uani 0.498(5) 1 d . . P A 1
H29A H 0.355433 0.365305 0.331939 0.085 Uiso 0.498(5) 1 calc R U P A 1
H29B H 0.317503 0.368449 0.414997 0.085 Uiso 0.498(5) 1 calc R U P A 1
H29C H 0.408287 0.346932 0.409449 0.085 Uiso 0.498(5) 1 calc R U P A 1
C30A C 0.3390(5) 0.4732(5) 0.5342(5) 0.055(3) Uani 0.498(5) 1 d . . P A 1
H30A H 0.379756 0.471641 0.577362 0.083 Uiso 0.498(5) 1 calc R U P A 1
H30B H 0.312974 0.429885 0.528739 0.083 Uiso 0.498(5) 1 calc R U P A 1
H30C H 0.299488 0.507110 0.545091 0.083 Uiso 0.498(5) 1 calc R U P A 1
C21B C 0.3929(8) 0.5190(10) 0.4581(6) 0.028(3) Uani 0.502(5) 1 d . . P A 2
C22B C 0.4396(8) 0.5537(7) 0.4047(11) 0.029(3) Uani 0.502(5) 1 d . . P A 2
C23B C 0.4503(9) 0.5105(10) 0.3422(9) 0.029(3) Uani 0.502(5) 1 d . . P A 2
C24B C 0.4113(8) 0.4489(7) 0.3547(9) 0.031(2) Uani 0.502(5) 1 d . . P A 2
C25B C 0.3751(6) 0.4547(8) 0.4285(11) 0.026(3) Uani 0.502(5) 1 d . . P A 2
C26B C 0.3712(6) 0.5446(5) 0.5361(4) 0.058(3) Uani 0.502(5) 1 d . . P A 2
H26D H 0.419701 0.553523 0.568705 0.087 Uiso 0.502(5) 1 calc R U P A 2
H26E H 0.339217 0.511358 0.561477 0.087 Uiso 0.502(5) 1 calc R U P A 2
H26F H 0.340553 0.585699 0.528861 0.087 Uiso 0.502(5) 1 calc R U P A 2
C27B C 0.4774(6) 0.6189(4) 0.4209(6) 0.065(3) Uani 0.502(5) 1 d . . P A 2
H27D H 0.526346 0.612656 0.453822 0.098 Uiso 0.502(5) 1 calc R U P A 2
H27E H 0.440860 0.647328 0.448018 0.098 Uiso 0.502(5) 1 calc R U P A 2
H27F H 0.489965 0.639789 0.371699 0.098 Uiso 0.502(5) 1 calc R U P A 2
C28B C 0.5001(5) 0.5242(6) 0.2731(5) 0.064(3) Uani 0.502(5) 1 d . . P A 2
H28D H 0.547698 0.496235 0.276787 0.097 Uiso 0.502(5) 1 calc R U P A 2
H28E H 0.515881 0.571043 0.273363 0.097 Uiso 0.502(5) 1 calc R U P A 2
H28F H 0.468900 0.514272 0.224506 0.097 Uiso 0.502(5) 1 calc R U P A 2
C29B C 0.4157(6) 0.3855(4) 0.3092(6) 0.061(3) Uani 0.502(5) 1 d . . P A 2
H29D H 0.428017 0.395631 0.255498 0.092 Uiso 0.502(5) 1 calc R U P A 2
H29E H 0.364476 0.362542 0.309061 0.092 Uiso 0.502(5) 1 calc R U P A 2
H29F H 0.457309 0.357088 0.333458 0.092 Uiso 0.502(5) 1 calc R U P A 2
C30B C 0.3359(5) 0.3967(4) 0.4675(6) 0.064(3) Uani 0.502(5) 1 d . . P A 2
H30D H 0.292903 0.379105 0.432550 0.096 Uiso 0.502(5) 1 calc R U P A 2
H30E H 0.314124 0.411841 0.516093 0.096 Uiso 0.502(5) 1 calc R U P A 2
H30F H 0.375313 0.361873 0.479221 0.096 Uiso 0.502(5) 1 calc R U P A 2
C31 C 0.1293(2) 0.46090(17) 0.13421(18) 0.0305(7) Uani 1 1 d . . . . .
C32 C 0.1979(2) 0.42121(15) 0.15492(17) 0.0264(7) Uani 1 1 d . . . . .
C33 C 0.2643(2) 0.45106(15) 0.11945(17) 0.0274(7) Uani 1 1 d . . . . .
C34 C 0.2369(2) 0.50946(16) 0.07871(17) 0.0297(7) Uani 1 1 d . . . . .
C35 C 0.1534(2) 0.51621(17) 0.08834(18) 0.0317(7) Uani 1 1 d . . . . .
C36 C 0.0450(2) 0.4413(2) 0.1458(2) 0.0448(9) Uani 1 1 d . . . . .
H36A H 0.024850 0.413804 0.101851 0.067 Uiso 1 1 calc R U . . .
H36B H 0.012148 0.481244 0.148656 0.067 Uiso 1 1 calc R U . . .
H36C H 0.042831 0.416057 0.194353 0.067 Uiso 1 1 calc R U . . .
C37 C 0.1987(2) 0.35689(17) 0.1980(2) 0.0377(8) Uani 1 1 d . . . . .
H37A H 0.156320 0.356859 0.234571 0.057 Uiso 1 1 calc R U . . .
H37B H 0.250152 0.351269 0.226993 0.057 Uiso 1 1 calc R U . . .
H37C H 0.190244 0.320314 0.160884 0.057 Uiso 1 1 calc R U . . .
C38 C 0.3457(2) 0.42301(18) 0.1147(2) 0.0351(8) Uani 1 1 d . . . . .
H38A H 0.350081 0.401830 0.063801 0.053 Uiso 1 1 calc R U . . .
H38B H 0.355557 0.390031 0.156086 0.053 Uiso 1 1 calc R U . . .
H38C H 0.384954 0.458742 0.121118 0.053 Uiso 1 1 calc R U . . .
C39 C 0.2868(2) 0.54985(18) 0.0272(2) 0.0406(9) Uani 1 1 d . . . . .
H39A H 0.336368 0.562423 0.056162 0.061 Uiso 1 1 calc R U . . .
H39B H 0.257747 0.589946 0.010291 0.061 Uiso 1 1 calc R U . . .
H39C H 0.298988 0.523590 -0.018591 0.061 Uiso 1 1 calc R U . . .
C40 C 0.0990(3) 0.5666(2) 0.0505(2) 0.0493(10) Uani 1 1 d . . . . .
H40A H 0.128715 0.607315 0.041309 0.074 Uiso 1 1 calc R U . . .
H40B H 0.055971 0.576268 0.084558 0.074 Uiso 1 1 calc R U . . .
H40C H 0.076559 0.549198 0.000578 0.074 Uiso 1 1 calc R U . . .
B1 B 0.7253(2) 0.62765(16) 0.18178(19) 0.0227(7) Uani 1 1 d . . . . .
C41 C 0.79681(18) 0.66518(14) 0.13782(17) 0.0226(6) Uani 1 1 d . . . . .
C42 C 0.8105(2) 0.65126(17) 0.05922(19) 0.0338(8) Uani 1 1 d . . . . .
H42 H 0.775554 0.621633 0.031116 0.041 Uiso 1 1 calc R U . . .
C43 C 0.8726(2) 0.6789(2) 0.0214(2) 0.0435(9) Uani 1 1 d . . . . .
H43 H 0.879840 0.667623 -0.031376 0.052 Uiso 1 1 calc R U . . .
C44 C 0.9241(2) 0.7228(2) 0.0601(2) 0.0441(9) Uani 1 1 d . . . . .
H44 H 0.967187 0.741526 0.034488 0.053 Uiso 1 1 calc R U . . .
C45 C 0.9120(2) 0.73912(17) 0.1365(2) 0.0390(8) Uani 1 1 d . . . . .
H45 H 0.946338 0.769724 0.163721 0.047 Uiso 1 1 calc R U . . .
C46 C 0.8493(2) 0.71059(15) 0.17358(19) 0.0285(7) Uani 1 1 d . . . . .
H46 H 0.841933 0.722800 0.226068 0.034 Uiso 1 1 calc R U . . .
C47 C 0.70882(19) 0.66606(14) 0.26413(17) 0.0239(6) Uani 1 1 d . . . . .
C48 C 0.7635(2) 0.66074(15) 0.32898(17) 0.0281(7) Uani 1 1 d . . . . .
H48 H 0.808221 0.632491 0.325193 0.034 Uiso 1 1 calc R U . . .
C49 C 0.7553(2) 0.69480(16) 0.39820(18) 0.0338(8) Uani 1 1 d . . . . .
H49 H 0.794667 0.690589 0.439874 0.041 Uiso 1 1 calc R U . . .
C50 C 0.6896(2) 0.73506(17) 0.40656(19) 0.0363(8) Uani 1 1 d . . . . .
H50 H 0.683383 0.758488 0.453785 0.044 Uiso 1 1 calc R U . . .
C51 C 0.6331(2) 0.74046(17) 0.3449(2) 0.0353(8) Uani 1 1 d . . . . .
H51 H 0.587364 0.767187 0.350010 0.042 Uiso 1 1 calc R U . . .
C52 C 0.64332(19) 0.70662(15) 0.27480(19) 0.0276(7) Uani 1 1 d . . . . .
H52 H 0.604159 0.711492 0.233069 0.033 Uiso 1 1 calc R U . . .
C53 C 0.75156(18) 0.55027(14) 0.20251(17) 0.0225(6) Uani 1 1 d . . . . .
C54 C 0.8068(2) 0.51368(15) 0.16226(19) 0.0286(7) Uani 1 1 d . . . . .
H54 H 0.833124 0.534806 0.121674 0.034 Uiso 1 1 calc R U . . .
C55 C 0.8245(2) 0.44789(17) 0.1794(2) 0.0387(8) Uani 1 1 d . . . . .
H55 H 0.862610 0.425172 0.150884 0.046 Uiso 1 1 calc R U . . .
C56 C 0.7872(2) 0.41510(16) 0.2374(2) 0.0384(8) Uani 1 1 d . . . . .
H56 H 0.799025 0.369927 0.248814 0.046 Uiso 1 1 calc R U . . .
C57 C 0.7324(3) 0.44907(17) 0.2786(2) 0.0411(9) Uani 1 1 d . . . . .
H57 H 0.706178 0.427244 0.318806 0.049 Uiso 1 1 calc R U . . .
C58 C 0.7155(2) 0.51522(16) 0.26148(19) 0.0341(8) Uani 1 1 d . . . . .
H58 H 0.677909 0.537653 0.290963 0.041 Uiso 1 1 calc R U . . .
C59 C 0.64374(18) 0.62742(15) 0.12430(16) 0.0232(6) Uani 1 1 d . . . . .
C60 C 0.59371(19) 0.57206(16) 0.11176(18) 0.0276(7) Uani 1 1 d . . . . .
H60 H 0.608146 0.531277 0.136474 0.033 Uiso 1 1 calc R U . . .
C61 C 0.5236(2) 0.57496(19) 0.06432(19) 0.0346(8) Uani 1 1 d . . . . .
H61 H 0.491252 0.536534 0.058235 0.042 Uiso 1 1 calc R U . . .
C62 C 0.5007(2) 0.6325(2) 0.0262(2) 0.0391(8) Uani 1 1 d . . . . .
H62 H 0.453307 0.634015 -0.006589 0.047 Uiso 1 1 calc R U . . .
C63 C 0.5488(2) 0.68881(19) 0.0369(2) 0.0367(8) Uani 1 1 d . . . . .
H63 H 0.533991 0.729257 0.011673 0.044 Uiso 1 1 calc R U . . .
C64 C 0.6180(2) 0.68544(16) 0.08435(18) 0.0287(7) Uani 1 1 d . . . . .
H64 H 0.649807 0.724208 0.090316 0.034 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C3 2.176(3) . ?
Ru1 C2 2.199(3) . ?
Ru1 C4 2.204(3) . ?
Ru1 C5 2.217(3) . ?
Ru1 C1 2.217(3) . ?
Ru1 Ru4 2.8207(3) . ?
Ru1 Ru3 2.8474(4) . ?
Ru1 Ru2 3.0006(4) . ?
Ru1 H1 1.86(4) . ?
Ru1 H2 1.78(4) . ?
Ru1 H3 1.75(4) . ?
Ru1 H4 1.76(6) . ?
Ru2 C12 2.189(3) . ?
Ru2 C13 2.196(3) . ?
Ru2 C15 2.196(3) . ?
Ru2 C11 2.198(3) . ?
Ru2 C14 2.216(3) . ?
Ru2 Ru3 2.8034(3) . ?
Ru2 Ru4 2.8429(3) . ?
Ru2 H1 1.79(4) . ?
Ru2 H2 1.88(5) . ?
Ru2 H5 1.75(5) . ?
Ru2 H7 1.79(4) . ?
Ru3 C22B 2.156(12) . ?
Ru3 C21B 2.163(11) . ?
Ru3 C23B 2.181(14) . ?
Ru3 C24A 2.195(9) . ?
Ru3 C23A 2.210(13) . ?
Ru3 C25A 2.226(12) . ?
Ru3 C25B 2.227(10) . ?
Ru3 C24B 2.240(9) . ?
Ru3 C21A 2.248(10) . ?
Ru3 C22A 2.249(13) . ?
Ru3 H1 1.94(4) . ?
Ru3 H4 1.69(6) . ?
Ru3 H6 1.70(4) . ?
Ru3 H7 1.63(4) . ?
Ru4 C32 2.192(3) . ?
Ru4 C31 2.197(3) . ?
Ru4 C35 2.222(3) . ?
Ru4 C33 2.239(3) . ?
Ru4 C34 2.256(3) . ?
Ru4 H2 1.94(4) . ?
Ru4 H3 1.64(4) . ?
Ru4 H5 1.62(5) . ?
Ru4 H6 1.71(5) . ?
C1 C5 1.413(5) . ?
C1 C2 1.414(6) . ?
C1 C6 1.502(5) . ?
C2 C3 1.422(6) . ?
C2 C7 1.502(6) . ?
C3 C4 1.414(6) . ?
C3 C8 1.507(6) . ?
C4 C5 1.414(5) . ?
C4 C9 1.496(6) . ?
C5 C10 1.500(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.435(5) . ?
C11 C15 1.438(5) . ?
C11 C16 1.492(5) . ?
C12 C13 1.417(5) . ?
C12 C17 1.504(5) . ?
C13 C14 1.415(5) . ?
C13 C18 1.512(5) . ?
C14 C15 1.404(5) . ?
C14 C19 1.513(5) . ?
C15 C20 1.506(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21A C22A 1.414(14) . ?
C21A C25A 1.421(13) . ?
C21A C26A 1.534(14) . ?
C22A C23A 1.389(18) . ?
C22A C27A 1.530(17) . ?
C23A C24A 1.460(17) . ?
C23A C28A 1.493(18) . ?
C24A C25A 1.430(17) . ?
C24A C29A 1.501(13) . ?
C25A C30A 1.510(16) . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C21B C25B 1.419(17) . ?
C21B C22B 1.428(16) . ?
C21B C26B 1.501(14) . ?
C22B C23B 1.403(19) . ?
C22B C27B 1.479(16) . ?
C23B C24B 1.427(14) . ?
C23B C28B 1.522(19) . ?
C24B C25B 1.445(13) . ?
C24B C29B 1.501(13) . ?
C25B C30B 1.518(14) . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C31 C32 1.434(5) . ?
C31 C35 1.438(5) . ?
C31 C36 1.501(5) . ?
C32 C33 1.439(4) . ?
C32 C37 1.493(5) . ?
C33 C34 1.432(5) . ?
C33 C38 1.492(5) . ?
C34 C35 1.435(5) . ?
C34 C39 1.499(5) . ?
C35 C40 1.491(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
B1 C59 1.645(5) . ?
B1 C41 1.646(4) . ?
B1 C47 1.651(4) . ?
B1 C53 1.654(4) . ?
C41 C46 1.390(4) . ?
C41 C42 1.412(4) . ?
C42 C43 1.383(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.381(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.396(4) . ?
C47 C48 1.407(4) . ?
C48 C49 1.387(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.389(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.385(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.403(4) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.403(4) . ?
C53 C58 1.404(4) . ?
C54 C55 1.387(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.379(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.380(5) . ?
C56 H56 0.9500 . ?
C57 C58 1.391(5) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.408(4) . ?
C59 C64 1.411(4) . ?
C60 C61 1.396(5) . ?
C60 H60 0.9500 . ?
C61 C62 1.376(5) . ?
C61 H61 0.9500 . ?
C62 C63 1.401(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.384(5) . ?
C63 H63 0.9500 . ?
C64 H64 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
C3 Ru1 C2 37.92(17) . . ?
C3 Ru1 C4 37.67(15) . . ?
C2 Ru1 C4 62.85(15) . . ?
C3 Ru1 C5 62.55(13) . . ?
C2 Ru1 C5 62.21(13) . . ?
C4 Ru1 C5 37.30(12) . . ?
C3 Ru1 C1 62.96(14) . . ?
C2 Ru1 C1 37.35(16) . . ?
C4 Ru1 C1 62.64(13) . . ?
C5 Ru1 C1 37.17(13) . . ?
C3 Ru1 Ru4 117.71(11) . . ?
C2 Ru1 Ru4 145.73(13) . . ?
C4 Ru1 Ru4 114.99(9) . . ?
C5 Ru1 Ru4 138.78(9) . . ?
C1 Ru1 Ru4 175.69(11) . . ?
C3 Ru1 Ru3 134.56(11) . . ?
C2 Ru1 Ru3 113.13(11) . . ?
C4 Ru1 Ru3 171.55(10) . . ?
C5 Ru1 Ru3 149.02(9) . . ?
C1 Ru1 Ru3 119.32(10) . . ?
Ru4 Ru1 Ru3 63.604(11) . . ?
C3 Ru1 Ru2 166.59(13) . . ?
C2 Ru1 Ru2 151.77(14) . . ?
C4 Ru1 Ru2 130.01(10) . . ?
C5 Ru1 Ru2 110.94(8) . . ?
C1 Ru1 Ru2 119.89(10) . . ?
Ru4 Ru1 Ru2 58.367(9) . . ?
Ru3 Ru1 Ru2 57.216(8) . . ?
C3 Ru1 H1 157.4(11) . . ?
C2 Ru1 H1 119.5(11) . . ?
C4 Ru1 H1 145.9(12) . . ?
C5 Ru1 H1 110.4(12) . . ?
C1 Ru1 H1 98.0(11) . . ?
Ru4 Ru1 H1 82.3(11) . . ?
Ru3 Ru1 H1 42.4(12) . . ?
Ru2 Ru1 H1 34.0(11) . . ?
C3 Ru1 H2 131.4(15) . . ?
C2 Ru1 H2 163.8(15) . . ?
C4 Ru1 H2 101.7(15) . . ?
C5 Ru1 H2 102.9(15) . . ?
C1 Ru1 H2 133.2(14) . . ?
Ru4 Ru1 H2 42.9(14) . . ?
Ru3 Ru1 H2 82.8(15) . . ?
Ru2 Ru1 H2 36.2(15) . . ?
H1 Ru1 H2 70.2(18) . . ?
C3 Ru1 H3 86.0(15) . . ?
C2 Ru1 H3 114.9(14) . . ?
C4 Ru1 H3 94.3(15) . . ?
C5 Ru1 H3 130.1(15) . . ?
C1 Ru1 H3 148.9(15) . . ?
Ru4 Ru1 H3 32.4(14) . . ?
Ru3 Ru1 H3 80.6(15) . . ?
Ru2 Ru1 H3 90.7(14) . . ?
H1 Ru1 H3 111.9(18) . . ?
H2 Ru1 H3 69(2) . . ?
C3 Ru1 H4 101.1(18) . . ?
C2 Ru1 H4 83.8(18) . . ?
C4 Ru1 H4 138.8(18) . . ?
C5 Ru1 H4 142.1(17) . . ?
C1 Ru1 H4 105.2(17) . . ?
Ru4 Ru1 H4 79.0(17) . . ?
Ru3 Ru1 H4 33.6(18) . . ?
Ru2 Ru1 H4 90.8(18) . . ?
H1 Ru1 H4 71(2) . . ?
H2 Ru1 H4 112(2) . . ?
H3 Ru1 H4 78(2) . . ?
C12 Ru2 C13 37.70(14) . . ?
C12 Ru2 C15 63.23(12) . . ?
C13 Ru2 C15 62.78(13) . . ?
C12 Ru2 C11 38.20(13) . . ?
C13 Ru2 C11 63.58(13) . . ?
C15 Ru2 C11 38.20(12) . . ?
C12 Ru2 C14 62.68(12) . . ?
C13 Ru2 C14 37.41(13) . . ?
C15 Ru2 C14 37.10(13) . . ?
C11 Ru2 C14 63.10(12) . . ?
C12 Ru2 Ru3 150.94(10) . . ?
C13 Ru2 Ru3 121.37(10) . . ?
C15 Ru2 Ru3 134.11(9) . . ?
C11 Ru2 Ru3 170.03(9) . . ?
C14 Ru2 Ru3 114.76(9) . . ?
C12 Ru2 Ru4 112.54(9) . . ?
C13 Ru2 Ru4 132.52(10) . . ?
C15 Ru2 Ru4 151.92(10) . . ?
C11 Ru2 Ru4 120.30(9) . . ?
C14 Ru2 Ru4 168.75(10) . . ?
Ru3 Ru2 Ru4 63.876(10) . . ?
C12 Ru2 Ru1 146.57(11) . . ?
C13 Ru2 Ru1 169.66(10) . . ?
C15 Ru2 Ru1 109.15(9) . . ?
C11 Ru2 Ru1 114.75(9) . . ?
C14 Ru2 Ru1 132.26(10) . . ?
Ru3 Ru2 Ru1 58.641(8) . . ?
Ru4 Ru2 Ru1 57.649(8) . . ?
C12 Ru2 H1 162.4(12) . . ?
C13 Ru2 H1 136.3(12) . . ?
C15 Ru2 H1 99.2(12) . . ?
C11 Ru2 H1 126.9(12) . . ?
C14 Ru2 H1 103.9(12) . . ?
Ru3 Ru2 H1 43.2(12) . . ?
Ru4 Ru2 H1 82.7(12) . . ?
Ru1 Ru2 H1 35.5(12) . . ?
C12 Ru2 H2 115.2(13) . . ?
C13 Ru2 H2 152.9(13) . . ?
C15 Ru2 H2 111.5(14) . . ?
C11 Ru2 H2 95.1(14) . . ?
C14 Ru2 H2 148.1(14) . . ?
Ru3 Ru2 H2 82.4(14) . . ?
Ru4 Ru2 H2 42.7(13) . . ?
Ru1 Ru2 H2 33.9(13) . . ?
H1 Ru2 H2 69.4(18) . . ?
C12 Ru2 H5 85.0(15) . . ?
C13 Ru2 H5 101.5(16) . . ?
C15 Ru2 H5 144.9(15) . . ?
C11 Ru2 H5 107.1(15) . . ?
C14 Ru2 H5 138.9(16) . . ?
Ru3 Ru2 H5 81.0(15) . . ?
Ru4 Ru2 H5 31.2(15) . . ?
Ru1 Ru2 H5 88.7(15) . . ?
H1 Ru2 H5 112(2) . . ?
H2 Ru2 H5 67(2) . . ?
C12 Ru2 H7 120.0(13) . . ?
C13 Ru2 H7 88.4(13) . . ?
C15 Ru2 H7 124.6(13) . . ?
C11 Ru2 H7 151.4(14) . . ?
C14 Ru2 H7 91.3(14) . . ?
Ru3 Ru2 H7 33.1(13) . . ?
Ru4 Ru2 H7 82.5(13) . . ?
Ru1 Ru2 H7 91.6(13) . . ?
H1 Ru2 H7 69.0(18) . . ?
H2 Ru2 H7 113(2) . . ?
H5 Ru2 H7 83(2) . . ?
C22B Ru3 C21B 38.6(4) . . ?
C22B Ru3 C23B 37.7(5) . . ?
C21B Ru3 C23B 63.1(5) . . ?
C24A Ru3 C23A 38.7(4) . . ?
C24A Ru3 C25A 37.7(4) . . ?
C23A Ru3 C25A 63.4(5) . . ?
C22B Ru3 C25B 64.0(5) . . ?
C21B Ru3 C25B 37.7(4) . . ?
C23B Ru3 C25B 63.0(5) . . ?
C22B Ru3 C24B 63.7(5) . . ?
C21B Ru3 C24B 63.1(4) . . ?
C23B Ru3 C24B 37.6(4) . . ?
C25B Ru3 C24B 37.8(3) . . ?
C24A Ru3 C21A 62.3(4) . . ?
C23A Ru3 C21A 62.0(5) . . ?
C25A Ru3 C21A 37.0(3) . . ?
C24A Ru3 C22A 62.0(5) . . ?
C23A Ru3 C22A 36.3(4) . . ?
C25A Ru3 C22A 61.7(5) . . ?
C21A Ru3 C22A 36.7(4) . . ?
C22B Ru3 Ru2 111.6(3) . . ?
C21B Ru3 Ru2 133.4(6) . . ?
C23B Ru3 Ru2 119.5(5) . . ?
C24A Ru3 Ru2 170.4(5) . . ?
C23A Ru3 Ru2 131.8(4) . . ?
C25A Ru3 Ru2 147.1(5) . . ?
C25B Ru3 Ru2 170.2(6) . . ?
C24B Ru3 Ru2 149.8(5) . . ?
C21A Ru3 Ru2 117.0(4) . . ?
C22A Ru3 Ru2 111.2(4) . . ?
C22B Ru3 Ru1 146.5(6) . . ?
C21B Ru3 Ru1 118.0(3) . . ?
C23B Ru3 Ru1 174.4(6) . . ?
C24A Ru3 Ru1 124.6(4) . . ?
C23A Ru3 Ru1 159.2(5) . . ?
C25A Ru3 Ru1 111.6(4) . . ?
C25B Ru3 Ru1 114.2(3) . . ?
C24B Ru3 Ru1 137.2(5) . . ?
C21A Ru3 Ru1 127.5(4) . . ?
C22A Ru3 Ru1 161.6(5) . . ?
Ru2 Ru3 Ru1 64.143(9) . . ?
C22B Ru3 H1 113.8(13) . . ?
C21B Ru3 H1 108.9(11) . . ?
C23B Ru3 H1 145.1(13) . . ?
C24A Ru3 H1 149.7(12) . . ?
C23A Ru3 H1 160.3(13) . . ?
C25A Ru3 H1 114.9(11) . . ?
C25B Ru3 H1 132.8(12) . . ?
C24B Ru3 H1 170.6(12) . . ?
C21A Ru3 H1 104.0(12) . . ?
C22A Ru3 H1 124.3(12) . . ?
Ru2 Ru3 H1 39.3(11) . . ?
Ru1 Ru3 H1 40.4(11) . . ?
C22B Ru3 H4 133.2(19) . . ?
C21B Ru3 H4 94.7(19) . . ?
C23B Ru3 H4 141(2) . . ?
C24A Ru3 H4 89.4(19) . . ?
C23A Ru3 H4 126.6(19) . . ?
C25A Ru3 H4 82.6(19) . . ?
C25B Ru3 H4 79.6(19) . . ?
C24B Ru3 H4 104(2) . . ?
C21A Ru3 H4 112.5(19) . . ?
C22A Ru3 H4 144.2(19) . . ?
Ru2 Ru3 H4 99.4(19) . . ?
Ru1 Ru3 H4 35.2(19) . . ?
H1 Ru3 H4 70(2) . . ?
C22B Ru3 H6 131.6(17) . . ?
C21B Ru3 H6 143.2(16) . . ?
C23B Ru3 H6 94.4(16) . . ?
C24A Ru3 H6 94.4(16) . . ?
C23A Ru3 H6 87.1(16) . . ?
C25A Ru3 H6 130.3(16) . . ?
C25B Ru3 H6 107.1(16) . . ?
C24B Ru3 H6 81.1(16) . . ?
C21A Ru3 H6 149.1(16) . . ?
C22A Ru3 H6 115.9(17) . . ?
Ru2 Ru3 H6 82.5(15) . . ?
Ru1 Ru3 H6 81.8(16) . . ?
H1 Ru3 H6 105.8(19) . . ?
H4 Ru3 H6 85(2) . . ?
C22B Ru3 H7 79.5(15) . . ?
C21B Ru3 H7 113.5(16) . . ?
C23B Ru3 H7 83.3(16) . . ?
C24A Ru3 H7 134.7(16) . . ?
C23A Ru3 H7 96.9(16) . . ?
C25A Ru3 H7 129.9(16) . . ?
C25B Ru3 H7 142.5(15) . . ?
C24B Ru3 H7 118.3(16) . . ?
C21A Ru3 H7 92.8(16) . . ?
C22A Ru3 H7 75.5(16) . . ?
Ru2 Ru3 H7 36.7(15) . . ?
Ru1 Ru3 H7 100.7(15) . . ?
H1 Ru3 H7 68.7(18) . . ?
H4 Ru3 H7 136(2) . . ?
H6 Ru3 H7 90(2) . . ?
C32 Ru4 C31 38.14(12) . . ?
C32 Ru4 C35 63.76(12) . . ?
C31 Ru4 C35 37.98(13) . . ?
C32 Ru4 C33 37.88(11) . . ?
C31 Ru4 C33 62.93(12) . . ?
C35 Ru4 C33 62.73(12) . . ?
C32 Ru4 C34 63.06(11) . . ?
C31 Ru4 C34 62.71(12) . . ?
C35 Ru4 C34 37.36(13) . . ?
C33 Ru4 C34 37.15(12) . . ?
C32 Ru4 Ru1 120.48(8) . . ?
C31 Ru4 Ru1 111.55(9) . . ?
C35 Ru4 Ru1 130.96(9) . . ?
C33 Ru4 Ru1 152.79(8) . . ?
C34 Ru4 Ru1 167.13(9) . . ?
C32 Ru4 Ru2 171.89(9) . . ?
C31 Ru4 Ru2 148.81(9) . . ?
C35 Ru4 Ru2 119.36(9) . . ?
C33 Ru4 Ru2 135.34(8) . . ?
C34 Ru4 Ru2 114.26(8) . . ?
Ru1 Ru4 Ru2 63.983(9) . . ?
C32 Ru4 Ru3 117.95(9) . . ?
C31 Ru4 Ru3 149.57(9) . . ?
C35 Ru4 Ru3 169.09(10) . . ?
C33 Ru4 Ru3 111.32(9) . . ?
C34 Ru4 Ru3 132.40(9) . . ?
Ru1 Ru4 Ru3 58.633(8) . . ?
Ru2 Ru4 Ru3 57.418(8) . . ?
C32 Ru4 H2 146.6(14) . . ?
C31 Ru4 H2 114.7(14) . . ?
C35 Ru4 H2 107.9(13) . . ?
C33 Ru4 H2 168.3(13) . . ?
C34 Ru4 H2 131.1(13) . . ?
Ru1 Ru4 H2 38.7(13) . . ?
Ru2 Ru4 H2 41.2(14) . . ?
Ru3 Ru4 H2 76.7(13) . . ?
C32 Ru4 H3 86.0(15) . . ?
C31 Ru4 H3 81.2(15) . . ?
C35 Ru4 H3 113.1(16) . . ?
C33 Ru4 H3 122.1(15) . . ?
C34 Ru4 H3 143.6(15) . . ?
Ru1 Ru4 H3 34.9(15) . . ?
Ru2 Ru4 H3 98.9(15) . . ?
Ru3 Ru4 H3 77.8(16) . . ?
H2 Ru4 H3 67(2) . . ?
C32 Ru4 H5 141.5(16) . . ?
C31 Ru4 H5 133.1(16) . . ?
C35 Ru4 H5 95.2(16) . . ?
C33 Ru4 H5 104.4(16) . . ?
C34 Ru4 H5 80.5(16) . . ?
Ru1 Ru4 H5 97.8(16) . . ?
Ru2 Ru4 H5 34.0(16) . . ?
Ru3 Ru4 H5 77.1(16) . . ?
H2 Ru4 H5 68(2) . . ?
H3 Ru4 H5 133(2) . . ?
C32 Ru4 H6 92.6(15) . . ?
C31 Ru4 H6 130.0(15) . . ?
C35 Ru4 H6 145.2(15) . . ?
C33 Ru4 H6 82.8(15) . . ?
C34 Ru4 H6 110.2(15) . . ?
Ru1 Ru4 H6 82.4(15) . . ?
Ru2 Ru4 H6 81.1(15) . . ?
Ru3 Ru4 H6 28.9(15) . . ?
H2 Ru4 H6 106(2) . . ?
H3 Ru4 H6 89(2) . . ?
H5 Ru4 H6 88(2) . . ?
C5 C1 C2 107.6(3) . . ?
C5 C1 C6 125.9(5) . . ?
C2 C1 C6 126.3(5) . . ?
C5 C1 Ru1 71.40(18) . . ?
C2 C1 Ru1 70.6(2) . . ?
C6 C1 Ru1 127.0(3) . . ?
C1 C2 C3 108.0(3) . . ?
C1 C2 C7 125.7(6) . . ?
C3 C2 C7 125.8(6) . . ?
C1 C2 Ru1 72.0(2) . . ?
C3 C2 Ru1 70.1(2) . . ?
C7 C2 Ru1 130.1(3) . . ?
C4 C3 C2 108.1(3) . . ?
C4 C3 C8 127.6(5) . . ?
C2 C3 C8 123.9(5) . . ?
C4 C3 Ru1 72.3(2) . . ?
C2 C3 Ru1 71.9(2) . . ?
C8 C3 Ru1 127.4(3) . . ?
C5 C4 C3 107.5(3) . . ?
C5 C4 C9 125.1(4) . . ?
C3 C4 C9 127.1(4) . . ?
C5 C4 Ru1 71.82(19) . . ?
C3 C4 Ru1 70.1(2) . . ?
C9 C4 Ru1 128.5(3) . . ?
C1 C5 C4 108.8(3) . . ?
C1 C5 C10 127.4(4) . . ?
C4 C5 C10 122.7(4) . . ?
C1 C5 Ru1 71.43(19) . . ?
C4 C5 Ru1 70.88(18) . . ?
C10 C5 Ru1 132.9(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C15 106.3(3) . . ?
C12 C11 C16 126.0(3) . . ?
C15 C11 C16 127.6(4) . . ?
C12 C11 Ru2 70.55(17) . . ?
C15 C11 Ru2 70.84(17) . . ?
C16 C11 Ru2 127.4(2) . . ?
C13 C12 C11 108.5(3) . . ?
C13 C12 C17 124.8(4) . . ?
C11 C12 C17 126.1(4) . . ?
C13 C12 Ru2 71.43(18) . . ?
C11 C12 Ru2 71.26(17) . . ?
C17 C12 Ru2 130.1(2) . . ?
C14 C13 C12 108.0(3) . . ?
C14 C13 C18 125.8(4) . . ?
C12 C13 C18 125.8(4) . . ?
C14 C13 Ru2 72.06(18) . . ?
C12 C13 Ru2 70.87(18) . . ?
C18 C13 Ru2 128.6(3) . . ?
C15 C14 C13 108.5(3) . . ?
C15 C14 C19 123.2(4) . . ?
C13 C14 C19 127.5(4) . . ?
C15 C14 Ru2 70.69(18) . . ?
C13 C14 Ru2 70.52(18) . . ?
C19 C14 Ru2 132.2(2) . . ?
C14 C15 C11 108.7(3) . . ?
C14 C15 C20 124.1(4) . . ?
C11 C15 C20 126.5(4) . . ?
C14 C15 Ru2 72.21(18) . . ?
C11 C15 Ru2 70.96(17) . . ?
C20 C15 Ru2 130.2(2) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22A C21A C25A 108.1(15) . . ?
C22A C21A C26A 128.9(17) . . ?
C25A C21A C26A 122.7(17) . . ?
C22A C21A Ru3 71.7(8) . . ?
C25A C21A Ru3 70.6(7) . . ?
C26A C21A Ru3 127.9(6) . . ?
C23A C22A C21A 110.0(14) . . ?
C23A C22A C27A 125.3(16) . . ?
C21A C22A C27A 124.4(18) . . ?
C23A C22A Ru3 70.4(8) . . ?
C21A C22A Ru3 71.6(7) . . ?
C27A C22A Ru3 129.7(8) . . ?
C22A C23A C24A 106.9(12) . . ?
C22A C23A C28A 125.1(17) . . ?
C24A C23A C28A 127(2) . . ?
C22A C23A Ru3 73.3(8) . . ?
C24A C23A Ru3 70.1(7) . . ?
C28A C23A Ru3 129.7(8) . . ?
C25A C24A C23A 107.6(9) . . ?
C25A C24A C29A 127.0(19) . . ?
C23A C24A C29A 125(2) . . ?
C25A C24A Ru3 72.3(6) . . ?
C23A C24A Ru3 71.2(6) . . ?
C29A C24A Ru3 125.8(7) . . ?
C21A C25A C24A 107.4(13) . . ?
C21A C25A C30A 124.5(17) . . ?
C24A C25A C30A 127.4(18) . . ?
C21A C25A Ru3 72.3(7) . . ?
C24A C25A Ru3 70.0(6) . . ?
C30A C25A Ru3 130.2(8) . . ?
C21A C26A H26A 109.5 . . ?
C21A C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C21A C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C22A C27A H27A 109.5 . . ?
C22A C27A H27B 109.5 . . ?
H27A C27A H27B 109.5 . . ?
C22A C27A H27C 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
C23A C28A H28A 109.5 . . ?
C23A C28A H28B 109.5 . . ?
H28A C28A H28B 109.5 . . ?
C23A C28A H28C 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C24A C29A H29A 109.5 . . ?
C24A C29A H29B 109.5 . . ?
H29A C29A H29B 109.5 . . ?
C24A C29A H29C 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C25A C30A H30A 109.5 . . ?
C25A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
C25A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C25B C21B C22B 109.3(10) . . ?
C25B C21B C26B 125.2(18) . . ?
C22B C21B C26B 125(2) . . ?
C25B C21B Ru3 73.6(6) . . ?
C22B C21B Ru3 70.4(6) . . ?
C26B C21B Ru3 125.7(7) . . ?
C23B C22B C21B 106.8(11) . . ?
C23B C22B C27B 128(2) . . ?
C21B C22B C27B 124(2) . . ?
C23B C22B Ru3 72.1(7) . . ?
C21B C22B Ru3 70.9(7) . . ?
C27B C22B Ru3 128.4(8) . . ?
C22B C23B C24B 110.1(14) . . ?
C22B C23B C28B 126.0(19) . . ?
C24B C23B C28B 123.8(17) . . ?
C22B C23B Ru3 70.2(8) . . ?
C24B C23B Ru3 73.4(7) . . ?
C28B C23B Ru3 126.0(9) . . ?
C23B C24B C25B 106.6(14) . . ?
C23B C24B C29B 128.7(16) . . ?
C25B C24B C29B 124.1(18) . . ?
C23B C24B Ru3 68.9(7) . . ?
C25B C24B Ru3 70.6(6) . . ?
C29B C24B Ru3 132.3(6) . . ?
C21B C25B C24B 107.2(11) . . ?
C21B C25B C30B 129.3(18) . . ?
C24B C25B C30B 123.0(19) . . ?
C21B C25B Ru3 68.7(6) . . ?
C24B C25B Ru3 71.6(6) . . ?
C30B C25B Ru3 131.0(7) . . ?
C21B C26B H26D 109.5 . . ?
C21B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C21B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C22B C27B H27D 109.5 . . ?
C22B C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C22B C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C23B C28B H28D 109.5 . . ?
C23B C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C23B C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C24B C29B H29D 109.5 . . ?
C24B C29B H29E 109.5 . . ?
H29D C29B H29E 109.5 . . ?
C24B C29B H29F 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C25B C30B H30D 109.5 . . ?
C25B C30B H30E 109.5 . . ?
H30D C30B H30E 109.5 . . ?
C25B C30B H30F 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
C32 C31 C35 108.5(3) . . ?
C32 C31 C36 125.3(3) . . ?
C35 C31 C36 125.3(3) . . ?
C32 C31 Ru4 70.73(17) . . ?
C35 C31 Ru4 71.95(18) . . ?
C36 C31 Ru4 131.6(2) . . ?
C31 C32 C33 107.4(3) . . ?
C31 C32 C37 126.2(3) . . ?
C33 C32 C37 126.1(3) . . ?
C31 C32 Ru4 71.12(17) . . ?
C33 C32 Ru4 72.82(17) . . ?
C37 C32 Ru4 126.3(2) . . ?
C34 C33 C32 108.3(3) . . ?
C34 C33 C38 123.8(3) . . ?
C32 C33 C38 127.4(3) . . ?
C34 C33 Ru4 72.10(17) . . ?
C32 C33 Ru4 69.30(17) . . ?
C38 C33 Ru4 130.8(2) . . ?
C33 C34 C35 108.2(3) . . ?
C33 C34 C39 123.9(3) . . ?
C35 C34 C39 127.4(3) . . ?
C33 C34 Ru4 70.76(17) . . ?
C35 C34 Ru4 70.02(17) . . ?
C39 C34 Ru4 130.8(2) . . ?
C34 C35 C31 107.6(3) . . ?
C34 C35 C40 126.6(3) . . ?
C31 C35 C40 125.5(3) . . ?
C34 C35 Ru4 72.61(18) . . ?
C31 C35 Ru4 70.07(18) . . ?
C40 C35 Ru4 128.0(2) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C59 B1 C41 109.6(2) . . ?
C59 B1 C47 109.7(2) . . ?
C41 B1 C47 110.1(2) . . ?
C59 B1 C53 109.3(2) . . ?
C41 B1 C53 109.8(2) . . ?
C47 B1 C53 108.3(2) . . ?
C46 C41 C42 114.6(3) . . ?
C46 C41 B1 124.4(3) . . ?
C42 C41 B1 121.0(3) . . ?
C43 C42 C41 122.8(3) . . ?
C43 C42 H42 118.6 . . ?
C41 C42 H42 118.6 . . ?
C44 C43 C42 120.3(3) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 118.9(3) . . ?
C45 C44 H44 120.5 . . ?
C43 C44 H44 120.5 . . ?
C44 C45 C46 119.9(3) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C41 C46 C45 123.4(3) . . ?
C41 C46 H46 118.3 . . ?
C45 C46 H46 118.3 . . ?
C52 C47 C48 115.3(3) . . ?
C52 C47 B1 124.3(3) . . ?
C48 C47 B1 120.4(3) . . ?
C49 C48 C47 123.1(3) . . ?
C49 C48 H48 118.5 . . ?
C47 C48 H48 118.5 . . ?
C48 C49 C50 120.0(3) . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C51 C50 C49 118.9(3) . . ?
C51 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
C50 C51 C52 120.3(3) . . ?
C50 C51 H51 119.9 . . ?
C52 C51 H51 119.9 . . ?
C47 C52 C51 122.5(3) . . ?
C47 C52 H52 118.8 . . ?
C51 C52 H52 118.8 . . ?
C54 C53 C58 114.9(3) . . ?
C54 C53 B1 124.5(3) . . ?
C58 C53 B1 120.5(3) . . ?
C55 C54 C53 122.6(3) . . ?
C55 C54 H54 118.7 . . ?
C53 C54 H54 118.7 . . ?
C56 C55 C54 120.7(3) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C56 C57 118.8(3) . . ?
C55 C56 H56 120.6 . . ?
C57 C56 H56 120.6 . . ?
C56 C57 C58 120.1(3) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C57 C58 C53 122.9(3) . . ?
C57 C58 H58 118.6 . . ?
C53 C58 H58 118.6 . . ?
C60 C59 C64 114.7(3) . . ?
C60 C59 B1 124.5(3) . . ?
C64 C59 B1 120.8(3) . . ?
C61 C60 C59 122.3(3) . . ?
C61 C60 H60 118.8 . . ?
C59 C60 H60 118.8 . . ?
C62 C61 C60 121.2(3) . . ?
C62 C61 H61 119.4 . . ?
C60 C61 H61 119.4 . . ?
C61 C62 C63 118.4(3) . . ?
C61 C62 H62 120.8 . . ?
C63 C62 H62 120.8 . . ?
C64 C63 C62 119.9(3) . . ?
C64 C63 H63 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C64 C59 123.4(3) . . ?
C63 C64 H64 118.3 . . ?
C59 C64 H64 118.3 . . ?

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
C5 C1 C2 C3 1.0(4) . . . . ?
C6 C1 C2 C3 176.6(3) . . . . ?
Ru1 C1 C2 C3 -61.2(2) . . . . ?
C5 C1 C2 C7 -170.8(4) . . . . ?
C6 C1 C2 C7 4.8(6) . . . . ?
Ru1 C1 C2 C7 127.0(4) . . . . ?
C5 C1 C2 Ru1 62.2(2) . . . . ?
C6 C1 C2 Ru1 -122.2(4) . . . . ?
C1 C2 C3 C4 -1.2(4) . . . . ?
C7 C2 C3 C4 170.6(4) . . . . ?
Ru1 C2 C3 C4 -63.7(2) . . . . ?
C1 C2 C3 C8 -174.1(3) . . . . ?
C7 C2 C3 C8 -2.3(6) . . . . ?
Ru1 C2 C3 C8 123.5(4) . . . . ?
C1 C2 C3 Ru1 62.4(2) . . . . ?
C7 C2 C3 Ru1 -125.8(4) . . . . ?
C2 C3 C4 C5 1.0(4) . . . . ?
C8 C3 C4 C5 173.5(4) . . . . ?
Ru1 C3 C4 C5 -62.5(2) . . . . ?
C2 C3 C4 C9 -172.7(4) . . . . ?
C8 C3 C4 C9 -0.2(6) . . . . ?
Ru1 C3 C4 C9 123.8(4) . . . . ?
C2 C3 C4 Ru1 63.4(2) . . . . ?
C8 C3 C4 Ru1 -124.0(4) . . . . ?
C2 C1 C5 C4 -0.4(4) . . . . ?
C6 C1 C5 C4 -176.0(3) . . . . ?
Ru1 C1 C5 C4 61.4(2) . . . . ?
C2 C1 C5 C10 167.9(4) . . . . ?
C6 C1 C5 C10 -7.7(6) . . . . ?
Ru1 C1 C5 C10 -130.4(4) . . . . ?
C2 C1 C5 Ru1 -61.7(2) . . . . ?
C6 C1 C5 Ru1 122.7(4) . . . . ?
C3 C4 C5 C1 -0.4(4) . . . . ?
C9 C4 C5 C1 173.5(4) . . . . ?
Ru1 C4 C5 C1 -61.7(2) . . . . ?
C3 C4 C5 C10 -169.3(3) . . . . ?
C9 C4 C5 C10 4.6(6) . . . . ?
Ru1 C4 C5 C10 129.3(3) . . . . ?
C3 C4 C5 Ru1 61.3(2) . . . . ?
C9 C4 C5 Ru1 -124.8(4) . . . . ?
C15 C11 C12 C13 0.2(3) . . . . ?
C16 C11 C12 C13 175.3(3) . . . . ?
Ru2 C11 C12 C13 -62.1(2) . . . . ?
C15 C11 C12 C17 -171.2(3) . . . . ?
C16 C11 C12 C17 3.9(5) . . . . ?
Ru2 C11 C12 C17 126.5(3) . . . . ?
C15 C11 C12 Ru2 62.25(19) . . . . ?
C16 C11 C12 Ru2 -122.6(3) . . . . ?
C11 C12 C13 C14 -0.9(3) . . . . ?
C17 C12 C13 C14 170.6(3) . . . . ?
Ru2 C12 C13 C14 -62.9(2) . . . . ?
C11 C12 C13 C18 -173.7(3) . . . . ?
C17 C12 C13 C18 -2.2(5) . . . . ?
Ru2 C12 C13 C18 124.3(4) . . . . ?
C11 C12 C13 Ru2 62.0(2) . . . . ?
C17 C12 C13 Ru2 -126.5(3) . . . . ?
C12 C13 C14 C15 1.4(4) . . . . ?
C18 C13 C14 C15 174.1(3) . . . . ?
Ru2 C13 C14 C15 -60.8(2) . . . . ?
C12 C13 C14 C19 -169.1(3) . . . . ?
C18 C13 C14 C19 3.7(6) . . . . ?
Ru2 C13 C14 C19 128.8(4) . . . . ?
C12 C13 C14 Ru2 62.1(2) . . . . ?
C18 C13 C14 Ru2 -125.1(4) . . . . ?
C13 C14 C15 C11 -1.3(3) . . . . ?
C19 C14 C15 C11 169.7(3) . . . . ?
Ru2 C14 C15 C11 -61.9(2) . . . . ?
C13 C14 C15 C20 -172.4(3) . . . . ?
C19 C14 C15 C20 -1.4(5) . . . . ?
Ru2 C14 C15 C20 127.0(3) . . . . ?
C13 C14 C15 Ru2 60.7(2) . . . . ?
C19 C14 C15 Ru2 -128.4(3) . . . . ?
C12 C11 C15 C14 0.7(3) . . . . ?
C16 C11 C15 C14 -174.3(3) . . . . ?
Ru2 C11 C15 C14 62.7(2) . . . . ?
C12 C11 C15 C20 171.5(3) . . . . ?
C16 C11 C15 C20 -3.5(5) . . . . ?
Ru2 C11 C15 C20 -126.4(3) . . . . ?
C12 C11 C15 Ru2 -62.1(2) . . . . ?
C16 C11 C15 Ru2 122.9(3) . . . . ?
C25A C21A C22A C23A 1.5(14) . . . . ?
C26A C21A C22A C23A 175.5(10) . . . . ?
Ru3 C21A C22A C23A -60.1(9) . . . . ?
C25A C21A C22A C27A -172.3(10) . . . . ?
C26A C21A C22A C27A 1.7(18) . . . . ?
Ru3 C21A C22A C27A 126.1(11) . . . . ?
C25A C21A C22A Ru3 61.6(8) . . . . ?
C26A C21A C22A Ru3 -124.4(10) . . . . ?
C21A C22A C23A C24A -1.5(13) . . . . ?
C27A C22A C23A C24A 172.2(10) . . . . ?
Ru3 C22A C23A C24A -62.5(8) . . . . ?
C21A C22A C23A C28A -171.9(11) . . . . ?
C27A C22A C23A C28A 1.9(19) . . . . ?
Ru3 C22A C23A C28A 127.2(11) . . . . ?
C21A C22A C23A Ru3 60.9(9) . . . . ?
C27A C22A C23A Ru3 -125.3(12) . . . . ?
C22A C23A C24A C25A 1.0(12) . . . . ?
C28A C23A C24A C25A 171.1(11) . . . . ?
Ru3 C23A C24A C25A -63.6(7) . . . . ?
C22A C23A C24A C29A -174.3(10) . . . . ?
C28A C23A C24A C29A -4.2(17) . . . . ?
Ru3 C23A C24A C29A 121.1(9) . . . . ?
C22A C23A C24A Ru3 64.6(8) . . . . ?
C28A C23A C24A Ru3 -125.3(12) . . . . ?
C22A C21A C25A C24A -0.8(13) . . . . ?
C26A C21A C25A C24A -175.2(7) . . . . ?
Ru3 C21A C25A C24A 61.5(7) . . . . ?
C22A C21A C25A C30A 170.6(10) . . . . ?
C26A C21A C25A C30A -3.9(17) . . . . ?
Ru3 C21A C25A C30A -127.1(11) . . . . ?
C22A C21A C25A Ru3 -62.3(8) . . . . ?
C26A C21A C25A Ru3 123.2(9) . . . . ?
C23A C24A C25A C21A -0.1(12) . . . . ?
C29A C24A C25A C21A 175.0(9) . . . . ?
Ru3 C24A C25A C21A -63.0(8) . . . . ?
C23A C24A C25A C30A -171.2(10) . . . . ?
C29A C24A C25A C30A 4.0(17) . . . . ?
Ru3 C24A C25A C30A 125.9(11) . . . . ?
C23A C24A C25A Ru3 62.9(7) . . . . ?
C29A C24A C25A Ru3 -121.9(10) . . . . ?
C25B C21B C22B C23B 0.1(12) . . . . ?
C26B C21B C22B C23B 175.9(10) . . . . ?
Ru3 C21B C22B C23B -63.6(8) . . . . ?
C25B C21B C22B C27B -172.1(10) . . . . ?
C26B C21B C22B C27B 3.6(17) . . . . ?
Ru3 C21B C22B C27B 124.1(11) . . . . ?
C25B C21B C22B Ru3 63.8(7) . . . . ?
C26B C21B C22B Ru3 -120.5(9) . . . . ?
C21B C22B C23B C24B -0.1(14) . . . . ?
C27B C22B C23B C24B 171.8(10) . . . . ?
Ru3 C22B C23B C24B -62.9(9) . . . . ?
C21B C22B C23B C28B -176.4(11) . . . . ?
C27B C22B C23B C28B -5(2) . . . . ?
Ru3 C22B C23B C28B 120.7(12) . . . . ?
C21B C22B C23B Ru3 62.9(7) . . . . ?
C27B C22B C23B Ru3 -125.3(12) . . . . ?
C22B C23B C24B C25B 0.0(13) . . . . ?
C28B C23B C24B C25B 176.4(10) . . . . ?
Ru3 C23B C24B C25B -61.0(8) . . . . ?
C22B C23B C24B C29B -171.1(9) . . . . ?
C28B C23B C24B C29B 5.4(19) . . . . ?
Ru3 C23B C24B C29B 128.0(10) . . . . ?
C22B C23B C24B Ru3 60.9(9) . . . . ?
C28B C23B C24B Ru3 -122.6(12) . . . . ?
C22B C21B C25B C24B -0.2(11) . . . . ?
C26B C21B C25B C24B -175.9(9) . . . . ?
Ru3 C21B C25B C24B 61.6(7) . . . . ?
C22B C21B C25B C30B 172.0(10) . . . . ?
C26B C21B C25B C30B -3.8(16) . . . . ?
Ru3 C21B C25B C30B -126.3(10) . . . . ?
C22B C21B C25B Ru3 -61.8(7) . . . . ?
C26B C21B C25B Ru3 122.5(9) . . . . ?
C23B C24B C25B C21B 0.1(12) . . . . ?
C29B C24B C25B C21B 171.7(8) . . . . ?
Ru3 C24B C25B C21B -59.8(7) . . . . ?
C23B C24B C25B C30B -172.6(10) . . . . ?
C29B C24B C25B C30B -1.0(16) . . . . ?
Ru3 C24B C25B C30B 127.5(10) . . . . ?
C23B C24B C25B Ru3 59.9(8) . . . . ?
C29B C24B C25B Ru3 -128.6(9) . . . . ?
C35 C31 C32 C33 -1.8(3) . . . . ?
C36 C31 C32 C33 167.8(3) . . . . ?
Ru4 C31 C32 C33 -64.3(2) . . . . ?
C35 C31 C32 C37 -175.9(3) . . . . ?
C36 C31 C32 C37 -6.2(5) . . . . ?
Ru4 C31 C32 C37 121.7(3) . . . . ?
C35 C31 C32 Ru4 62.4(2) . . . . ?
C36 C31 C32 Ru4 -127.9(3) . . . . ?
C31 C32 C33 C34 1.2(3) . . . . ?
C37 C32 C33 C34 175.3(3) . . . . ?
Ru4 C32 C33 C34 -61.9(2) . . . . ?
C31 C32 C33 C38 -170.7(3) . . . . ?
C37 C32 C33 C38 3.3(5) . . . . ?
Ru4 C32 C33 C38 126.2(3) . . . . ?
C31 C32 C33 Ru4 63.1(2) . . . . ?
C37 C32 C33 Ru4 -122.8(3) . . . . ?
C32 C33 C34 C35 -0.2(3) . . . . ?
C38 C33 C34 C35 172.1(3) . . . . ?
Ru4 C33 C34 C35 -60.3(2) . . . . ?
C32 C33 C34 C39 -173.0(3) . . . . ?
C38 C33 C34 C39 -0.7(5) . . . . ?
Ru4 C33 C34 C39 126.8(3) . . . . ?
C32 C33 C34 Ru4 60.1(2) . . . . ?
C38 C33 C34 Ru4 -127.6(3) . . . . ?
C33 C34 C35 C31 -1.0(3) . . . . ?
C39 C34 C35 C31 171.6(3) . . . . ?
Ru4 C34 C35 C31 -61.7(2) . . . . ?
C33 C34 C35 C40 -174.5(3) . . . . ?
C39 C34 C35 C40 -1.9(5) . . . . ?
Ru4 C34 C35 C40 124.8(3) . . . . ?
C33 C34 C35 Ru4 60.8(2) . . . . ?
C39 C34 C35 Ru4 -126.7(3) . . . . ?
C32 C31 C35 C34 1.7(3) . . . . ?
C36 C31 C35 C34 -167.9(3) . . . . ?
Ru4 C31 C35 C34 63.4(2) . . . . ?
C32 C31 C35 C40 175.3(3) . . . . ?
C36 C31 C35 C40 5.6(5) . . . . ?
Ru4 C31 C35 C40 -123.0(3) . . . . ?
C32 C31 C35 Ru4 -61.6(2) . . . . ?
C36 C31 C35 Ru4 128.7(3) . . . . ?
C59 B1 C41 C46 136.6(3) . . . . ?
C47 B1 C41 C46 15.8(4) . . . . ?
C53 B1 C41 C46 -103.4(3) . . . . ?
C59 B1 C41 C42 -45.3(4) . . . . ?
C47 B1 C41 C42 -166.1(3) . . . . ?
C53 B1 C41 C42 74.7(4) . . . . ?
C46 C41 C42 C43 2.0(5) . . . . ?
B1 C41 C42 C43 -176.3(3) . . . . ?
C41 C42 C43 C44 -0.8(6) . . . . ?
C42 C43 C44 C45 -0.7(6) . . . . ?
C43 C44 C45 C46 0.9(6) . . . . ?
C42 C41 C46 C45 -1.8(5) . . . . ?
B1 C41 C46 C45 176.4(3) . . . . ?
C44 C45 C46 C41 0.4(5) . . . . ?
C59 B1 C47 C52 -15.4(4) . . . . ?
C41 B1 C47 C52 105.3(3) . . . . ?
C53 B1 C47 C52 -134.6(3) . . . . ?
C59 B1 C47 C48 166.5(3) . . . . ?
C41 B1 C47 C48 -72.8(3) . . . . ?
C53 B1 C47 C48 47.3(4) . . . . ?
C52 C47 C48 C49 -2.1(5) . . . . ?
B1 C47 C48 C49 176.2(3) . . . . ?
C47 C48 C49 C50 1.8(5) . . . . ?
C48 C49 C50 C51 -0.1(5) . . . . ?
C49 C50 C51 C52 -1.1(5) . . . . ?
C48 C47 C52 C51 0.8(4) . . . . ?
B1 C47 C52 C51 -177.4(3) . . . . ?
C50 C51 C52 C47 0.8(5) . . . . ?
C59 B1 C53 C54 95.3(3) . . . . ?
C41 B1 C53 C54 -24.9(4) . . . . ?
C47 B1 C53 C54 -145.2(3) . . . . ?
C59 B1 C53 C58 -81.6(4) . . . . ?
C41 B1 C53 C58 158.2(3) . . . . ?
C47 B1 C53 C58 37.9(4) . . . . ?
C58 C53 C54 C55 0.0(5) . . . . ?
B1 C53 C54 C55 -177.1(3) . . . . ?
C53 C54 C55 C56 0.5(5) . . . . ?
C54 C55 C56 C57 -0.5(6) . . . . ?
C55 C56 C57 C58 0.0(6) . . . . ?
C56 C57 C58 C53 0.5(6) . . . . ?
C54 C53 C58 C57 -0.5(5) . . . . ?
B1 C53 C58 C57 176.7(3) . . . . ?
C41 B1 C59 C60 135.5(3) . . . . ?
C47 B1 C59 C60 -103.5(3) . . . . ?
C53 B1 C59 C60 15.1(4) . . . . ?
C41 B1 C59 C64 -45.9(4) . . . . ?
C47 B1 C59 C64 75.2(3) . . . . ?
C53 B1 C59 C64 -166.2(3) . . . . ?
C64 C59 C60 C61 -0.9(4) . . . . ?
B1 C59 C60 C61 177.9(3) . . . . ?
C59 C60 C61 C62 1.0(5) . . . . ?
C60 C61 C62 C63 -0.9(5) . . . . ?
C61 C62 C63 C64 0.6(5) . . . . ?
C62 C63 C64 C59 -0.5(5) . . . . ?
C60 C59 C64 C63 0.6(4) . . . . ?
B1 C59 C64 C63 -178.2(3) . . . . ?

_refine_diff_density_max         1.364
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.090

####################################################################### 
# 
# 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_8
_database_code_depnum_ccdc_archive 'CCDC 1519873'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H66 Ru4'
_chemical_formula_weight         951.20

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'
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                   10.8082(4)
_cell_length_b                   10.8464(3)
_cell_length_c                   18.0784(7)
_cell_angle_alpha                83.5770(10)
_cell_angle_beta                 84.2980(10)
_cell_angle_gamma                66.7760(10)
_cell_volume                     1931.83(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    19215
_cell_measurement_theta_min      3.003
_cell_measurement_theta_max      27.483

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_F_000             964
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.137
_exptl_crystal_size_min          0.118
_exptl_absorpt_coefficient_mu    1.559
_shelx_estimated_absorpt_T_min   0.805
_shelx_estimated_absorpt_T_max   0.837
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.7423
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku Rotating Anode Ultrax18'
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10
_diffrn_reflns_number            19142
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.003
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             8661
_reflns_number_gt                6977
_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       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0496P)²+3.1432P] 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         8661
_refine_ls_number_parameters     381
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.1024
_refine_ls_wR_factor_gt          0.0942
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_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_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 0.81139(3) 0.17392(3) 0.67764(2) 0.01701(9) Uani 1 1 d . . . . .
Ru2 Ru 0.74824(3) 0.42421(3) 0.72604(2) 0.01669(9) Uani 1 1 d . . . . .
Ru3 Ru 0.54388(3) 0.30034(3) 0.75605(2) 0.01868(9) Uani 1 1 d . . . . .
Ru4 Ru 0.76378(3) 0.20022(3) 0.84107(2) 0.01909(9) Uani 1 1 d . . . . .
C1 C 0.9380(5) 0.1352(4) 0.5748(3) 0.0345(12) Uani 1 1 d . . . . .
C2 C 0.8176(5) 0.1166(4) 0.5652(2) 0.0281(10) Uani 1 1 d . . . . .
C3 C 0.8147(5) 0.0084(4) 0.6166(3) 0.0276(10) Uani 1 1 d . . . . .
C4 C 0.9303(5) -0.0379(4) 0.6579(2) 0.0309(10) Uani 1 1 d . . . . .
C5 C 1.0059(5) 0.0419(5) 0.6338(3) 0.0385(12) Uani 1 1 d . . . . .
C6 C 0.9899(10) 0.2255(7) 0.5239(4) 0.097(4) Uani 1 1 d . . . . .
H6A H 1.060829 0.238855 0.547656 0.145 Uiso 1 1 calc R U . . .
H6B H 0.915877 0.312659 0.513828 0.145 Uiso 1 1 calc R U . . .
H6C H 1.026898 0.184074 0.476857 0.145 Uiso 1 1 calc R U . . .
C7 C 0.7201(7) 0.1901(6) 0.5068(3) 0.070(2) Uani 1 1 d . . . . .
H7A H 0.769759 0.193650 0.458760 0.105 Uiso 1 1 calc R U . . .
H7B H 0.666270 0.281876 0.520542 0.105 Uiso 1 1 calc R U . . .
H7C H 0.660318 0.143090 0.502824 0.105 Uiso 1 1 calc R U . . .
C8 C 0.7181(7) -0.0611(7) 0.6217(4) 0.069(2) Uani 1 1 d . . . . .
H8A H 0.656169 -0.023501 0.581346 0.104 Uiso 1 1 calc R U . . .
H8B H 0.666439 -0.047617 0.669877 0.104 Uiso 1 1 calc R U . . .
H8C H 0.768597 -0.157617 0.617053 0.104 Uiso 1 1 calc R U . . .
C9 C 0.9705(10) -0.1626(5) 0.7093(3) 0.085(3) Uani 1 1 d . . . . .
H9A H 1.039510 -0.164238 0.741085 0.127 Uiso 1 1 calc R U . . .
H9B H 1.006869 -0.241491 0.680057 0.127 Uiso 1 1 calc R U . . .
H9C H 0.891503 -0.164124 0.740472 0.127 Uiso 1 1 calc R U . . .
C10 C 1.1399(6) 0.0244(9) 0.6594(5) 0.097(4) Uani 1 1 d . . . . .
H10A H 1.143365 0.112917 0.661308 0.146 Uiso 1 1 calc R U . . .
H10B H 1.211934 -0.027793 0.624408 0.146 Uiso 1 1 calc R U . . .
H10C H 1.152116 -0.023358 0.709123 0.146 Uiso 1 1 calc R U . . .
C11 C 0.6489(4) 0.6423(4) 0.6978(3) 0.0266(9) Uani 1 1 d . . . . .
C12 C 0.7566(5) 0.5841(4) 0.6445(2) 0.0292(10) Uani 1 1 d . . . . .
C13 C 0.8776(5) 0.5289(4) 0.6828(3) 0.0305(10) Uani 1 1 d . . . . .
C14 C 0.8441(5) 0.5527(4) 0.7592(3) 0.0287(10) Uani 1 1 d . . . . .
C15 C 0.7023(5) 0.6231(4) 0.7683(3) 0.0274(9) Uani 1 1 d . . . . .
C16 C 0.5097(6) 0.7313(5) 0.6780(5) 0.064(2) Uani 1 1 d . . . . .
H16A H 0.486170 0.698335 0.635311 0.096 Uiso 1 1 calc R U . . .
H16B H 0.504864 0.823182 0.664943 0.096 Uiso 1 1 calc R U . . .
H16C H 0.446288 0.731028 0.720643 0.096 Uiso 1 1 calc R U . . .
C17 C 0.7454(9) 0.5930(6) 0.5628(3) 0.071(2) Uani 1 1 d . . . . .
H17A H 0.811927 0.510946 0.542436 0.107 Uiso 1 1 calc R U . . .
H17B H 0.762451 0.671181 0.539409 0.107 Uiso 1 1 calc R U . . .
H17C H 0.654536 0.602561 0.552703 0.107 Uiso 1 1 calc R U . . .
C18 C 1.0192(6) 0.4709(6) 0.6486(5) 0.078(3) Uani 1 1 d . . . . .
H18A H 1.018432 0.437250 0.600604 0.116 Uiso 1 1 calc R U . . .
H18B H 1.075218 0.396684 0.682071 0.116 Uiso 1 1 calc R U . . .
H18C H 1.056134 0.540903 0.640802 0.116 Uiso 1 1 calc R U . . .
C19 C 0.9436(8) 0.5263(6) 0.8164(4) 0.075(3) Uani 1 1 d . . . . .
H19A H 0.904012 0.509360 0.865714 0.113 Uiso 1 1 calc R U . . .
H19B H 0.967157 0.604759 0.816394 0.113 Uiso 1 1 calc R U . . .
H19C H 1.024976 0.447386 0.804779 0.113 Uiso 1 1 calc R U . . .
C20 C 0.6223(8) 0.6795(6) 0.8382(3) 0.0585(18) Uani 1 1 d . . . . .
H20A H 0.672046 0.629714 0.881737 0.088 Uiso 1 1 calc R U . . .
H20B H 0.535048 0.670754 0.840850 0.088 Uiso 1 1 calc R U . . .
H20C H 0.607567 0.774679 0.837567 0.088 Uiso 1 1 calc R U . . .
C21 C 0.3630(4) 0.4186(4) 0.6934(2) 0.0224(8) Uani 1 1 d . . . . .
C22 C 0.3395(4) 0.4513(4) 0.7692(2) 0.0214(8) Uani 1 1 d . . . . .
C23 C 0.3506(4) 0.3317(4) 0.8160(2) 0.0218(8) Uani 1 1 d . . . . .
C24 C 0.3847(4) 0.2243(4) 0.7688(2) 0.0231(9) Uani 1 1 d . . . . .
C25 C 0.3907(4) 0.2795(4) 0.6932(2) 0.0246(9) Uani 1 1 d . . . . .
C26 C 0.3498(5) 0.5135(5) 0.6254(3) 0.0368(11) Uani 1 1 d . . . . .
H26A H 0.326188 0.604642 0.640228 0.055 Uiso 1 1 calc R U . . .
H26B H 0.278902 0.512724 0.595851 0.055 Uiso 1 1 calc R U . . .
H26C H 0.435643 0.485516 0.595499 0.055 Uiso 1 1 calc R U . . .
C27 C 0.2928(5) 0.5875(5) 0.7976(3) 0.0355(11) Uani 1 1 d . . . . .
H27A H 0.346875 0.583681 0.838837 0.053 Uiso 1 1 calc R U . . .
H27B H 0.197652 0.616585 0.815149 0.053 Uiso 1 1 calc R U . . .
H27C H 0.303319 0.651731 0.757274 0.053 Uiso 1 1 calc R U . . .
C28 C 0.3143(5) 0.3293(6) 0.8976(3) 0.0366(11) Uani 1 1 d . . . . .
H28A H 0.349858 0.385247 0.920535 0.055 Uiso 1 1 calc R U . . .
H28B H 0.353163 0.236556 0.919896 0.055 Uiso 1 1 calc R U . . .
H28C H 0.215891 0.364468 0.906098 0.055 Uiso 1 1 calc R U . . .
C29 C 0.4006(5) 0.0826(5) 0.7920(3) 0.0387(12) Uani 1 1 d . . . . .
H29A H 0.472903 0.021327 0.760692 0.058 Uiso 1 1 calc R U . . .
H29B H 0.315886 0.072506 0.786311 0.058 Uiso 1 1 calc R U . . .
H29C H 0.423280 0.060994 0.844323 0.058 Uiso 1 1 calc R U . . .
C30 C 0.3992(5) 0.2099(6) 0.6247(3) 0.0398(12) Uani 1 1 d . . . . .
H30A H 0.429710 0.112754 0.637561 0.060 Uiso 1 1 calc R U . . .
H30B H 0.463401 0.228117 0.587377 0.060 Uiso 1 1 calc R U . . .
H30C H 0.310071 0.243436 0.604300 0.060 Uiso 1 1 calc R U . . .
C31A C 0.7973(3) 0.2281(3) 0.95494(19) 0.0262(15) Uiso 0.643(6) 1 d G . P A 1
C32A C 0.9267(3) 0.1630(3) 0.91841(19) 0.0184(13) Uiso 0.643(6) 1 d G . P A 1
C33A C 0.9359(3) 0.0355(3) 0.89918(19) 0.0204(14) Uiso 0.643(6) 1 d G . P A 1
C34A C 0.8121(3) 0.0219(3) 0.9238(2) 0.0230(14) Uiso 0.643(6) 1 d G . P A 1
C35A C 0.7264(3) 0.1409(3) 0.9583(2) 0.0273(16) Uiso 0.643(6) 1 d G . P A 1
C36A C 0.7443(5) 0.3658(5) 0.9849(3) 0.055(2) Uiso 0.643(6) 1 d G . P A 1
C37A C 1.0355(5) 0.2193(5) 0.9028(3) 0.056(3) Uiso 0.643(6) 1 d G . P A 1
C38A C 1.0561(5) -0.0674(5) 0.8595(3) 0.072(3) Uiso 0.643(6) 1 d G . P A 1
C39A C 0.7775(6) -0.0981(5) 0.9150(3) 0.058(3) Uiso 0.643(6) 1 d G . P A 1
C40A C 0.5849(5) 0.1697(6) 0.9925(3) 0.086(4) Uiso 0.643(6) 1 d G . P A 1
C31B C 0.8556(6) 0.2243(6) 0.9402(4) 0.020(2) Uiso 0.357(6) 1 d G . P A 2
C32B C 0.9455(7) 0.1069(7) 0.9063(4) 0.027(3) Uiso 0.357(6) 1 d G . P A 2
C33B C 0.8776(7) 0.0181(6) 0.9062(4) 0.022(3) Uiso 0.357(6) 1 d G . P A 2
C34B C 0.7459(6) 0.0806(6) 0.9402(3) 0.014(2) Uiso 0.357(6) 1 d G . P A 2
C35B C 0.7323(6) 0.2080(6) 0.9612(3) 0.010(2) Uiso 0.357(6) 1 d G . P A 2
C36B C 0.8860(11) 0.3451(10) 0.9520(7) 0.089(7) Uiso 0.357(6) 1 d G . P A 2
C37B C 1.0880(11) 0.0810(11) 0.8756(7) 0.115(10) Uiso 0.357(6) 1 d G . P A 2
C38B C 0.9354(11) -0.1187(11) 0.8755(7) 0.120(10) Uiso 0.357(6) 1 d G . P A 2
C39B C 0.6390(10) 0.0219(10) 0.9518(6) 0.082(7) Uiso 0.357(6) 1 d G . P A 2
C40B C 0.6085(10) 0.3086(10) 0.9991(6) 0.071(6) Uiso 0.357(6) 1 d G . P A 2
H1 H 0.838(6) 0.310(6) 0.664(3) 0.057(17) Uiso 1 1 d . . . . .
H2 H 0.571(6) 0.235(6) 0.842(3) 0.057(18) Uiso 1 1 d . . . . .
H3 H 0.653(5) 0.342(5) 0.677(3) 0.025(12) Uiso 1 1 d . . . . .
H4 H 0.869(6) 0.244(6) 0.751(3) 0.050(16) Uiso 1 1 d . . . . .
H5 H 0.704(5) 0.142(5) 0.757(3) 0.033(13) Uiso 1 1 d . . . . .
H6 H 0.638(6) 0.382(5) 0.803(3) 0.043(15) 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 C5 2.156(4) . ?
Ru1 C1 2.173(4) . ?
Ru1 C2 2.178(4) . ?
Ru1 C4 2.195(4) . ?
Ru1 C3 2.197(4) . ?
Ru1 Ru2 2.7482(4) . ?
Ru1 Ru3 2.9568(4) . ?
Ru1 Ru4 2.9743(4) . ?
Ru1 H1 1.60(6) . ?
Ru1 H3 1.94(5) . ?
Ru1 H4 1.87(6) . ?
Ru1 H5 1.85(5) . ?
Ru2 C13 2.166(4) . ?
Ru2 C12 2.172(4) . ?
Ru2 C14 2.196(4) . ?
Ru2 C11 2.201(4) . ?
Ru2 C15 2.221(4) . ?
Ru2 Ru4 2.9787(4) . ?
Ru2 Ru3 2.9861(4) . ?
Ru2 H1 1.70(6) . ?
Ru2 H3 1.93(4) . ?
Ru2 H4 1.91(6) . ?
Ru2 H6 1.87(5) . ?
Ru3 C24 2.166(4) . ?
Ru3 C23 2.174(4) . ?
Ru3 C22 2.179(4) . ?
Ru3 C25 2.194(4) . ?
Ru3 C21 2.211(4) . ?
Ru3 Ru4 2.7400(5) . ?
Ru3 H2 1.64(6) . ?
Ru3 H3 1.89(5) . ?
Ru3 H5 1.89(5) . ?
Ru3 H6 1.89(5) . ?
Ru4 C34B 2.130(6) . ?
Ru4 C33B 2.157(7) . ?
Ru4 C35B 2.170(6) . ?
Ru4 C35A 2.191(4) . ?
Ru4 C31A 2.199(3) . ?
Ru4 C32B 2.213(7) . ?
Ru4 C31B 2.220(7) . ?
Ru4 C34A 2.228(4) . ?
Ru4 C32A 2.241(3) . ?
Ru4 C33A 2.259(4) . ?
Ru4 H2 1.97(6) . ?
Ru4 H4 2.01(6) . ?
Ru4 H5 1.96(5) . ?
Ru4 H6 2.00(6) . ?
C1 C2 1.422(7) . ?
C1 C5 1.424(8) . ?
C1 C6 1.500(7) . ?
C2 C3 1.421(6) . ?
C2 C7 1.494(7) . ?
C3 C4 1.406(7) . ?
C3 C8 1.501(7) . ?
C4 C5 1.418(7) . ?
C4 C9 1.489(7) . ?
C5 C10 1.498(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C15 1.411(6) . ?
C11 C12 1.420(7) . ?
C11 C16 1.486(7) . ?
C12 C13 1.421(7) . ?
C12 C17 1.482(7) . ?
C13 C14 1.418(7) . ?
C13 C18 1.503(7) . ?
C14 C15 1.420(7) . ?
C14 C19 1.490(7) . ?
C15 C20 1.502(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C25 1.418(6) . ?
C21 C22 1.427(6) . ?
C21 C26 1.492(6) . ?
C22 C23 1.436(6) . ?
C22 C27 1.494(6) . ?
C23 C24 1.429(6) . ?
C23 C28 1.489(6) . ?
C24 C25 1.435(6) . ?
C24 C29 1.494(6) . ?
C25 C30 1.497(6) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31A C32A 1.426(2) . ?
C31A C35A 1.426(2) . ?
C31A C36A 1.516(2) . ?
C32A C33A 1.426(2) . ?
C32A C37A 1.516(2) . ?
C33A C34A 1.426(2) . ?
C33A C38A 1.516(2) . ?
C34A C35A 1.426(2) . ?
C34A C39A 1.516(2) . ?
C35A C40A 1.516(2) . ?
C31B C32B 1.422(4) . ?
C31B C35B 1.422(4) . ?
C31B C36B 1.511(5) . ?
C32B C33B 1.422(4) . ?
C32B C37B 1.511(5) . ?
C33B C34B 1.422(4) . ?
C33B C38B 1.511(5) . ?
C34B C35B 1.422(4) . ?
C34B C39B 1.511(5) . ?
C35B C40B 1.511(5) . ?

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
C5 Ru1 C1 38.4(2) . . ?
C5 Ru1 C2 64.24(18) . . ?
C1 Ru1 C2 38.16(18) . . ?
C5 Ru1 C4 38.02(19) . . ?
C1 Ru1 C4 63.31(17) . . ?
C2 Ru1 C4 63.29(16) . . ?
C5 Ru1 C3 63.48(17) . . ?
C1 Ru1 C3 63.25(16) . . ?
C2 Ru1 C3 37.90(16) . . ?
C4 Ru1 C3 37.35(18) . . ?
C5 Ru1 Ru2 126.51(13) . . ?
C1 Ru1 Ru2 114.58(11) . . ?
C2 Ru1 Ru2 129.51(11) . . ?
C4 Ru1 Ru2 158.90(14) . . ?
C3 Ru1 Ru2 163.03(13) . . ?
C5 Ru1 Ru3 167.42(16) . . ?
C1 Ru1 Ru3 150.18(16) . . ?
C2 Ru1 Ru3 117.76(13) . . ?
C4 Ru1 Ru3 130.22(13) . . ?
C3 Ru1 Ru3 109.74(12) . . ?
Ru2 Ru1 Ru3 62.999(11) . . ?
C5 Ru1 Ru4 119.39(15) . . ?
C1 Ru1 Ru4 153.42(15) . . ?
C2 Ru1 Ru4 164.06(13) . . ?
C4 Ru1 Ru4 109.08(11) . . ?
C3 Ru1 Ru4 127.57(12) . . ?
Ru2 Ru1 Ru4 62.587(11) . . ?
Ru3 Ru1 Ru4 55.028(10) . . ?
C5 Ru1 H1 97(2) . . ?
C1 Ru1 H1 80(2) . . ?
C2 Ru1 H1 103(2) . . ?
C4 Ru1 H1 135(2) . . ?
C3 Ru1 H1 140(2) . . ?
Ru2 Ru1 H1 35(2) . . ?
Ru3 Ru1 H1 95(2) . . ?
Ru4 Ru1 H1 92(2) . . ?
C5 Ru1 H3 153.2(14) . . ?
C1 Ru1 H3 116.3(13) . . ?
C2 Ru1 H3 101.1(13) . . ?
C4 Ru1 H3 156.4(13) . . ?
C3 Ru1 H3 119.6(13) . . ?
Ru2 Ru1 H3 44.7(13) . . ?
Ru3 Ru1 H3 39.0(13) . . ?
Ru4 Ru1 H3 81.1(13) . . ?
H1 Ru1 H3 63(2) . . ?
C5 Ru1 H4 98.6(18) . . ?
C1 Ru1 H4 116.1(18) . . ?
C2 Ru1 H4 153.7(18) . . ?
C4 Ru1 H4 116.2(18) . . ?
C3 Ru1 H4 153.0(18) . . ?
Ru2 Ru1 H4 44.0(18) . . ?
Ru3 Ru1 H4 83.5(18) . . ?
Ru4 Ru1 H4 41.7(17) . . ?
H1 Ru1 H4 57(3) . . ?
H3 Ru1 H4 86(2) . . ?
C5 Ru1 H5 129.4(16) . . ?
C1 Ru1 H5 157.1(15) . . ?
C2 Ru1 H5 124.6(15) . . ?
C4 Ru1 H5 96.6(15) . . ?
C3 Ru1 H5 94.3(15) . . ?
Ru2 Ru1 H5 88.1(15) . . ?
Ru3 Ru1 H5 38.4(16) . . ?
Ru4 Ru1 H5 40.1(15) . . ?
H1 Ru1 H5 123(3) . . ?
H3 Ru1 H5 77(2) . . ?
H4 Ru1 H5 82(2) . . ?
C13 Ru2 C12 38.24(19) . . ?
C13 Ru2 C14 37.93(18) . . ?
C12 Ru2 C14 63.54(16) . . ?
C13 Ru2 C11 63.21(16) . . ?
C12 Ru2 C11 37.89(17) . . ?
C14 Ru2 C11 62.69(16) . . ?
C13 Ru2 C15 63.08(16) . . ?
C12 Ru2 C15 63.13(16) . . ?
C14 Ru2 C15 37.49(17) . . ?
C11 Ru2 C15 37.22(17) . . ?
C13 Ru2 Ru1 116.81(11) . . ?
C12 Ru2 Ru1 118.17(11) . . ?
C14 Ru2 Ru1 141.17(13) . . ?
C11 Ru2 Ru1 144.77(12) . . ?
C15 Ru2 Ru1 177.97(13) . . ?
C13 Ru2 Ru4 136.26(14) . . ?
C12 Ru2 Ru4 174.48(14) . . ?
C14 Ru2 Ru4 112.27(12) . . ?
C11 Ru2 Ru4 144.60(12) . . ?
C15 Ru2 Ru4 116.11(12) . . ?
Ru1 Ru2 Ru4 62.425(11) . . ?
C13 Ru2 Ru3 168.33(14) . . ?
C12 Ru2 Ru3 130.76(13) . . ?
C14 Ru2 Ru3 149.99(13) . . ?
C11 Ru2 Ru3 110.50(11) . . ?
C15 Ru2 Ru3 118.65(12) . . ?
Ru1 Ru2 Ru3 61.915(11) . . ?
Ru4 Ru2 Ru3 54.692(10) . . ?
C13 Ru2 H1 85(2) . . ?
C12 Ru2 H1 89(2) . . ?
C14 Ru2 H1 117(2) . . ?
C11 Ru2 H1 125(2) . . ?
C15 Ru2 H1 148(2) . . ?
Ru1 Ru2 H1 33(2) . . ?
Ru4 Ru2 H1 90(2) . . ?
Ru3 Ru2 H1 92(2) . . ?
C13 Ru2 H3 131.8(13) . . ?
C12 Ru2 H3 103.1(14) . . ?
C14 Ru2 H3 166.5(14) . . ?
C11 Ru2 H3 106.1(14) . . ?
C15 Ru2 H3 136.8(14) . . ?
Ru1 Ru2 H3 45.0(14) . . ?
Ru4 Ru2 H3 81.2(14) . . ?
Ru3 Ru2 H3 38.3(13) . . ?
H1 Ru2 H3 62(2) . . ?
C13 Ru2 H4 104.8(17) . . ?
C12 Ru2 H4 134.4(17) . . ?
C14 Ru2 H4 105.5(17) . . ?
C11 Ru2 H4 167.3(17) . . ?
C15 Ru2 H4 135.2(17) . . ?
Ru1 Ru2 H4 42.8(17) . . ?
Ru4 Ru2 H4 41.8(17) . . ?
Ru3 Ru2 H4 82.0(17) . . ?
H1 Ru2 H4 55(3) . . ?
H3 Ru2 H4 85(2) . . ?
C13 Ru2 H6 151.2(16) . . ?
C12 Ru2 H6 142.8(17) . . ?
C14 Ru2 H6 113.3(16) . . ?
C11 Ru2 H6 105.7(17) . . ?
C15 Ru2 H6 91.7(16) . . ?
Ru1 Ru2 H6 87.9(16) . . ?
Ru4 Ru2 H6 41.3(17) . . ?
Ru3 Ru2 H6 37.7(16) . . ?
H1 Ru2 H6 120(3) . . ?
H3 Ru2 H6 76(2) . . ?
H4 Ru2 H6 83(2) . . ?
C24 Ru3 C23 38.44(15) . . ?
C24 Ru3 C22 64.35(15) . . ?
C23 Ru3 C22 38.53(15) . . ?
C24 Ru3 C25 38.44(16) . . ?
C23 Ru3 C25 63.84(15) . . ?
C22 Ru3 C25 63.39(15) . . ?
C24 Ru3 C21 64.01(15) . . ?
C23 Ru3 C21 63.92(15) . . ?
C22 Ru3 C21 37.93(15) . . ?
C25 Ru3 C21 37.57(16) . . ?
C24 Ru3 Ru4 123.26(12) . . ?
C23 Ru3 Ru4 115.81(11) . . ?
C22 Ru3 Ru4 134.85(11) . . ?
C25 Ru3 Ru4 153.14(12) . . ?
C21 Ru3 Ru4 169.13(11) . . ?
C24 Ru3 Ru1 126.14(11) . . ?
C23 Ru3 Ru1 162.77(11) . . ?
C22 Ru3 Ru1 154.71(11) . . ?
C25 Ru3 Ru1 109.00(11) . . ?
C21 Ru3 Ru1 121.00(11) . . ?
Ru4 Ru3 Ru1 62.810(11) . . ?
C24 Ru3 Ru2 174.22(12) . . ?
C23 Ru3 Ru2 141.26(11) . . ?
C22 Ru3 Ru2 112.08(10) . . ?
C25 Ru3 Ru2 136.30(12) . . ?
C21 Ru3 Ru2 110.30(10) . . ?
Ru4 Ru3 Ru2 62.515(11) . . ?
Ru1 Ru3 Ru2 55.085(10) . . ?
C24 Ru3 H2 83(2) . . ?
C23 Ru3 H2 71(2) . . ?
C22 Ru3 H2 101(2) . . ?
C25 Ru3 H2 122(2) . . ?
C21 Ru3 H2 135(2) . . ?
Ru4 Ru3 H2 45(2) . . ?
Ru1 Ru3 H2 103(2) . . ?
Ru2 Ru3 H2 102(2) . . ?
C24 Ru3 H3 137.1(14) . . ?
C23 Ru3 H3 152.6(14) . . ?
C22 Ru3 H3 115.2(14) . . ?
C25 Ru3 H3 100.4(14) . . ?
C21 Ru3 H3 89.7(14) . . ?
Ru4 Ru3 H3 88.6(14) . . ?
Ru1 Ru3 H3 40.2(14) . . ?
Ru2 Ru3 H3 39.2(13) . . ?
H2 Ru3 H3 134(3) . . ?
C24 Ru3 H5 103.6(15) . . ?
C23 Ru3 H5 128.3(15) . . ?
C22 Ru3 H5 166.6(15) . . ?
C25 Ru3 H5 111.3(14) . . ?
C21 Ru3 H5 143.8(15) . . ?
Ru4 Ru3 H5 45.8(14) . . ?
Ru1 Ru3 H5 37.2(15) . . ?
Ru2 Ru3 H5 80.4(15) . . ?
H2 Ru3 H5 71(3) . . ?
H3 Ru3 H5 77(2) . . ?
C24 Ru3 H6 146.0(16) . . ?
C23 Ru3 H6 110.4(16) . . ?
C22 Ru3 H6 99.7(17) . . ?
C25 Ru3 H6 159.9(17) . . ?
C21 Ru3 H6 122.4(17) . . ?
Ru4 Ru3 H6 46.8(17) . . ?
Ru1 Ru3 H6 81.6(17) . . ?
Ru2 Ru3 H6 37.2(16) . . ?
H2 Ru3 H6 70(3) . . ?
H3 Ru3 H6 76(2) . . ?
H5 Ru3 H6 88(2) . . ?
C34B Ru4 C33B 38.73(14) . . ?
C34B Ru4 C35B 38.60(13) . . ?
C33B Ru4 C35B 64.2(2) . . ?
C35A Ru4 C31A 37.92(7) . . ?
C34B Ru4 C32B 63.9(2) . . ?
C33B Ru4 C32B 37.95(14) . . ?
C35B Ru4 C32B 63.3(2) . . ?
C34B Ru4 C31B 63.8(2) . . ?
C33B Ru4 C31B 63.4(2) . . ?
C35B Ru4 C31B 37.77(13) . . ?
C32B Ru4 C31B 37.41(13) . . ?
C35A Ru4 C34A 37.65(7) . . ?
C31A Ru4 C34A 62.84(11) . . ?
C35A Ru4 C32A 62.76(10) . . ?
C31A Ru4 C32A 37.46(7) . . ?
C34A Ru4 C32A 62.18(10) . . ?
C35A Ru4 C33A 62.46(10) . . ?
C31A Ru4 C33A 62.34(10) . . ?
C34A Ru4 C33A 37.06(7) . . ?
C32A Ru4 C33A 36.95(6) . . ?
C34B Ru4 Ru3 115.60(16) . . ?
C33B Ru4 Ru3 139.36(17) . . ?
C35B Ru4 Ru3 118.89(15) . . ?
C35A Ru4 Ru3 116.06(9) . . ?
C31A Ru4 Ru3 133.78(9) . . ?
C32B Ru4 Ru3 176.27(17) . . ?
C31B Ru4 Ru3 146.16(16) . . ?
C34A Ru4 Ru3 125.24(9) . . ?
C32A Ru4 Ru3 167.77(8) . . ?
C33A Ru4 Ru3 154.84(8) . . ?
C34B Ru4 Ru1 138.48(16) . . ?
C33B Ru4 Ru1 113.02(18) . . ?
C35B Ru4 Ru1 176.99(15) . . ?
C35A Ru4 Ru1 157.04(9) . . ?
C31A Ru4 Ru1 159.58(9) . . ?
C32B Ru4 Ru1 115.46(18) . . ?
C31B Ru4 Ru1 142.83(16) . . ?
C34A Ru4 Ru1 122.26(9) . . ?
C32A Ru4 Ru1 124.20(8) . . ?
C33A Ru4 Ru1 108.62(8) . . ?
Ru3 Ru4 Ru1 62.162(11) . . ?
C34B Ru4 H2 80.5(17) . . ?
C33B Ru4 H2 113.2(17) . . ?
C35B Ru4 H2 85.9(17) . . ?
C35A Ru4 H2 79.8(17) . . ?
C31A Ru4 H2 105.2(17) . . ?
C32B Ru4 H2 144.0(17) . . ?
C31B Ru4 H2 121.8(17) . . ?
C34A Ru4 H2 94.8(17) . . ?
C32A Ru4 H2 141.2(17) . . ?
C33A Ru4 H2 131.8(17) . . ?
Ru3 Ru4 H2 36.3(17) . . ?
Ru1 Ru4 H2 94.3(17) . . ?
C34B Ru4 H4 152.4(17) . . ?
C33B Ru4 H4 113.7(17) . . ?
C35B Ru4 H4 143.3(16) . . ?
C35A Ru4 H4 156.4(17) . . ?
C31A Ru4 H4 122.2(16) . . ?
C32B Ru4 H4 92.3(17) . . ?
C31B Ru4 H4 106.5(16) . . ?
C34A Ru4 H4 132.1(17) . . ?
C32A Ru4 H4 93.6(16) . . ?
C33A Ru4 H4 98.7(17) . . ?
Ru3 Ru4 H4 87.1(17) . . ?
Ru1 Ru4 H4 38.2(16) . . ?
H2 Ru4 H4 123(2) . . ?
C34B Ru4 H5 109.4(14) . . ?
C33B Ru4 H5 105.8(15) . . ?
C35B Ru4 H5 141.2(14) . . ?
C35A Ru4 H5 123.9(14) . . ?
C31A Ru4 H5 161.8(14) . . ?
C32B Ru4 H5 132.6(15) . . ?
C31B Ru4 H5 169.0(15) . . ?
C34A Ru4 H5 102.9(14) . . ?
C32A Ru4 H5 148.0(15) . . ?
C33A Ru4 H5 114.0(15) . . ?
Ru3 Ru4 H5 43.8(15) . . ?
Ru1 Ru4 H5 37.3(14) . . ?
H2 Ru4 H5 63(2) . . ?
H4 Ru4 H5 75(2) . . ?
C34B Ru4 H6 129.9(15) . . ?
C33B Ru4 H6 167.3(15) . . ?
C35B Ru4 H6 103.2(15) . . ?
C35A Ru4 H6 115.8(15) . . ?
C31A Ru4 H6 104.3(15) . . ?
C32B Ru4 H6 139.8(15) . . ?
C31B Ru4 H6 108.2(15) . . ?
C34A Ru4 H6 150.7(15) . . ?
C32A Ru4 H6 124.7(15) . . ?
C33A Ru4 H6 161.5(15) . . ?
Ru3 Ru4 H6 43.6(15) . . ?
Ru1 Ru4 H6 79.5(15) . . ?
H2 Ru4 H6 62(2) . . ?
H4 Ru4 H6 77(2) . . ?
H5 Ru4 H6 83(2) . . ?
C2 C1 C5 108.1(4) . . ?
C2 C1 C6 124.4(6) . . ?
C5 C1 C6 127.1(6) . . ?
C2 C1 Ru1 71.1(2) . . ?
C5 C1 Ru1 70.2(2) . . ?
C6 C1 Ru1 130.4(3) . . ?
C3 C2 C1 107.4(4) . . ?
C3 C2 C7 127.0(5) . . ?
C1 C2 C7 125.4(5) . . ?
C3 C2 Ru1 71.8(2) . . ?
C1 C2 Ru1 70.7(2) . . ?
C7 C2 Ru1 127.0(3) . . ?
C4 C3 C2 108.5(4) . . ?
C4 C3 C8 123.2(5) . . ?
C2 C3 C8 127.8(5) . . ?
C4 C3 Ru1 71.3(2) . . ?
C2 C3 Ru1 70.3(2) . . ?
C8 C3 Ru1 130.3(3) . . ?
C3 C4 C5 108.4(4) . . ?
C3 C4 C9 123.2(6) . . ?
C5 C4 C9 127.9(6) . . ?
C3 C4 Ru1 71.4(2) . . ?
C5 C4 Ru1 69.5(2) . . ?
C9 C4 Ru1 131.7(3) . . ?
C4 C5 C1 107.6(4) . . ?
C4 C5 C10 127.1(6) . . ?
C1 C5 C10 125.1(6) . . ?
C4 C5 Ru1 72.5(3) . . ?
C1 C5 Ru1 71.4(2) . . ?
C10 C5 Ru1 126.0(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 108.6(4) . . ?
C15 C11 C16 126.5(5) . . ?
C12 C11 C16 123.8(5) . . ?
C15 C11 Ru2 72.1(2) . . ?
C12 C11 Ru2 69.9(2) . . ?
C16 C11 Ru2 133.1(3) . . ?
C11 C12 C13 107.4(4) . . ?
C11 C12 C17 125.8(5) . . ?
C13 C12 C17 126.5(5) . . ?
C11 C12 Ru2 72.2(2) . . ?
C13 C12 Ru2 70.7(2) . . ?
C17 C12 Ru2 127.4(3) . . ?
C14 C13 C12 108.2(4) . . ?
C14 C13 C18 124.5(5) . . ?
C12 C13 C18 126.9(5) . . ?
C14 C13 Ru2 72.2(2) . . ?
C12 C13 Ru2 71.1(2) . . ?
C18 C13 Ru2 128.3(3) . . ?
C13 C14 C15 107.9(4) . . ?
C13 C14 C19 125.0(5) . . ?
C15 C14 C19 126.4(5) . . ?
C13 C14 Ru2 69.9(2) . . ?
C15 C14 Ru2 72.2(2) . . ?
C19 C14 Ru2 130.4(3) . . ?
C11 C15 C14 107.8(4) . . ?
C11 C15 C20 124.9(5) . . ?
C14 C15 C20 127.0(5) . . ?
C11 C15 Ru2 70.6(2) . . ?
C14 C15 Ru2 70.3(2) . . ?
C20 C15 Ru2 128.8(3) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C25 C21 C22 107.7(4) . . ?
C25 C21 C26 125.0(4) . . ?
C22 C21 C26 127.2(4) . . ?
C25 C21 Ru3 70.6(2) . . ?
C22 C21 Ru3 69.8(2) . . ?
C26 C21 Ru3 128.9(3) . . ?
C21 C22 C23 108.3(4) . . ?
C21 C22 C27 127.6(4) . . ?
C23 C22 C27 123.6(4) . . ?
C21 C22 Ru3 72.3(2) . . ?
C23 C22 Ru3 70.6(2) . . ?
C27 C22 Ru3 129.1(3) . . ?
C24 C23 C22 107.7(4) . . ?
C24 C23 C28 127.6(4) . . ?
C22 C23 C28 124.2(4) . . ?
C24 C23 Ru3 70.5(2) . . ?
C22 C23 Ru3 70.9(2) . . ?
C28 C23 Ru3 130.0(3) . . ?
C23 C24 C25 107.5(4) . . ?
C23 C24 C29 127.0(4) . . ?
C25 C24 C29 125.3(4) . . ?
C23 C24 Ru3 71.1(2) . . ?
C25 C24 Ru3 71.8(2) . . ?
C29 C24 Ru3 126.2(3) . . ?
C21 C25 C24 108.8(4) . . ?
C21 C25 C30 124.4(4) . . ?
C24 C25 C30 125.9(4) . . ?
C21 C25 Ru3 71.9(2) . . ?
C24 C25 Ru3 69.7(2) . . ?
C30 C25 Ru3 132.8(3) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32A C31A C35A 108.0 . . ?
C32A C31A C36A 126.0 . . ?
C35A C31A C36A 126.0 . . ?
C32A C31A Ru4 72.88(12) . . ?
C35A C31A Ru4 70.73(12) . . ?
C36A C31A Ru4 122.08(11) . . ?
C33A C32A C31A 108.0 . . ?
C33A C32A C37A 126.0 . . ?
C31A C32A C37A 126.0 . . ?
C33A C32A Ru4 72.20(12) . . ?
C31A C32A Ru4 69.66(12) . . ?
C37A C32A Ru4 123.76(11) . . ?
C32A C33A C34A 108.0 . . ?
C32A C33A C38A 126.0 . . ?
C34A C33A C38A 126.0 . . ?
C32A C33A Ru4 70.84(11) . . ?
C34A C33A Ru4 70.30(12) . . ?
C38A C33A Ru4 124.47(12) . . ?
C35A C34A C33A 108.0 . . ?
C35A C34A C39A 126.0 . . ?
C33A C34A C39A 126.0 . . ?
C35A C34A Ru4 69.75(12) . . ?
C33A C34A Ru4 72.64(12) . . ?
C39A C34A Ru4 123.24(11) . . ?
C34A C35A C31A 108.0 . . ?
C34A C35A C40A 126.0 . . ?
C31A C35A C40A 126.0 . . ?
C34A C35A Ru4 72.60(12) . . ?
C31A C35A Ru4 71.35(12) . . ?
C40A C35A Ru4 121.76(12) . . ?
C32B C31B C35B 108.0 . . ?
C32B C31B C36B 126.0 . . ?
C35B C31B C36B 126.0 . . ?
C32B C31B Ru4 71.0(2) . . ?
C35B C31B Ru4 69.2(2) . . ?
C36B C31B Ru4 125.4(2) . . ?
C33B C32B C31B 108.0 . . ?
C33B C32B C37B 126.0 . . ?
C31B C32B C37B 126.0 . . ?
C33B C32B Ru4 68.9(2) . . ?
C31B C32B Ru4 71.6(2) . . ?
C37B C32B Ru4 125.1(2) . . ?
C32B C33B C34B 108.0 . . ?
C32B C33B C38B 126.0 . . ?
C34B C33B C38B 126.0 . . ?
C32B C33B Ru4 73.1(2) . . ?
C34B C33B Ru4 69.6(2) . . ?
C38B C33B Ru4 122.9(2) . . ?
C35B C34B C33B 108.0 . . ?
C35B C34B C39B 126.0 . . ?
C33B C34B C39B 126.0 . . ?
C35B C34B Ru4 72.2(2) . . ?
C33B C34B Ru4 71.7(2) . . ?
C39B C34B Ru4 121.8(2) . . ?
C34B C35B C31B 108.0 . . ?
C34B C35B C40B 126.0 . . ?
C31B C35B C40B 126.0 . . ?
C34B C35B Ru4 69.2(2) . . ?
C31B C35B Ru4 73.0(2) . . ?
C40B C35B Ru4 123.4(2) . . ?

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
C5 C1 C2 C3 -2.1(5) . . . . ?
C6 C1 C2 C3 170.6(4) . . . . ?
Ru1 C1 C2 C3 -62.8(3) . . . . ?
C5 C1 C2 C7 -177.1(4) . . . . ?
C6 C1 C2 C7 -4.4(7) . . . . ?
Ru1 C1 C2 C7 122.2(4) . . . . ?
C5 C1 C2 Ru1 60.7(3) . . . . ?
C6 C1 C2 Ru1 -126.6(4) . . . . ?
C1 C2 C3 C4 0.8(5) . . . . ?
C7 C2 C3 C4 175.6(4) . . . . ?
Ru1 C2 C3 C4 -61.4(3) . . . . ?
C1 C2 C3 C8 -171.5(4) . . . . ?
C7 C2 C3 C8 3.3(7) . . . . ?
Ru1 C2 C3 C8 126.3(5) . . . . ?
C1 C2 C3 Ru1 62.2(3) . . . . ?
C7 C2 C3 Ru1 -123.0(5) . . . . ?
C2 C3 C4 C5 0.9(5) . . . . ?
C8 C3 C4 C5 173.6(4) . . . . ?
Ru1 C3 C4 C5 -59.9(3) . . . . ?
C2 C3 C4 C9 -171.0(4) . . . . ?
C8 C3 C4 C9 1.7(7) . . . . ?
Ru1 C3 C4 C9 128.2(5) . . . . ?
C2 C3 C4 Ru1 60.8(3) . . . . ?
C8 C3 C4 Ru1 -126.5(4) . . . . ?
C3 C4 C5 C1 -2.2(5) . . . . ?
C9 C4 C5 C1 169.2(4) . . . . ?
Ru1 C4 C5 C1 -63.3(3) . . . . ?
C3 C4 C5 C10 -176.6(4) . . . . ?
C9 C4 C5 C10 -5.2(8) . . . . ?
Ru1 C4 C5 C10 122.3(5) . . . . ?
C3 C4 C5 Ru1 61.1(3) . . . . ?
C9 C4 C5 Ru1 -127.5(5) . . . . ?
C2 C1 C5 C4 2.7(5) . . . . ?
C6 C1 C5 C4 -169.8(4) . . . . ?
Ru1 C1 C5 C4 63.9(3) . . . . ?
C2 C1 C5 C10 177.2(4) . . . . ?
C6 C1 C5 C10 4.8(7) . . . . ?
Ru1 C1 C5 C10 -121.5(5) . . . . ?
C2 C1 C5 Ru1 -61.3(3) . . . . ?
C6 C1 C5 Ru1 126.2(5) . . . . ?
C15 C11 C12 C13 -0.2(4) . . . . ?
C16 C11 C12 C13 168.7(4) . . . . ?
Ru2 C11 C12 C13 -62.3(3) . . . . ?
C15 C11 C12 C17 -174.2(4) . . . . ?
C16 C11 C12 C17 -5.4(7) . . . . ?
Ru2 C11 C12 C17 123.7(4) . . . . ?
C15 C11 C12 Ru2 62.1(3) . . . . ?
C16 C11 C12 Ru2 -129.0(4) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C17 C12 C13 C14 174.2(4) . . . . ?
Ru2 C12 C13 C14 -63.1(3) . . . . ?
C11 C12 C13 C18 -172.5(4) . . . . ?
C17 C12 C13 C18 1.5(7) . . . . ?
Ru2 C12 C13 C18 124.2(4) . . . . ?
C11 C12 C13 Ru2 63.3(3) . . . . ?
C17 C12 C13 Ru2 -122.7(4) . . . . ?
C12 C13 C14 C15 -0.2(4) . . . . ?
C18 C13 C14 C15 172.8(4) . . . . ?
Ru2 C13 C14 C15 -62.5(3) . . . . ?
C12 C13 C14 C19 -171.7(4) . . . . ?
C18 C13 C14 C19 1.2(7) . . . . ?
Ru2 C13 C14 C19 125.9(4) . . . . ?
C12 C13 C14 Ru2 62.4(3) . . . . ?
C18 C13 C14 Ru2 -124.7(4) . . . . ?
C12 C11 C15 C14 0.1(5) . . . . ?
C16 C11 C15 C14 -168.4(4) . . . . ?
Ru2 C11 C15 C14 60.8(3) . . . . ?
C12 C11 C15 C20 175.0(4) . . . . ?
C16 C11 C15 C20 6.5(7) . . . . ?
Ru2 C11 C15 C20 -124.3(4) . . . . ?
C12 C11 C15 Ru2 -60.7(3) . . . . ?
C16 C11 C15 Ru2 130.8(4) . . . . ?
C13 C14 C15 C11 0.0(5) . . . . ?
C19 C14 C15 C11 171.5(4) . . . . ?
Ru2 C14 C15 C11 -61.0(3) . . . . ?
C13 C14 C15 C20 -174.7(4) . . . . ?
C19 C14 C15 C20 -3.3(7) . . . . ?
Ru2 C14 C15 C20 124.3(4) . . . . ?
C13 C14 C15 Ru2 61.0(3) . . . . ?
C19 C14 C15 Ru2 -127.5(5) . . . . ?
C25 C21 C22 C23 -1.0(4) . . . . ?
C26 C21 C22 C23 174.1(4) . . . . ?
Ru3 C21 C22 C23 -61.7(3) . . . . ?
C25 C21 C22 C27 -173.2(4) . . . . ?
C26 C21 C22 C27 1.9(7) . . . . ?
Ru3 C21 C22 C27 126.1(4) . . . . ?
C25 C21 C22 Ru3 60.7(3) . . . . ?
C26 C21 C22 Ru3 -124.2(4) . . . . ?
C21 C22 C23 C24 1.6(4) . . . . ?
C27 C22 C23 C24 174.2(4) . . . . ?
Ru3 C22 C23 C24 -61.2(3) . . . . ?
C21 C22 C23 C28 -171.2(4) . . . . ?
C27 C22 C23 C28 1.4(6) . . . . ?
Ru3 C22 C23 C28 126.0(4) . . . . ?
C21 C22 C23 Ru3 62.8(3) . . . . ?
C27 C22 C23 Ru3 -124.6(4) . . . . ?
C22 C23 C24 C25 -1.6(4) . . . . ?
C28 C23 C24 C25 170.9(4) . . . . ?
Ru3 C23 C24 C25 -63.0(3) . . . . ?
C22 C23 C24 C29 -177.0(4) . . . . ?
C28 C23 C24 C29 -4.5(7) . . . . ?
Ru3 C23 C24 C29 121.6(4) . . . . ?
C22 C23 C24 Ru3 61.5(3) . . . . ?
C28 C23 C24 Ru3 -126.0(4) . . . . ?
C22 C21 C25 C24 0.0(4) . . . . ?
C26 C21 C25 C24 -175.3(4) . . . . ?
Ru3 C21 C25 C24 60.2(3) . . . . ?
C22 C21 C25 C30 169.9(4) . . . . ?
C26 C21 C25 C30 -5.4(7) . . . . ?
Ru3 C21 C25 C30 -129.9(4) . . . . ?
C22 C21 C25 Ru3 -60.2(3) . . . . ?
C26 C21 C25 Ru3 124.5(4) . . . . ?
C23 C24 C25 C21 1.0(4) . . . . ?
C29 C24 C25 C21 176.5(4) . . . . ?
Ru3 C24 C25 C21 -61.6(3) . . . . ?
C23 C24 C25 C30 -168.7(4) . . . . ?
C29 C24 C25 C30 6.8(7) . . . . ?
Ru3 C24 C25 C30 128.8(4) . . . . ?
C23 C24 C25 Ru3 62.6(3) . . . . ?
C29 C24 C25 Ru3 -121.9(4) . . . . ?
C35A C31A C32A C33A 0.0 . . . . ?
C36A C31A C32A C33A 180.0 . . . . ?
Ru4 C31A C32A C33A -62.41(12) . . . . ?
C35A C31A C32A C37A 180.0 . . . . ?
C36A C31A C32A C37A 0.0 . . . . ?
Ru4 C31A C32A C37A 117.59(12) . . . . ?
C35A C31A C32A Ru4 62.40(12) . . . . ?
C36A C31A C32A Ru4 -117.59(12) . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C37A C32A C33A C34A 180.0 . . . . ?
Ru4 C32A C33A C34A -60.78(13) . . . . ?
C31A C32A C33A C38A 180.0 . . . . ?
C37A C32A C33A C38A 0.0 . . . . ?
Ru4 C32A C33A C38A 119.22(13) . . . . ?
C31A C32A C33A Ru4 60.78(13) . . . . ?
C37A C32A C33A Ru4 -119.22(13) . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
C38A C33A C34A C35A 180.0 . . . . ?
Ru4 C33A C34A C35A -61.12(12) . . . . ?
C32A C33A C34A C39A 180.0 . . . . ?
C38A C33A C34A C39A 0.0 . . . . ?
Ru4 C33A C34A C39A 118.87(12) . . . . ?
C32A C33A C34A Ru4 61.13(12) . . . . ?
C38A C33A C34A Ru4 -118.87(12) . . . . ?
C33A C34A C35A C31A 0.0 . . . . ?
C39A C34A C35A C31A 180.0 . . . . ?
Ru4 C34A C35A C31A -62.99(12) . . . . ?
C33A C34A C35A C40A 180.0 . . . . ?
C39A C34A C35A C40A 0.0 . . . . ?
Ru4 C34A C35A C40A 117.02(12) . . . . ?
C33A C34A C35A Ru4 62.98(12) . . . . ?
C39A C34A C35A Ru4 -117.01(12) . . . . ?
C32A C31A C35A C34A 0.0 . . . . ?
C36A C31A C35A C34A 180.0 . . . . ?
Ru4 C31A C35A C34A 63.80(13) . . . . ?
C32A C31A C35A C40A 180.0 . . . . ?
C36A C31A C35A C40A 0.0 . . . . ?
Ru4 C31A C35A C40A -116.20(13) . . . . ?
C32A C31A C35A Ru4 -63.80(13) . . . . ?
C36A C31A C35A Ru4 116.20(13) . . . . ?
C35B C31B C32B C33B 0.0 . . . . ?
C36B C31B C32B C33B 180.0 . . . . ?
Ru4 C31B C32B C33B -59.5(2) . . . . ?
C35B C31B C32B C37B 180.0 . . . . ?
C36B C31B C32B C37B 0.0 . . . . ?
Ru4 C31B C32B C37B 120.5(2) . . . . ?
C35B C31B C32B Ru4 59.5(2) . . . . ?
C36B C31B C32B Ru4 -120.5(2) . . . . ?
C31B C32B C33B C34B 0.0 . . . . ?
C37B C32B C33B C34B 180.0 . . . . ?
Ru4 C32B C33B C34B -61.2(2) . . . . ?
C31B C32B C33B C38B 180.0 . . . . ?
C37B C32B C33B C38B 0.0 . . . . ?
Ru4 C32B C33B C38B 118.8(2) . . . . ?
C31B C32B C33B Ru4 61.2(2) . . . . ?
C37B C32B C33B Ru4 -118.8(2) . . . . ?
C32B C33B C34B C35B 0.0 . . . . ?
C38B C33B C34B C35B 180.0 . . . . ?
Ru4 C33B C34B C35B -63.5(2) . . . . ?
C32B C33B C34B C39B 180.0 . . . . ?
C38B C33B C34B C39B 0.0 . . . . ?
Ru4 C33B C34B C39B 116.5(2) . . . . ?
C32B C33B C34B Ru4 63.5(2) . . . . ?
C38B C33B C34B Ru4 -116.5(2) . . . . ?
C33B C34B C35B C31B 0.0 . . . . ?
C39B C34B C35B C31B 180.0 . . . . ?
Ru4 C34B C35B C31B -63.2(2) . . . . ?
C33B C34B C35B C40B 180.0 . . . . ?
C39B C34B C35B C40B 0.0 . . . . ?
Ru4 C34B C35B C40B 116.9(2) . . . . ?
C33B C34B C35B Ru4 63.1(2) . . . . ?
C39B C34B C35B Ru4 -116.9(2) . . . . ?
C32B C31B C35B C34B 0.0 . . . . ?
C36B C31B C35B C34B 180.0 . . . . ?
Ru4 C31B C35B C34B 60.7(2) . . . . ?
C32B C31B C35B C40B 180.0 . . . . ?
C36B C31B C35B C40B 0.0 . . . . ?
Ru4 C31B C35B C40B -119.3(2) . . . . ?
C32B C31B C35B Ru4 -60.7(2) . . . . ?
C36B C31B C35B Ru4 119.3(2) . . . . ?

_refine_diff_density_max         1.801
_refine_diff_density_min         -1.252
_refine_diff_density_rms         0.142

####################################################################### 
# 
# 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_10-CpEt
_database_code_depnum_ccdc_archive 'CCDC 1519875'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H72 Ru4'
_chemical_formula_weight         1005.29

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

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

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

_cell_length_a                   15.2441(3)
_cell_length_b                   17.0861(5)
_cell_length_c                   16.0747(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4186.85(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    46200
_cell_measurement_theta_min      3.013
_cell_measurement_theta_max      27.482

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_F_000             2048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.341
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.131
_exptl_absorpt_coefficient_mu    1.444
_shelx_estimated_absorpt_T_min   0.639
_shelx_estimated_absorpt_T_max   0.833
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.7186
_exptl_absorpt_correction_T_max  0.8436
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku Rotating Anode Ultrax18'
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10
_diffrn_reflns_number            44573
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.013
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4934
_reflns_number_gt                4777
_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       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0266P)²+4.4505P] 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         4934
_refine_ls_number_parameters     249
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0264
_refine_ls_wR_factor_ref         0.0699
_refine_ls_wR_factor_gt          0.0692
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.004
_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 0.23578(2) 0.33155(2) 0.50292(2) 0.01370(7) Uani 1 1 d . . . . .
Ru2 Ru 0.35366(2) 0.250000 0.40212(2) 0.01259(7) Uani 1 2 d S T P . .
Ru3 Ru 0.37492(2) 0.250000 0.57476(2) 0.01356(7) Uani 1 2 d S T P . .
C1 C 0.10199(15) 0.38031(14) 0.50513(13) 0.0204(4) Uani 1 1 d . . . . .
C2 C 0.15028(15) 0.41357(13) 0.43678(13) 0.0208(4) Uani 1 1 d . . . . .
C3 C 0.22241(15) 0.45583(13) 0.46985(15) 0.0227(4) Uani 1 1 d . . . . .
C4 C 0.22099(15) 0.44815(13) 0.55851(14) 0.0236(5) Uani 1 1 d . . . . .
C5 C 0.14695(15) 0.40163(13) 0.58022(14) 0.0228(5) Uani 1 1 d . . . . .
C6 C 0.01268(18) 0.34515(16) 0.50060(17) 0.0328(6) Uani 1 1 d . . . . .
H6A H 0.004496 0.308748 0.547877 0.039 Uiso 1 1 calc R U . . .
H6B H 0.007179 0.314677 0.448477 0.039 Uiso 1 1 calc R U . . .
C7 C -0.05943(17) 0.40856(17) 0.50312(19) 0.0404(7) Uani 1 1 d . . . . .
H7A H -0.117247 0.383514 0.501892 0.061 Uiso 1 1 calc R U . . .
H7B H -0.053259 0.443097 0.454795 0.061 Uiso 1 1 calc R U . . .
H7C H -0.053554 0.439328 0.554270 0.061 Uiso 1 1 calc R U . . .
C8 C 0.12247(18) 0.40965(16) 0.34755(15) 0.0338(6) Uani 1 1 d . . . . .
H8A H 0.173221 0.419512 0.311623 0.051 Uiso 1 1 calc R U . . .
H8B H 0.077359 0.449298 0.337013 0.051 Uiso 1 1 calc R U . . .
H8C H 0.098627 0.357587 0.335601 0.051 Uiso 1 1 calc R U . . .
C9 C 0.2836(2) 0.50974(15) 0.42429(19) 0.0404(7) Uani 1 1 d . . . . .
H9A H 0.344339 0.493403 0.434162 0.061 Uiso 1 1 calc R U . . .
H9B H 0.275403 0.563378 0.444433 0.061 Uiso 1 1 calc R U . . .
H9C H 0.270992 0.507613 0.364555 0.061 Uiso 1 1 calc R U . . .
C10 C 0.27881(19) 0.49512(17) 0.61583(19) 0.0431(7) Uani 1 1 d . . . . .
H10A H 0.276987 0.472363 0.671771 0.065 Uiso 1 1 calc R U . . .
H10B H 0.257800 0.549287 0.617966 0.065 Uiso 1 1 calc R U . . .
H10C H 0.339235 0.494249 0.595054 0.065 Uiso 1 1 calc R U . . .
C11 C 0.11645(19) 0.38344(18) 0.66636(16) 0.0409(7) Uani 1 1 d . . . . .
H11A H 0.166593 0.384478 0.704497 0.061 Uiso 1 1 calc R U . . .
H11B H 0.089546 0.331358 0.667285 0.061 Uiso 1 1 calc R U . . .
H11C H 0.073187 0.422557 0.683835 0.061 Uiso 1 1 calc R U . . .
C12 C 0.34450(19) 0.250000 0.26663(17) 0.0190(6) Uani 1 2 d S T P . .
C13 C 0.39196(14) 0.31802(13) 0.29196(12) 0.0185(4) Uani 1 1 d . . . . .
C14 C 0.46977(13) 0.29168(12) 0.33459(11) 0.0172(4) Uani 1 1 d . . . . .
C15 C 0.2631(2) 0.250000 0.21284(19) 0.0278(7) Uani 1 2 d S T P . .
C16 C 0.2884(3) 0.250000 0.1204(2) 0.0401(9) Uani 1 2 d S T P . .
C17 C 0.37551(17) 0.40034(14) 0.26505(15) 0.0299(5) Uani 1 1 d . . . . .
H17A H 0.402427 0.436457 0.304943 0.045 Uiso 1 1 calc R U . . .
H17B H 0.312169 0.409871 0.262677 0.045 Uiso 1 1 calc R U . . .
H17C H 0.401144 0.408741 0.209854 0.045 Uiso 1 1 calc R U . . .
C18 C 0.54081(15) 0.34577(14) 0.36460(14) 0.0259(5) Uani 1 1 d . . . . .
H18A H 0.516686 0.381577 0.406371 0.039 Uiso 1 1 calc R U . . .
H18B H 0.563740 0.375991 0.317573 0.039 Uiso 1 1 calc R U . . .
H18C H 0.588327 0.314993 0.389435 0.039 Uiso 1 1 calc R U . . .
C19 C 0.5141(2) 0.250000 0.60623(18) 0.0226(6) Uani 1 2 d S T P . .
C20 C 0.47356(14) 0.18211(14) 0.64264(13) 0.0216(4) Uani 1 1 d . . . . .
C21 C 0.40845(14) 0.20812(13) 0.70008(12) 0.0201(4) Uani 1 1 d . . . . .
C22 C 0.5978(2) 0.250000 0.5573(2) 0.0345(9) Uani 1 2 d S T P . .
C23 C 0.6772(2) 0.250000 0.6152(2) 0.0423(10) Uani 1 2 d S T P . .
H23A H 0.684312 0.302118 0.639721 0.064 Uiso 0.5 1 calc R U P . .
H23B H 0.729918 0.236430 0.583455 0.064 Uiso 0.5 1 calc R U P . .
H23C H 0.668257 0.211452 0.659529 0.064 Uiso 0.5 1 calc R U P . .
C24 C 0.50113(17) 0.09950(16) 0.62616(16) 0.0337(6) Uani 1 1 d . . . . .
H24A H 0.503800 0.090573 0.565990 0.051 Uiso 1 1 calc R U . . .
H24B H 0.458523 0.063516 0.651082 0.051 Uiso 1 1 calc R U . . .
H24C H 0.559111 0.090321 0.650607 0.051 Uiso 1 1 calc R U . . .
C25 C 0.35793(17) 0.15899(15) 0.76078(15) 0.0302(5) Uani 1 1 d . . . . .
H25A H 0.295296 0.171217 0.756321 0.045 Uiso 1 1 calc R U . . .
H25B H 0.378185 0.170163 0.817406 0.045 Uiso 1 1 calc R U . . .
H25C H 0.367295 0.103475 0.748266 0.045 Uiso 1 1 calc R U . . .
H1 H 0.3562(19) 0.3119(18) 0.4886(15) 0.025(7) Uiso 1 1 d . . . . .
H2 H 0.226(3) 0.250000 0.426(3) 0.062(16) Uiso 1 2 d S . P . .
H3 H 0.252(3) 0.250000 0.578(3) 0.048(13) Uiso 1 2 d S . P . .


_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 C2 2.189(2) . ?
Ru1 C5 2.194(2) . ?
Ru1 C4 2.195(2) . ?
Ru1 C3 2.198(2) . ?
Ru1 C1 2.203(2) . ?
Ru1 Ru1 2.7868(3) 7_565 ?
Ru1 Ru3 2.7883(3) . ?
Ru1 Ru2 2.7922(2) . ?
Ru1 H1 1.88(3) . ?
Ru1 H2 1.87(3) . ?
Ru1 H3 1.86(3) . ?
Ru2 C12 2.182(3) . ?
Ru2 C14 2.1951(19) . ?
Ru2 C14 2.1951(19) 7_565 ?
Ru2 C13 2.1971(19) . ?
Ru2 C13 2.1972(19) 7_565 ?
Ru2 Ru3 2.7941(3) . ?
Ru2 H1 1.75(3) . ?
Ru2 H2 1.99(5) . ?
Ru3 C19 2.182(3) . ?
Ru3 C20 2.190(2) . ?
Ru3 C20 2.190(2) 7_565 ?
Ru3 C21 2.1980(19) 7_565 ?
Ru3 C21 2.1980(19) . ?
Ru3 H1 1.77(3) . ?
Ru3 H3 1.88(5) . ?
C1 C5 1.435(3) . ?
C1 C2 1.439(3) . ?
C1 C6 1.490(4) . ?
C2 C3 1.419(3) . ?
C2 C8 1.497(3) . ?
C3 C4 1.431(3) . ?
C3 C9 1.502(3) . ?
C4 C5 1.424(3) . ?
C4 C10 1.507(3) . ?
C5 C11 1.493(3) . ?
C6 C7 1.544(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.428(3) . ?
C12 C13 1.428(3) 7_565 ?
C12 C15 1.512(4) . ?
C13 C14 1.442(3) . ?
C13 C17 1.493(3) . ?
C14 C14 1.424(4) 7_565 ?
C14 C18 1.503(3) . ?
C15 C16 1.534(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.439(3) 7_565 ?
C19 C20 1.439(3) . ?
C19 C22 1.498(4) . ?
C20 C21 1.426(3) . ?
C20 C24 1.496(3) . ?
C21 C21 1.431(4) 7_565 ?
C21 C25 1.500(3) . ?
C22 C23 1.526(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 H23A 0.98(2) 7_565 ?
C23 H23B 0.98(2) 7_565 ?
C23 H23C 0.98(4) 7_565 ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ru1 C5 63.78(8) . . ?
C2 Ru1 C4 63.62(8) . . ?
C5 Ru1 C4 37.86(9) . . ?
C2 Ru1 C3 37.73(9) . . ?
C5 Ru1 C3 63.42(8) . . ?
C4 Ru1 C3 38.03(9) . . ?
C2 Ru1 C1 38.26(8) . . ?
C5 Ru1 C1 38.10(8) . . ?
C4 Ru1 C1 63.59(8) . . ?
C3 Ru1 C1 63.44(8) . . ?
C2 Ru1 Ru1 129.80(6) . 7_565 ?
C5 Ru1 Ru1 123.09(6) . 7_565 ?
C4 Ru1 Ru1 155.17(6) . 7_565 ?
C3 Ru1 Ru1 164.99(6) . 7_565 ?
C1 Ru1 Ru1 112.22(6) . 7_565 ?
C2 Ru1 Ru3 166.89(6) . . ?
C5 Ru1 Ru3 120.51(6) . . ?
C4 Ru1 Ru3 111.29(6) . . ?
C3 Ru1 Ru3 130.80(6) . . ?
C1 Ru1 Ru3 152.42(6) . . ?
Ru1 Ru1 Ru3 60.017(4) 7_565 . ?
C2 Ru1 Ru2 114.88(6) . . ?
C5 Ru1 Ru2 176.82(6) . . ?
C4 Ru1 Ru2 139.05(6) . . ?
C3 Ru1 Ru2 113.66(6) . . ?
C1 Ru1 Ru2 142.54(6) . . ?
Ru1 Ru1 Ru2 60.062(4) 7_565 . ?
Ru3 Ru1 Ru2 60.091(7) . . ?
C2 Ru1 H1 129.5(8) . . ?
C5 Ru1 H1 140.3(8) . . ?
C4 Ru1 H1 108.2(9) . . ?
C3 Ru1 H1 103.5(9) . . ?
C1 Ru1 H1 166.7(9) . . ?
Ru1 Ru1 H1 79.7(9) 7_565 . ?
Ru3 Ru1 H1 38.6(8) . . ?
Ru2 Ru1 H1 38.0(8) . . ?
C2 Ru1 H2 96.2(13) . . ?
C5 Ru1 H2 136.9(16) . . ?
C4 Ru1 H2 159.7(13) . . ?
C3 Ru1 H2 123.7(12) . . ?
C1 Ru1 H2 102.5(16) . . ?
Ru1 Ru1 H2 41.7(12) 7_565 . ?
Ru3 Ru1 H2 87.9(14) . . ?
Ru2 Ru1 H2 45.4(16) . . ?
H1 Ru1 H2 82.3(18) . . ?
C2 Ru1 H3 150.8(15) . . ?
C5 Ru1 H3 97.1(13) . . ?
C4 Ru1 H3 115.5(11) . . ?
C3 Ru1 H3 153.3(11) . . ?
C1 Ru1 H3 113.3(15) . . ?
Ru1 Ru1 H3 41.4(11) 7_565 . ?
Ru3 Ru1 H3 42.0(15) . . ?
Ru2 Ru1 H3 85.2(13) . . ?
H1 Ru1 H3 79.4(17) . . ?
H2 Ru1 H3 83.0(18) . . ?
C12 Ru2 C14 63.78(9) . . ?
C12 Ru2 C14 63.78(9) . 7_565 ?
C14 Ru2 C14 37.86(11) . 7_565 ?
C12 Ru2 C13 38.07(7) . . ?
C14 Ru2 C13 38.33(7) . . ?
C14 Ru2 C13 63.82(7) 7_565 . ?
C12 Ru2 C13 38.07(7) . 7_565 ?
C14 Ru2 C13 63.82(7) . 7_565 ?
C14 Ru2 C13 38.33(7) 7_565 7_565 ?
C13 Ru2 C13 63.87(11) . 7_565 ?
C12 Ru2 Ru1 122.54(6) . 7_565 ?
C14 Ru2 Ru1 165.43(5) . 7_565 ?
C14 Ru2 Ru1 130.09(5) 7_565 7_565 ?
C13 Ru2 Ru1 154.52(6) . 7_565 ?
C13 Ru2 Ru1 112.01(6) 7_565 7_565 ?
C12 Ru2 Ru1 122.54(6) . . ?
C14 Ru2 Ru1 130.09(5) . . ?
C14 Ru2 Ru1 165.43(5) 7_565 . ?
C13 Ru2 Ru1 112.01(6) . . ?
C13 Ru2 Ru1 154.52(6) 7_565 . ?
Ru1 Ru2 Ru1 59.874(8) 7_565 . ?
C12 Ru2 Ru3 177.01(8) . . ?
C14 Ru2 Ru3 113.43(5) . . ?
C14 Ru2 Ru3 113.43(5) 7_565 . ?
C13 Ru2 Ru3 140.33(6) . . ?
C13 Ru2 Ru3 140.33(6) 7_565 . ?
Ru1 Ru2 Ru3 59.886(6) 7_565 . ?
Ru1 Ru2 Ru3 59.886(6) . . ?
C12 Ru2 H1 142.7(9) . . ?
C14 Ru2 H1 100.3(10) . . ?
C14 Ru2 H1 124.9(10) 7_565 . ?
C13 Ru2 H1 108.4(9) . . ?
C13 Ru2 H1 162.9(10) 7_565 . ?
Ru1 Ru2 H1 81.6(9) 7_565 . ?
Ru1 Ru2 H1 41.4(10) . . ?
Ru3 Ru2 H1 37.5(9) . . ?
C12 Ru2 H2 97.6(15) . . ?
C14 Ru2 H2 152.6(11) . . ?
C14 Ru2 H2 152.6(11) 7_565 . ?
C13 Ru2 H2 114.7(12) . . ?
C13 Ru2 H2 114.7(12) 7_565 . ?
Ru1 Ru2 H2 41.9(10) 7_565 . ?
Ru1 Ru2 H2 41.9(10) . . ?
Ru3 Ru2 H2 85.4(15) . . ?
H1 Ru2 H2 82.3(15) . . ?
C19 Ru3 C20 38.43(7) . . ?
C19 Ru3 C20 38.43(7) . 7_565 ?
C20 Ru3 C20 63.96(12) . 7_565 ?
C19 Ru3 C21 63.98(9) . 7_565 ?
C20 Ru3 C21 63.65(8) . 7_565 ?
C20 Ru3 C21 37.94(8) 7_565 7_565 ?
C19 Ru3 C21 63.98(9) . . ?
C20 Ru3 C21 37.94(8) . . ?
C20 Ru3 C21 63.65(8) 7_565 . ?
C21 Ru3 C21 38.00(11) 7_565 . ?
C19 Ru3 Ru1 146.72(3) . 7_565 ?
C20 Ru3 Ru1 117.64(6) . 7_565 ?
C20 Ru3 Ru1 173.35(6) 7_565 7_565 ?
C21 Ru3 Ru1 135.99(6) 7_565 7_565 ?
C21 Ru3 Ru1 113.19(6) . 7_565 ?
C19 Ru3 Ru1 146.72(3) . . ?
C20 Ru3 Ru1 173.35(6) . . ?
C20 Ru3 Ru1 117.64(6) 7_565 . ?
C21 Ru3 Ru1 113.19(6) 7_565 . ?
C21 Ru3 Ru1 135.99(6) . . ?
Ru1 Ru3 Ru1 59.965(8) 7_565 . ?
C19 Ru3 Ru2 110.07(8) . . ?
C20 Ru3 Ru2 125.06(6) . . ?
C20 Ru3 Ru2 125.06(6) 7_565 . ?
C21 Ru3 Ru2 159.60(6) 7_565 . ?
C21 Ru3 Ru2 159.60(6) . . ?
Ru1 Ru3 Ru2 60.022(6) 7_565 . ?
Ru1 Ru3 Ru2 60.023(6) . . ?
C19 Ru3 H1 109.8(10) . . ?
C20 Ru3 H1 145.0(10) . . ?
C20 Ru3 H1 100.6(10) 7_565 . ?
C21 Ru3 H1 124.1(9) 7_565 . ?
C21 Ru3 H1 162.1(9) . . ?
Ru1 Ru3 H1 81.5(10) 7_565 . ?
Ru1 Ru3 H1 41.6(9) . . ?
Ru2 Ru3 H1 37.1(9) . . ?
C19 Ru3 H3 165.1(14) . . ?
C20 Ru3 H3 132.3(10) . . ?
C20 Ru3 H3 132.3(10) 7_565 . ?
C21 Ru3 H3 102.0(13) 7_565 . ?
C21 Ru3 H3 102.0(13) . . ?
Ru1 Ru3 H3 41.4(9) 7_565 . ?
Ru1 Ru3 H3 41.4(9) . . ?
Ru2 Ru3 H3 84.8(14) . . ?
H1 Ru3 H3 81.9(15) . . ?
C5 C1 C2 107.3(2) . . ?
C5 C1 C6 125.4(2) . . ?
C2 C1 C6 126.1(2) . . ?
C5 C1 Ru1 70.58(12) . . ?
C2 C1 Ru1 70.34(12) . . ?
C6 C1 Ru1 133.84(17) . . ?
C3 C2 C1 108.13(19) . . ?
C3 C2 C8 127.0(2) . . ?
C1 C2 C8 124.7(2) . . ?
C3 C2 Ru1 71.48(12) . . ?
C1 C2 Ru1 71.40(12) . . ?
C8 C2 Ru1 127.24(16) . . ?
C2 C3 C4 108.34(19) . . ?
C2 C3 C9 127.7(2) . . ?
C4 C3 C9 123.5(2) . . ?
C2 C3 Ru1 70.78(12) . . ?
C4 C3 Ru1 70.85(12) . . ?
C9 C3 Ru1 130.75(17) . . ?
C5 C4 C3 107.89(19) . . ?
C5 C4 C10 127.7(2) . . ?
C3 C4 C10 123.5(2) . . ?
C5 C4 Ru1 71.01(12) . . ?
C3 C4 Ru1 71.12(11) . . ?
C10 C4 Ru1 132.25(17) . . ?
C4 C5 C1 108.30(19) . . ?
C4 C5 C11 126.2(2) . . ?
C1 C5 C11 125.3(2) . . ?
C4 C5 Ru1 71.12(12) . . ?
C1 C5 Ru1 71.32(12) . . ?
C11 C5 Ru1 127.15(16) . . ?
C1 C6 C7 111.5(2) . . ?
C1 C6 H6A 109.3 . . ?
C7 C6 H6A 109.3 . . ?
C1 C6 H6B 109.3 . . ?
C7 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.5 . . ?
C3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C5 C11 H11A 109.5 . . ?
C5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C13 108.9(3) . 7_565 ?
C13 C12 C15 125.35(13) . . ?
C13 C12 C15 125.35(13) 7_565 . ?
C13 C12 Ru2 71.53(13) . . ?
C13 C12 Ru2 71.53(13) 7_565 . ?
C15 C12 Ru2 128.6(2) . . ?
C12 C13 C14 107.35(19) . . ?
C12 C13 C17 126.8(2) . . ?
C14 C13 C17 124.8(2) . . ?
C12 C13 Ru2 70.41(13) . . ?
C14 C13 Ru2 70.76(11) . . ?
C17 C13 Ru2 133.42(15) . . ?
C14 C14 C13 108.19(12) 7_565 . ?
C14 C14 C18 127.94(13) 7_565 . ?
C13 C14 C18 123.59(19) . . ?
C14 C14 Ru2 71.07(5) 7_565 . ?
C13 C14 Ru2 70.91(11) . . ?
C18 C14 Ru2 128.44(14) . . ?
C12 C15 C16 110.3(3) . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C20 107.4(3) 7_565 . ?
C20 C19 C22 125.40(14) 7_565 . ?
C20 C19 C22 125.40(14) . . ?
C20 C19 Ru3 71.11(14) 7_565 . ?
C20 C19 Ru3 71.11(14) . . ?
C22 C19 Ru3 135.0(2) . . ?
C21 C20 C19 108.1(2) . . ?
C21 C20 C24 127.1(2) . . ?
C19 C20 C24 124.6(2) . . ?
C21 C20 Ru3 71.33(12) . . ?
C19 C20 Ru3 70.46(14) . . ?
C24 C20 Ru3 127.17(15) . . ?
C20 C21 C21 108.15(13) . 7_565 ?
C20 C21 C25 127.2(2) . . ?
C21 C21 C25 124.03(13) 7_565 . ?
C20 C21 Ru3 70.73(11) . . ?
C21 C21 Ru3 71.00(6) 7_565 . ?
C25 C21 Ru3 131.22(15) . . ?
C19 C22 C23 110.8(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C23 H23A 109.5(4) . 7_565 ?
H23A C23 H23A 130.6 . 7_565 ?
H23B C23 H23A 84.5 . 7_565 ?
H23C C23 H23A 27.4 . 7_565 ?
C22 C23 H23B 109.5(5) . 7_565 ?
H23A C23 H23B 84.5 . 7_565 ?
H23B C23 H23B 27.4 . 7_565 ?
H23C C23 H23B 130.6 . 7_565 ?
H23A C23 H23B 109.5 7_565 7_565 ?
C22 C23 H23C 109.5(9) . 7_565 ?
H23A C23 H23C 27.4 . 7_565 ?
H23B C23 H23C 130.6 . 7_565 ?
H23C C23 H23C 84.5 . 7_565 ?
H23A C23 H23C 109.5 7_565 7_565 ?
H23B C23 H23C 109.5 7_565 7_565 ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 -1.2(2) . . . . ?
C6 C1 C2 C3 167.0(2) . . . . ?
Ru1 C1 C2 C3 -62.43(15) . . . . ?
C5 C1 C2 C8 -175.8(2) . . . . ?
C6 C1 C2 C8 -7.6(4) . . . . ?
Ru1 C1 C2 C8 122.9(2) . . . . ?
C5 C1 C2 Ru1 61.24(15) . . . . ?
C6 C1 C2 Ru1 -130.5(2) . . . . ?
C1 C2 C3 C4 1.2(2) . . . . ?
C8 C2 C3 C4 175.6(2) . . . . ?
Ru1 C2 C3 C4 -61.22(14) . . . . ?
C1 C2 C3 C9 -170.5(2) . . . . ?
C8 C2 C3 C9 4.0(4) . . . . ?
Ru1 C2 C3 C9 127.2(2) . . . . ?
C1 C2 C3 Ru1 62.38(15) . . . . ?
C8 C2 C3 Ru1 -123.1(2) . . . . ?
C2 C3 C4 C5 -0.7(2) . . . . ?
C9 C3 C4 C5 171.4(2) . . . . ?
Ru1 C3 C4 C5 -61.85(15) . . . . ?
C2 C3 C4 C10 -170.1(2) . . . . ?
C9 C3 C4 C10 2.0(3) . . . . ?
Ru1 C3 C4 C10 128.7(2) . . . . ?
C2 C3 C4 Ru1 61.17(15) . . . . ?
C9 C3 C4 Ru1 -126.8(2) . . . . ?
C3 C4 C5 C1 -0.1(2) . . . . ?
C10 C4 C5 C1 168.8(2) . . . . ?
Ru1 C4 C5 C1 -61.99(15) . . . . ?
C3 C4 C5 C11 -175.4(2) . . . . ?
C10 C4 C5 C11 -6.5(4) . . . . ?
Ru1 C4 C5 C11 122.7(2) . . . . ?
C3 C4 C5 Ru1 61.92(14) . . . . ?
C10 C4 C5 Ru1 -129.2(2) . . . . ?
C2 C1 C5 C4 0.8(3) . . . . ?
C6 C1 C5 C4 -167.6(2) . . . . ?
Ru1 C1 C5 C4 61.86(15) . . . . ?
C2 C1 C5 C11 176.1(2) . . . . ?
C6 C1 C5 C11 7.8(4) . . . . ?
Ru1 C1 C5 C11 -122.8(2) . . . . ?
C2 C1 C5 Ru1 -61.09(15) . . . . ?
C6 C1 C5 Ru1 130.6(2) . . . . ?
C5 C1 C6 C7 84.5(3) . . . . ?
C2 C1 C6 C7 -81.7(3) . . . . ?
Ru1 C1 C6 C7 -178.74(17) . . . . ?
C13 C12 C13 C14 -0.7(3) 7_565 . . . ?
C15 C12 C13 C14 -173.9(2) . . . . ?
Ru2 C12 C13 C14 61.46(14) . . . . ?
C13 C12 C13 C17 167.73(15) 7_565 . . . ?
C15 C12 C13 C17 -5.5(4) . . . . ?
Ru2 C12 C13 C17 -130.1(2) . . . . ?
C13 C12 C13 Ru2 -62.12(19) 7_565 . . . ?
C15 C12 C13 Ru2 124.7(3) . . . . ?
C12 C13 C14 C14 0.40(18) . . . 7_565 ?
C17 C13 C14 C14 -168.28(17) . . . 7_565 ?
Ru2 C13 C14 C14 61.64(5) . . . 7_565 ?
C12 C13 C14 C18 174.7(2) . . . . ?
C17 C13 C14 C18 6.0(3) . . . . ?
Ru2 C13 C14 C18 -124.05(19) . . . . ?
C12 C13 C14 Ru2 -61.24(16) . . . . ?
C17 C13 C14 Ru2 130.1(2) . . . . ?
C13 C12 C15 C16 86.1(2) . . . . ?
C13 C12 C15 C16 -86.1(2) 7_565 . . . ?
Ru2 C12 C15 C16 180.000(0) . . . . ?
C20 C19 C20 C21 0.5(3) 7_565 . . . ?
C22 C19 C20 C21 166.0(2) . . . . ?
Ru3 C19 C20 C21 -61.72(14) . . . . ?
C20 C19 C20 C24 -175.51(14) 7_565 . . . ?
C22 C19 C20 C24 -10.0(4) . . . . ?
Ru3 C19 C20 C24 122.3(2) . . . . ?
C20 C19 C20 Ru3 62.22(19) 7_565 . . . ?
C22 C19 C20 Ru3 -132.3(3) . . . . ?
C19 C20 C21 C21 -0.31(19) . . . 7_565 ?
C24 C20 C21 C21 175.56(18) . . . 7_565 ?
Ru3 C20 C21 C21 -61.48(6) . . . 7_565 ?
C19 C20 C21 C25 -171.2(2) . . . . ?
C24 C20 C21 C25 4.7(3) . . . . ?
Ru3 C20 C21 C25 127.7(2) . . . . ?
C19 C20 C21 Ru3 61.17(16) . . . . ?
C24 C20 C21 Ru3 -123.0(2) . . . . ?
C20 C19 C22 C23 81.5(2) 7_565 . . . ?
C20 C19 C22 C23 -81.5(2) . . . . ?
Ru3 C19 C22 C23 180.000(1) . . . . ?

_refine_diff_density_max         0.717
_refine_diff_density_min         -0.603
_refine_diff_density_rms         0.102

####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1524828'
_audit_update_record             
;
2016-12-28 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C90 H114 B2 N2 O4 Ru4'
_chemical_formula_weight         1713.73

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'
O O 0.0106 0.0060 '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'
B B 0.0013 0.0007 '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                   23.6293(7)
_cell_length_b                   19.3197(6)
_cell_length_c                   17.7321(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.691(7)
_cell_angle_gamma                90
_cell_volume                     8055.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    79295
_cell_measurement_theta_min      3.029
_cell_measurement_theta_max      27.480

_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_F_000             3544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.429
_exptl_crystal_size_mid          0.397
_exptl_crystal_size_min          0.086
_exptl_absorpt_coefficient_mu    0.787
_shelx_estimated_absorpt_T_min   0.729
_shelx_estimated_absorpt_T_max   0.935
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.6736
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku Rotating Anode Ultrax18'
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10
_diffrn_reflns_number            77914
_diffrn_reflns_av_unetI/netI     0.0758
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.029
_diffrn_reflns_theta_max         27.480
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             18394
_reflns_number_gt                15395
_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       'RAPID AUTO (Rigaku, 2015)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2015)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2015)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0319P)²+10.4503P] 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     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.00035(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         18394
_refine_ls_number_parameters     974
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.0968
_refine_ls_wR_factor_gt          0.0917
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.003
_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
Ru01 Ru 0.72865(2) 0.63942(2) 0.76941(2) 0.01737(6) Uani 1 1 d . . . . .
Ru02 Ru 0.68166(2) 0.51538(2) 0.78549(2) 0.01783(6) Uani 1 1 d . . . . .
Ru03 Ru 0.79408(2) 0.51662(2) 0.71536(2) 0.02126(6) Uani 1 1 d . . . . .
Ru04 Ru 0.80096(2) 0.53642(2) 0.86530(2) 0.01890(6) Uani 1 1 d . . . . .
H1 H 0.6811(16) 0.582(2) 0.721(2) 0.045(10) Uiso 1 1 d . . . . .
H2 H 0.6861(13) 0.5935(17) 0.8265(17) 0.027(8) Uiso 1 1 d . . . . .
H3 H 0.8370(16) 0.559(2) 0.790(2) 0.047(11) Uiso 1 1 d . . . . .
H4 H 0.8025(16) 0.4734(19) 0.803(2) 0.046(11) Uiso 1 1 d . . . . .
H5 H 0.7709(19) 0.604(2) 0.705(2) 0.067(13) Uiso 1 1 d . . . . .
H6 H 0.7775(14) 0.6211(18) 0.8480(19) 0.034(9) Uiso 1 1 d . . . . .
H7 H 0.732(2) 0.485(3) 0.719(3) 0.077(15) Uiso 1 1 d . . . . .
H8 H 0.7305(15) 0.5002(18) 0.8571(19) 0.031(9) Uiso 1 1 d . . . . .
C1 C 0.66927(12) 0.72371(14) 0.73771(16) 0.0229(6) Uani 1 1 d . . . . .
C2 C 0.71316(12) 0.72208(14) 0.68690(16) 0.0254(6) Uani 1 1 d . . . . .
C3 C 0.76628(12) 0.73710(15) 0.72997(17) 0.0268(6) Uani 1 1 d . . . . .
C4 C 0.75548(12) 0.74790(14) 0.80671(17) 0.0264(6) Uani 1 1 d . . . . .
C5 C 0.69584(12) 0.73849(14) 0.81191(16) 0.0240(6) Uani 1 1 d . . . . .
C6 C 0.60682(12) 0.72239(16) 0.71418(18) 0.0290(6) Uani 1 1 d . . . . .
H6A H 0.598685 0.688457 0.673461 0.043 Uiso 1 1 calc R U . . .
H6B H 0.594327 0.768349 0.696016 0.043 Uiso 1 1 calc R U . . .
H6C H 0.586454 0.709491 0.757617 0.043 Uiso 1 1 calc R U . . .
C7 C 0.70213(15) 0.71564(19) 0.60237(17) 0.0368(7) Uani 1 1 d . . . . .
H7A H 0.671985 0.681510 0.589795 0.055 Uiso 1 1 calc R U . . .
H7B H 0.736973 0.700600 0.581452 0.055 Uiso 1 1 calc R U . . .
H7C H 0.690229 0.760606 0.580663 0.055 Uiso 1 1 calc R U . . .
C8 C 0.82325(14) 0.74906(18) 0.7006(2) 0.0394(8) Uani 1 1 d . . . . .
H8A H 0.822412 0.731063 0.648822 0.059 Uiso 1 1 calc R U . . .
H8B H 0.852893 0.725111 0.733283 0.059 Uiso 1 1 calc R U . . .
H8C H 0.831439 0.798789 0.700582 0.059 Uiso 1 1 calc R U . . .
C9 C 0.79754(15) 0.77519(17) 0.8672(2) 0.0410(8) Uani 1 1 d . . . . .
H9A H 0.784039 0.766453 0.916822 0.061 Uiso 1 1 calc R U . . .
H9B H 0.802161 0.825121 0.860210 0.061 Uiso 1 1 calc R U . . .
H9C H 0.834171 0.752020 0.864464 0.061 Uiso 1 1 calc R U . . .
C10 C 0.66628(14) 0.74851(17) 0.88192(18) 0.0341(7) Uani 1 1 d . . . . .
H10A H 0.632197 0.719360 0.879173 0.051 Uiso 1 1 calc R U . . .
H10B H 0.655329 0.797188 0.885972 0.051 Uiso 1 1 calc R U . . .
H10C H 0.691966 0.735532 0.926486 0.051 Uiso 1 1 calc R U . . .
C11 C 0.58989(13) 0.51389(19) 0.7871(3) 0.0596(14) Uani 1 1 d . . . . .
C12 C 0.61631(14) 0.47868(16) 0.8549(2) 0.0349(8) Uani 1 1 d . . . . .
C13 C 0.64323(12) 0.41879(14) 0.82836(17) 0.0246(6) Uani 1 1 d . . . . .
C14 C 0.63390(15) 0.41748(19) 0.74856(18) 0.0381(8) Uani 1 1 d . . . . .
C15 C 0.60301(16) 0.4751(2) 0.7227(2) 0.0502(11) Uani 1 1 d . . . . .
C16 C 0.54992(19) 0.5738(3) 0.7895(5) 0.135(4) Uani 1 1 d . . . . .
H16A H 0.556028 0.596463 0.839114 0.202 Uiso 1 1 calc R U . . .
H16B H 0.510614 0.557174 0.781281 0.202 Uiso 1 1 calc R U . . .
H16C H 0.556955 0.607024 0.749731 0.202 Uiso 1 1 calc R U . . .
C17 C 0.6074(2) 0.4973(3) 0.9341(3) 0.0800(19) Uani 1 1 d . . . . .
H17A H 0.613448 0.547128 0.941594 0.120 Uiso 1 1 calc R U . . .
H17B H 0.634368 0.471672 0.969196 0.120 Uiso 1 1 calc R U . . .
H17C H 0.568439 0.485447 0.943832 0.120 Uiso 1 1 calc R U . . .
C18 C 0.67074(16) 0.36243(18) 0.8765(3) 0.0481(10) Uani 1 1 d . . . . .
H18A H 0.673769 0.376665 0.929842 0.072 Uiso 1 1 calc R U . . .
H18B H 0.708810 0.353332 0.861398 0.072 Uiso 1 1 calc R U . . .
H18C H 0.647686 0.320286 0.870041 0.072 Uiso 1 1 calc R U . . .
C19 C 0.6508(3) 0.3560(3) 0.7020(3) 0.0796(18) Uani 1 1 d . . . . .
H19A H 0.688865 0.340216 0.721379 0.119 Uiso 1 1 calc R U . . .
H19B H 0.650859 0.369928 0.648848 0.119 Uiso 1 1 calc R U . . .
H19C H 0.623438 0.318313 0.705728 0.119 Uiso 1 1 calc R U . . .
C20 C 0.5813(3) 0.4907(3) 0.6419(3) 0.116(3) Uani 1 1 d . . . . .
H20A H 0.556127 0.531125 0.640498 0.173 Uiso 1 1 calc R U . . .
H20B H 0.560159 0.450737 0.619928 0.173 Uiso 1 1 calc R U . . .
H20C H 0.613476 0.500531 0.612704 0.173 Uiso 1 1 calc R U . . .
C21 C 0.78141(14) 0.47789(17) 0.59648(17) 0.0319(7) Uani 1 1 d . . . . .
C22 C 0.8131(2) 0.42833(19) 0.6471(2) 0.0634(15) Uani 1 1 d . . . . .
C23 C 0.86600(19) 0.4616(3) 0.6756(2) 0.0607(13) Uani 1 1 d . . . . .
C24 C 0.86645(15) 0.5264(3) 0.6456(2) 0.0504(11) Uani 1 1 d . . . . .
C25 C 0.81738(13) 0.53652(17) 0.59640(16) 0.0298(7) Uani 1 1 d . . . . .
C26 C 0.72787(19) 0.4670(3) 0.5469(2) 0.0678(15) Uani 1 1 d . . . . .
H26A H 0.703042 0.435597 0.571940 0.102 Uiso 1 1 calc R U . . .
H26B H 0.736563 0.446638 0.498750 0.102 Uiso 1 1 calc R U . . .
H26C H 0.708596 0.511477 0.537236 0.102 Uiso 1 1 calc R U . . .
C27 C 0.7961(4) 0.3544(2) 0.6574(3) 0.115(3) Uani 1 1 d . . . . .
H27A H 0.756184 0.348155 0.637551 0.173 Uiso 1 1 calc R U . . .
H27B H 0.800673 0.342696 0.711472 0.173 Uiso 1 1 calc R U . . .
H27C H 0.820167 0.324028 0.630004 0.173 Uiso 1 1 calc R U . . .
C28 C 0.9138(3) 0.4236(4) 0.7217(3) 0.130(3) Uani 1 1 d . . . . .
H28A H 0.898522 0.382458 0.744801 0.195 Uiso 1 1 calc R U . . .
H28B H 0.931170 0.454239 0.761548 0.195 Uiso 1 1 calc R U . . .
H28C H 0.942547 0.409657 0.688498 0.195 Uiso 1 1 calc R U . . .
C29 C 0.91561(19) 0.5784(4) 0.6561(3) 0.097(2) Uani 1 1 d . . . . .
H29A H 0.900351 0.625607 0.653572 0.146 Uiso 1 1 calc R U . . .
H29B H 0.940708 0.571879 0.615838 0.146 Uiso 1 1 calc R U . . .
H29C H 0.937202 0.570976 0.705500 0.146 Uiso 1 1 calc R U . . .
C30 C 0.8073(2) 0.5974(2) 0.5449(2) 0.0596(12) Uani 1 1 d . . . . .
H30A H 0.766474 0.602205 0.529825 0.089 Uiso 1 1 calc R U . . .
H30B H 0.827392 0.590577 0.499671 0.089 Uiso 1 1 calc R U . . .
H30C H 0.821512 0.639439 0.571352 0.089 Uiso 1 1 calc R U . . .
C31 C 0.79930(17) 0.50532(19) 0.98750(17) 0.0403(9) Uani 1 1 d . . . . .
C32 C 0.81495(13) 0.57567(17) 0.98437(15) 0.0291(6) Uani 1 1 d . . . . .
C33 C 0.86659(13) 0.57968(18) 0.94742(17) 0.0336(7) Uani 1 1 d . . . . .
C34 C 0.88196(16) 0.5105(2) 0.9287(2) 0.0451(9) Uani 1 1 d . . . . .
C35 C 0.8400(2) 0.46492(18) 0.9528(2) 0.0502(11) Uani 1 1 d . . . . .
C36 C 0.7520(3) 0.4777(3) 1.0291(2) 0.085(2) Uani 1 1 d . . . . .
H36A H 0.736990 0.435224 1.004377 0.127 Uiso 1 1 calc R U . . .
H36B H 0.721632 0.512278 1.028472 0.127 Uiso 1 1 calc R U . . .
H36C H 0.766464 0.467499 1.081629 0.127 Uiso 1 1 calc R U . . .
C37 C 0.78678(18) 0.6345(2) 1.01991(19) 0.0454(9) Uani 1 1 d . . . . .
H37A H 0.798863 0.678194 0.998434 0.068 Uiso 1 1 calc R U . . .
H37B H 0.797516 0.634244 1.074734 0.068 Uiso 1 1 calc R U . . .
H37C H 0.745417 0.629832 1.009975 0.068 Uiso 1 1 calc R U . . .
C38 C 0.90277(16) 0.6426(2) 0.9401(2) 0.0515(10) Uani 1 1 d . . . . .
H38A H 0.881817 0.683896 0.953290 0.077 Uiso 1 1 calc R U . . .
H38B H 0.912398 0.646523 0.887741 0.077 Uiso 1 1 calc R U . . .
H38C H 0.937769 0.638436 0.974374 0.077 Uiso 1 1 calc R U . . .
C39 C 0.9373(2) 0.4894(4) 0.9019(3) 0.095(2) Uani 1 1 d . . . . .
H39A H 0.946942 0.521066 0.862042 0.142 Uiso 1 1 calc R U . . .
H39B H 0.934063 0.442145 0.881781 0.142 Uiso 1 1 calc R U . . .
H39C H 0.967109 0.490965 0.944422 0.142 Uiso 1 1 calc R U . . .
C40 C 0.8406(3) 0.3872(2) 0.9491(3) 0.093(2) Uani 1 1 d . . . . .
H40A H 0.857772 0.372442 0.903658 0.139 Uiso 1 1 calc R U . . .
H40B H 0.801580 0.369640 0.947066 0.139 Uiso 1 1 calc R U . . .
H40C H 0.862930 0.368810 0.994244 0.139 Uiso 1 1 calc R U . . .
B1 B 0.13106(13) 0.50346(17) 0.69456(18) 0.0222(6) Uani 1 1 d . . . . .
C41 C 0.12006(12) 0.56216(15) 0.75818(15) 0.0219(5) Uani 1 1 d . . . . .
C42 C 0.06603(13) 0.57581(18) 0.7813(2) 0.0363(7) Uani 1 1 d . . . . .
H42 H 0.035339 0.546380 0.763635 0.044 Uiso 1 1 calc R U . . .
C43 C 0.05545(16) 0.6303(2) 0.8288(2) 0.0451(9) Uani 1 1 d . . . . .
H43 H 0.018077 0.637344 0.842746 0.054 Uiso 1 1 calc R U . . .
C44 C 0.09846(17) 0.67420(19) 0.8559(2) 0.0428(8) Uani 1 1 d . . . . .
H44 H 0.091374 0.711459 0.888679 0.051 Uiso 1 1 calc R U . . .
C45 C 0.15210(17) 0.66283(19) 0.8345(2) 0.0453(9) Uani 1 1 d . . . . .
H45 H 0.182447 0.692729 0.852226 0.054 Uiso 1 1 calc R U . . .
C46 C 0.16211(13) 0.60801(17) 0.78708(18) 0.0326(7) Uani 1 1 d . . . . .
H46 H 0.199675 0.601443 0.773649 0.039 Uiso 1 1 calc R U . . .
C47 C 0.09216(12) 0.43350(16) 0.70286(17) 0.0271(6) Uani 1 1 d . . . . .
C48 C 0.07544(14) 0.41072(18) 0.7726(2) 0.0370(7) Uani 1 1 d . . . . .
H48 H 0.083587 0.439256 0.815920 0.044 Uiso 1 1 calc R U . . .
C49 C 0.04744(16) 0.3482(2) 0.7809(3) 0.0516(10) Uani 1 1 d . . . . .
H49 H 0.036990 0.334716 0.829180 0.062 Uiso 1 1 calc R U . . .
C50 C 0.03491(15) 0.3057(2) 0.7187(3) 0.0537(11) Uani 1 1 d . . . . .
H50 H 0.015599 0.263094 0.723852 0.064 Uiso 1 1 calc R U . . .
C51 C 0.05076(14) 0.32584(18) 0.6487(3) 0.0463(9) Uani 1 1 d . . . . .
H51 H 0.042163 0.297056 0.605682 0.056 Uiso 1 1 calc R U . . .
C52 C 0.07916(13) 0.38799(17) 0.6415(2) 0.0354(7) Uani 1 1 d . . . . .
H52 H 0.090292 0.400346 0.593283 0.042 Uiso 1 1 calc R U . . .
C53 C 0.11455(13) 0.54328(16) 0.61382(16) 0.0267(6) Uani 1 1 d . . . . .
C54 C 0.05951(14) 0.54085(17) 0.57597(18) 0.0347(7) Uani 1 1 d . . . . .
H54 H 0.032386 0.510818 0.594873 0.042 Uiso 1 1 calc R U . . .
C55 C 0.04289(17) 0.58039(19) 0.5121(2) 0.0448(9) Uani 1 1 d . . . . .
H55 H 0.005028 0.577256 0.488647 0.054 Uiso 1 1 calc R U . . .
C56 C 0.08085(17) 0.6237(2) 0.48285(18) 0.0446(9) Uani 1 1 d . . . . .
H56 H 0.069638 0.650452 0.438935 0.053 Uiso 1 1 calc R U . . .
C57 C 0.13579(17) 0.6284(2) 0.5178(2) 0.0439(9) Uani 1 1 d . . . . .
H57 H 0.162577 0.658285 0.497907 0.053 Uiso 1 1 calc R U . . .
C58 C 0.15152(14) 0.58888(18) 0.58223(18) 0.0341(7) Uani 1 1 d . . . . .
H58 H 0.189240 0.593191 0.605831 0.041 Uiso 1 1 calc R U . . .
C59 C 0.19667(11) 0.47459(14) 0.70597(15) 0.0215(5) Uani 1 1 d . . . . .
C60 C 0.21903(13) 0.44966(18) 0.77647(17) 0.0309(7) Uani 1 1 d . . . . .
H60 H 0.196758 0.453843 0.817995 0.037 Uiso 1 1 calc R U . . .
C61 C 0.27241(13) 0.41894(19) 0.78894(18) 0.0349(7) Uani 1 1 d . . . . .
H61 H 0.285423 0.402006 0.837908 0.042 Uiso 1 1 calc R U . . .
C62 C 0.30665(12) 0.41296(17) 0.73016(18) 0.0302(6) Uani 1 1 d . . . . .
H62 H 0.343487 0.392996 0.738422 0.036 Uiso 1 1 calc R U . . .
C63 C 0.28599(13) 0.43664(17) 0.65950(17) 0.0307(7) Uani 1 1 d . . . . .
H63 H 0.308630 0.432651 0.618334 0.037 Uiso 1 1 calc R U . . .
C64 C 0.23204(13) 0.46646(16) 0.64794(16) 0.0276(6) Uani 1 1 d . . . . .
H64 H 0.218785 0.481902 0.598454 0.033 Uiso 1 1 calc R U . . .
B2 B 0.46741(14) 0.7429(2) 0.51744(18) 0.0294(7) Uani 1 1 d . . . . .
C65 C 0.44518(13) 0.69209(17) 0.58226(17) 0.0301(6) Uani 1 1 d . . . . .
C66 C 0.45085(13) 0.70402(17) 0.66063(17) 0.0311(7) Uani 1 1 d . . . . .
H66 H 0.469148 0.745338 0.679016 0.037 Uiso 1 1 calc R U . . .
C67 C 0.43112(16) 0.6586(2) 0.7128(2) 0.0426(8) Uani 1 1 d . . . . .
H67 H 0.435979 0.669365 0.765312 0.051 Uiso 1 1 calc R U . . .
C68 C 0.40426(19) 0.5975(2) 0.6883(2) 0.0529(10) Uani 1 1 d . . . . .
H68 H 0.390608 0.566203 0.723600 0.063 Uiso 1 1 calc R U . . .
C69 C 0.39785(18) 0.5833(2) 0.6123(2) 0.0530(10) Uani 1 1 d . . . . .
H69 H 0.379639 0.541651 0.594715 0.064 Uiso 1 1 calc R U . . .
C70 C 0.41757(16) 0.62874(19) 0.5611(2) 0.0439(9) Uani 1 1 d . . . . .
H70 H 0.412427 0.617095 0.508822 0.053 Uiso 1 1 calc R U . . .
C71 C 0.41360(14) 0.7835(2) 0.47080(17) 0.0389(8) Uani 1 1 d . . . . .
C72 C 0.35732(16) 0.7593(3) 0.4652(2) 0.0561(12) Uani 1 1 d . . . . .
H72 H 0.349122 0.718040 0.491042 0.067 Uiso 1 1 calc R U . . .
C73 C 0.3132(2) 0.7936(3) 0.4231(3) 0.0794(18) Uani 1 1 d . . . . .
H73 H 0.275760 0.775293 0.420534 0.095 Uiso 1 1 calc R U . . .
C74 C 0.3230(2) 0.8536(3) 0.3853(3) 0.086(2) Uani 1 1 d . . . . .
H74 H 0.292637 0.876595 0.356464 0.103 Uiso 1 1 calc R U . . .
C75 C 0.3776(2) 0.8805(3) 0.3895(2) 0.0720(16) Uani 1 1 d . . . . .
H75 H 0.384951 0.922348 0.364031 0.086 Uiso 1 1 calc R U . . .
C76 C 0.42207(18) 0.8451(2) 0.4318(2) 0.0499(10) Uani 1 1 d . . . . .
H76 H 0.459395 0.863775 0.434049 0.060 Uiso 1 1 calc R U . . .
C77 C 0.49985(13) 0.69390(17) 0.45863(16) 0.0287(6) Uani 1 1 d . . . . .
C78 C 0.49379(14) 0.70118(17) 0.37983(16) 0.0319(7) Uani 1 1 d . . . . .
H78 H 0.470072 0.737022 0.357823 0.038 Uiso 1 1 calc R U . . .
C79 C 0.52140(14) 0.65760(17) 0.33219(17) 0.0335(7) Uani 1 1 d . . . . .
H79 H 0.516190 0.664133 0.278856 0.040 Uiso 1 1 calc R U . . .
C80 C 0.55600(13) 0.60539(17) 0.36239(19) 0.0341(7) Uani 1 1 d . . . . .
H80 H 0.574250 0.575036 0.330289 0.041 Uiso 1 1 calc R U . . .
C81 C 0.56387(15) 0.59770(19) 0.4402(2) 0.0416(8) Uani 1 1 d . . . . .
H81 H 0.588188 0.562253 0.461803 0.050 Uiso 1 1 calc R U . . .
C82 C 0.53662(15) 0.64119(19) 0.48671(18) 0.0383(8) Uani 1 1 d . . . . .
H82 H 0.543141 0.635043 0.540023 0.046 Uiso 1 1 calc R U . . .
C83 C 0.51161(12) 0.80256(16) 0.55367(15) 0.0256(6) Uani 1 1 d . . . . .
C84 C 0.49449(13) 0.85340(16) 0.60341(17) 0.0301(6) Uani 1 1 d . . . . .
H84 H 0.456740 0.851521 0.617402 0.036 Uiso 1 1 calc R U . . .
C85 C 0.52978(15) 0.90617(18) 0.63317(19) 0.0372(7) Uani 1 1 d . . . . .
H85 H 0.516461 0.938571 0.667633 0.045 Uiso 1 1 calc R U . . .
C86 C 0.58468(15) 0.91124(19) 0.6122(2) 0.0418(8) Uani 1 1 d . . . . .
H86 H 0.609188 0.947382 0.631658 0.050 Uiso 1 1 calc R U . . .
C87 C 0.60306(14) 0.86332(19) 0.5630(2) 0.0393(8) Uani 1 1 d . . . . .
H87 H 0.640507 0.866608 0.548105 0.047 Uiso 1 1 calc R U . . .
C88 C 0.56747(13) 0.80986(18) 0.53446(17) 0.0322(7) Uani 1 1 d . . . . .
H88 H 0.581558 0.777237 0.500858 0.039 Uiso 1 1 calc R U . . .
C89 C 0.2890(2) 0.6827(3) 0.6716(3) 0.0747(14) Uani 1 1 d . . . . .
H89A H 0.322114 0.690141 0.643355 0.112 Uiso 1 1 calc R U . . .
H89B H 0.277086 0.634197 0.666815 0.112 Uiso 1 1 calc R U . . .
H89C H 0.299118 0.693807 0.725166 0.112 Uiso 1 1 calc R U . . .
N1 N 0.24242(17) 0.7274(2) 0.6409(3) 0.0653(10) Uani 1 1 d . . . . .
O1 O 0.23397(18) 0.7333(2) 0.5716(3) 0.0943(12) Uani 1 1 d . . . . .
O2 O 0.21550(18) 0.7572(2) 0.6847(3) 0.0996(14) Uani 1 1 d . . . . .
C90 C 1.0627(2) 0.7227(3) 0.6429(3) 0.0700(14) Uani 1 1 d . . . . .
H90A H 1.100290 0.731016 0.625862 0.105 Uiso 1 1 calc R U . . .
H90B H 1.057978 0.673132 0.652209 0.105 Uiso 1 1 calc R U . . .
H90C H 1.059138 0.748517 0.689735 0.105 Uiso 1 1 calc R U . . .
N2 N 1.0183(2) 0.7459(2) 0.5838(2) 0.0654(10) Uani 1 1 d . . . . .
O3 O 0.97305(19) 0.7200(2) 0.5807(3) 0.0997(14) Uani 1 1 d . . . . .
O40 O 1.0302(2) 0.7899(2) 0.5408(3) 0.1091(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
Ru01 C2 2.172(3) . ?
Ru01 C1 2.186(3) . ?
Ru01 C5 2.224(3) . ?
Ru01 C3 2.228(3) . ?
Ru01 C4 2.269(3) . ?
Ru01 Ru02 2.6684(3) . ?
Ru01 Ru04 3.0323(3) . ?
Ru01 Ru03 3.0382(3) . ?
Ru01 H1 1.74(4) . ?
Ru01 H2 1.74(3) . ?
Ru01 H5 1.73(4) . ?
Ru01 H6 1.75(3) . ?
Ru02 C11 2.172(3) . ?
Ru02 C12 2.186(3) . ?
Ru02 C15 2.211(3) . ?
Ru02 C13 2.241(3) . ?
Ru02 C14 2.266(3) . ?
Ru02 Ru03 3.0428(3) . ?
Ru02 Ru04 3.0535(3) . ?
Ru02 H1 1.72(4) . ?
Ru02 H2 1.67(3) . ?
Ru02 H7 1.86(5) . ?
Ru02 H8 1.66(3) . ?
Ru03 C22 2.164(3) . ?
Ru03 C23 2.180(3) . ?
Ru03 C24 2.216(3) . ?
Ru03 C21 2.229(3) . ?
Ru03 C25 2.265(3) . ?
Ru03 Ru04 2.6751(3) . ?
Ru03 H3 1.79(4) . ?
Ru03 H4 1.76(4) . ?
Ru03 H5 1.78(5) . ?
Ru03 H7 1.59(5) . ?
Ru04 C34 2.180(3) . ?
Ru04 C33 2.185(3) . ?
Ru04 C35 2.210(3) . ?
Ru04 C32 2.237(3) . ?
Ru04 C31 2.253(3) . ?
Ru04 H3 1.71(4) . ?
Ru04 H4 1.64(4) . ?
Ru04 H6 1.74(3) . ?
Ru04 H8 1.80(3) . ?
C1 C5 1.429(4) . ?
C1 C2 1.440(4) . ?
C1 C6 1.493(4) . ?
C2 C3 1.433(4) . ?
C2 C7 1.501(4) . ?
C3 C4 1.424(4) . ?
C3 C8 1.509(4) . ?
C4 C5 1.433(4) . ?
C4 C9 1.485(4) . ?
C5 C10 1.496(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C15 1.426(7) . ?
C11 C12 1.465(6) . ?
C11 C16 1.497(5) . ?
C12 C13 1.423(4) . ?
C12 C17 1.486(5) . ?
C13 C14 1.411(4) . ?
C13 C18 1.493(4) . ?
C14 C15 1.384(6) . ?
C14 C19 1.522(6) . ?
C15 C20 1.503(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C25 1.416(4) . ?
C21 C22 1.467(6) . ?
C21 C26 1.482(5) . ?
C22 C23 1.451(7) . ?
C22 C27 1.500(6) . ?
C23 C24 1.360(7) . ?
C23 C28 1.516(6) . ?
C24 C25 1.394(5) . ?
C24 C29 1.533(7) . ?
C25 C30 1.494(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.411(4) . ?
C31 C35 1.424(6) . ?
C31 C36 1.497(6) . ?
C32 C33 1.443(4) . ?
C32 C37 1.489(5) . ?
C33 C34 1.432(5) . ?
C33 C38 1.499(5) . ?
C34 C35 1.424(6) . ?
C34 C39 1.491(6) . ?
C35 C40 1.503(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
B1 C53 1.638(4) . ?
B1 C41 1.638(4) . ?
B1 C59 1.641(4) . ?
B1 C47 1.649(4) . ?
C41 C46 1.391(4) . ?
C41 C42 1.404(4) . ?
C42 C43 1.386(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.374(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.377(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.387(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.405(5) . ?
C47 C52 1.408(4) . ?
C48 C49 1.393(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.383(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.387(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.388(5) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C58 1.397(4) . ?
C53 C54 1.404(4) . ?
C54 C55 1.391(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.366(6) . ?
C55 H55 0.9500 . ?
C56 C57 1.385(5) . ?
C56 H56 0.9500 . ?
C57 C58 1.394(5) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.394(4) . ?
C59 C64 1.398(4) . ?
C60 C61 1.392(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.386(4) . ?
C61 H61 0.9500 . ?
C62 C63 1.377(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.395(4) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
B2 C65 1.637(5) . ?
B2 C83 1.643(5) . ?
B2 C71 1.646(5) . ?
B2 C77 1.652(4) . ?
C65 C66 1.402(4) . ?
C65 C70 1.420(5) . ?
C66 C67 1.388(5) . ?
C66 H66 0.9500 . ?
C67 C68 1.390(5) . ?
C67 H67 0.9500 . ?
C68 C69 1.369(6) . ?
C68 H68 0.9500 . ?
C69 C70 1.377(6) . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C71 C76 1.401(6) . ?
C71 C72 1.404(6) . ?
C72 C73 1.388(6) . ?
C72 H72 0.9500 . ?
C73 C74 1.370(9) . ?
C73 H73 0.9500 . ?
C74 C75 1.386(8) . ?
C74 H74 0.9500 . ?
C75 C76 1.406(5) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C82 1.398(4) . ?
C77 C78 1.398(4) . ?
C78 C79 1.399(4) . ?
C78 H78 0.9500 . ?
C79 C80 1.373(5) . ?
C79 H79 0.9500 . ?
C80 C81 1.381(5) . ?
C80 H80 0.9500 . ?
C81 C82 1.381(5) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 C88 1.402(4) . ?
C83 C84 1.406(4) . ?
C84 C85 1.388(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.388(5) . ?
C85 H85 0.9500 . ?
C86 C87 1.372(5) . ?
C86 H86 0.9500 . ?
C87 C88 1.395(5) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C89 N1 1.461(6) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
N1 O2 1.198(5) . ?
N1 O1 1.232(5) . ?
C90 N2 1.476(6) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
N2 O3 1.178(5) . ?
N2 O40 1.192(5) . ?

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 Ru01 C1 38.58(10) . . ?
C2 Ru01 C5 63.54(11) . . ?
C1 Ru01 C5 37.80(10) . . ?
C2 Ru01 C3 37.98(11) . . ?
C1 Ru01 C3 63.53(10) . . ?
C5 Ru01 C3 62.67(11) . . ?
C2 Ru01 C4 62.67(11) . . ?
C1 Ru01 C4 62.65(11) . . ?
C5 Ru01 C4 37.18(10) . . ?
C3 Ru01 C4 36.92(11) . . ?
C2 Ru01 Ru02 133.48(8) . . ?
C1 Ru01 Ru02 115.67(7) . . ?
C5 Ru01 Ru02 125.02(7) . . ?
C3 Ru01 Ru02 167.82(8) . . ?
C4 Ru01 Ru02 154.90(8) . . ?
C2 Ru01 Ru04 155.25(8) . . ?
C1 Ru01 Ru04 160.83(7) . . ?
C5 Ru01 Ru04 124.79(7) . . ?
C3 Ru01 Ru04 120.78(8) . . ?
C4 Ru01 Ru04 108.49(7) . . ?
Ru02 Ru01 Ru04 64.405(8) . . ?
C2 Ru01 Ru03 114.75(8) . . ?
C1 Ru01 Ru03 146.53(7) . . ?
C5 Ru01 Ru03 169.76(7) . . ?
C3 Ru01 Ru03 109.33(8) . . ?
C4 Ru01 Ru03 132.61(7) . . ?
Ru02 Ru01 Ru03 64.061(8) . . ?
Ru04 Ru01 Ru03 52.293(7) . . ?
C2 Ru01 H1 94.6(12) . . ?
C1 Ru01 H1 88.9(13) . . ?
C5 Ru01 H1 119.0(12) . . ?
C3 Ru01 H1 130.1(12) . . ?
C4 Ru01 H1 151.5(13) . . ?
Ru02 Ru01 H1 39.2(12) . . ?
Ru04 Ru01 H1 99.1(13) . . ?
Ru03 Ru01 H1 70.9(12) . . ?
C2 Ru01 H2 134.3(11) . . ?
C1 Ru01 H2 97.8(11) . . ?
C5 Ru01 H2 90.0(10) . . ?
C3 Ru01 H2 152.4(11) . . ?
C4 Ru01 H2 117.6(10) . . ?
Ru02 Ru01 H2 37.7(10) . . ?
Ru04 Ru01 H2 70.4(11) . . ?
Ru03 Ru01 H2 97.3(11) . . ?
H1 Ru01 H2 65.0(16) . . ?
C2 Ru01 H5 85.4(15) . . ?
C1 Ru01 H5 121.7(15) . . ?
C5 Ru01 H5 144.0(15) . . ?
C3 Ru01 H5 81.7(15) . . ?
C4 Ru01 H5 113.3(15) . . ?
Ru02 Ru01 H5 89.2(15) . . ?
Ru04 Ru01 H5 77.1(15) . . ?
Ru03 Ru01 H5 30.3(15) . . ?
H1 Ru01 H5 79.1(19) . . ?
H2 Ru01 H5 125.8(19) . . ?
C2 Ru01 H6 137.5(11) . . ?
C1 Ru01 H6 135.2(11) . . ?
C5 Ru01 H6 97.4(11) . . ?
C3 Ru01 H6 99.7(11) . . ?
C4 Ru01 H6 79.2(11) . . ?
Ru02 Ru01 H6 88.9(11) . . ?
Ru04 Ru01 H6 29.8(11) . . ?
Ru03 Ru01 H6 77.1(11) . . ?
H1 Ru01 H6 127.0(17) . . ?
H2 Ru01 H6 78.9(15) . . ?
H5 Ru01 H6 93.7(18) . . ?
C11 Ru02 C12 39.29(16) . . ?
C11 Ru02 C15 37.96(18) . . ?
C12 Ru02 C15 64.13(15) . . ?
C11 Ru02 C13 62.98(11) . . ?
C12 Ru02 C13 37.47(11) . . ?
C15 Ru02 C13 61.91(12) . . ?
C11 Ru02 C14 61.55(15) . . ?
C12 Ru02 C14 62.13(12) . . ?
C15 Ru02 C14 36.01(14) . . ?
C13 Ru02 C14 36.48(11) . . ?
C11 Ru02 Ru01 116.10(9) . . ?
C12 Ru02 Ru01 132.55(8) . . ?
C15 Ru02 Ru01 126.88(10) . . ?
C13 Ru02 Ru01 166.18(8) . . ?
C14 Ru02 Ru01 156.85(8) . . ?
C11 Ru02 Ru03 156.77(15) . . ?
C12 Ru02 Ru03 157.93(10) . . ?
C15 Ru02 Ru03 121.42(13) . . ?
C13 Ru02 Ru03 123.01(7) . . ?
C14 Ru02 Ru03 108.57(9) . . ?
Ru01 Ru02 Ru03 63.883(8) . . ?
C11 Ru02 Ru04 150.77(16) . . ?
C12 Ru02 Ru04 116.98(10) . . ?
C15 Ru02 Ru04 166.30(13) . . ?
C13 Ru02 Ru04 109.88(7) . . ?
C14 Ru02 Ru04 130.96(10) . . ?
Ru01 Ru02 Ru04 63.585(8) . . ?
Ru03 Ru02 Ru04 52.054(7) . . ?
C11 Ru02 H1 94.4(12) . . ?
C12 Ru02 H1 131.0(12) . . ?
C15 Ru02 H1 88.8(13) . . ?
C13 Ru02 H1 150.7(13) . . ?
C14 Ru02 H1 117.5(13) . . ?
Ru01 Ru02 H1 39.9(13) . . ?
Ru03 Ru02 H1 70.9(12) . . ?
Ru04 Ru02 H1 98.9(13) . . ?
C11 Ru02 H2 91.5(11) . . ?
C12 Ru02 H2 93.7(10) . . ?
C15 Ru02 H2 123.3(11) . . ?
C13 Ru02 H2 127.8(10) . . ?
C14 Ru02 H2 152.4(11) . . ?
Ru01 Ru02 H2 39.5(10) . . ?
Ru03 Ru02 H2 98.7(10) . . ?
Ru04 Ru02 H2 70.4(11) . . ?
H1 Ru02 H2 67.0(16) . . ?
C11 Ru02 H7 135.4(16) . . ?
C12 Ru02 H7 142.3(15) . . ?
C15 Ru02 H7 97.6(16) . . ?
C13 Ru02 H7 105.2(15) . . ?
C14 Ru02 H7 83.5(16) . . ?
Ru01 Ru02 H7 85.0(15) . . ?
Ru03 Ru02 H7 25.7(16) . . ?
Ru04 Ru02 H7 73.3(16) . . ?
H1 Ru02 H7 77.1(19) . . ?
H2 Ru02 H7 122.9(19) . . ?
C11 Ru02 H8 127.5(12) . . ?
C12 Ru02 H8 89.3(12) . . ?
C15 Ru02 H8 144.2(12) . . ?
C13 Ru02 H8 82.4(12) . . ?
C14 Ru02 H8 111.3(12) . . ?
Ru01 Ru02 H8 88.6(12) . . ?
Ru03 Ru02 H8 75.2(11) . . ?
Ru04 Ru02 H8 29.1(12) . . ?
H1 Ru02 H8 126.9(17) . . ?
H2 Ru02 H8 79.5(16) . . ?
H7 Ru02 H8 89(2) . . ?
C22 Ru03 C23 39.03(19) . . ?
C22 Ru03 C24 62.65(17) . . ?
C23 Ru03 C24 36.03(18) . . ?
C22 Ru03 C21 38.97(15) . . ?
C23 Ru03 C21 64.29(15) . . ?
C24 Ru03 C21 62.57(13) . . ?
C22 Ru03 C25 61.97(12) . . ?
C23 Ru03 C25 60.79(15) . . ?
C24 Ru03 C25 36.23(13) . . ?
C21 Ru03 C25 36.72(11) . . ?
C22 Ru03 Ru04 132.28(11) . . ?
C23 Ru03 Ru04 114.76(11) . . ?
C24 Ru03 Ru04 124.65(10) . . ?
C21 Ru03 Ru04 167.75(8) . . ?
C25 Ru03 Ru04 154.81(8) . . ?
C22 Ru03 Ru01 158.78(16) . . ?
C23 Ru03 Ru01 156.93(16) . . ?
C24 Ru03 Ru01 123.68(13) . . ?
C21 Ru03 Ru01 122.39(9) . . ?
C25 Ru03 Ru01 109.85(8) . . ?
Ru04 Ru03 Ru01 63.741(9) . . ?
C22 Ru03 Ru02 117.41(14) . . ?
C23 Ru03 Ru02 150.30(16) . . ?
C24 Ru03 Ru02 169.17(11) . . ?
C21 Ru03 Ru02 110.06(8) . . ?
C25 Ru03 Ru02 133.20(8) . . ?
Ru04 Ru03 Ru02 64.180(10) . . ?
Ru01 Ru03 Ru02 52.056(7) . . ?
C22 Ru03 H3 130.1(12) . . ?
C23 Ru03 H3 93.5(12) . . ?
C24 Ru03 H3 87.8(12) . . ?
C21 Ru03 H3 150.3(12) . . ?
C25 Ru03 H3 116.0(12) . . ?
Ru04 Ru03 H3 39.1(12) . . ?
Ru01 Ru03 H3 71.0(12) . . ?
Ru02 Ru03 H3 98.9(12) . . ?
C22 Ru03 H4 96.3(12) . . ?
C23 Ru03 H4 91.9(12) . . ?
C24 Ru03 H4 120.6(12) . . ?
C21 Ru03 H4 132.1(12) . . ?
C25 Ru03 H4 152.6(12) . . ?
Ru04 Ru03 H4 36.7(12) . . ?
Ru01 Ru03 H4 96.1(12) . . ?
Ru02 Ru03 H4 70.2(12) . . ?
H3 Ru03 H4 63.8(17) . . ?
C22 Ru03 H5 140.5(14) . . ?
C23 Ru03 H5 132.3(14) . . ?
C24 Ru03 H5 96.4(14) . . ?
C21 Ru03 H5 102.3(14) . . ?
C25 Ru03 H5 81.2(14) . . ?
Ru04 Ru03 H5 87.2(14) . . ?
Ru01 Ru03 H5 29.4(14) . . ?
Ru02 Ru03 H5 77.0(14) . . ?
H3 Ru03 H5 77.4(19) . . ?
H4 Ru03 H5 122.9(18) . . ?
C22 Ru03 H7 87.8(18) . . ?
C23 Ru03 H7 125.1(18) . . ?
C24 Ru03 H7 144.8(18) . . ?
C21 Ru03 H7 82.6(18) . . ?
C25 Ru03 H7 114.2(18) . . ?
Ru04 Ru03 H7 88.9(18) . . ?
Ru01 Ru03 H7 77.8(18) . . ?
Ru02 Ru03 H7 30.5(18) . . ?
H3 Ru03 H7 127(2) . . ?
H4 Ru03 H7 79(2) . . ?
H5 Ru03 H7 95(2) . . ?
C34 Ru04 C33 38.30(13) . . ?
C34 Ru04 C35 37.86(16) . . ?
C33 Ru04 C35 63.39(13) . . ?
C34 Ru04 C32 63.31(13) . . ?
C33 Ru04 C32 38.07(12) . . ?
C35 Ru04 C32 62.39(13) . . ?
C34 Ru04 C31 62.66(16) . . ?
C33 Ru04 C31 62.61(12) . . ?
C35 Ru04 C31 37.19(16) . . ?
C32 Ru04 C31 36.64(11) . . ?
C34 Ru04 Ru03 116.34(10) . . ?
C33 Ru04 Ru03 133.32(9) . . ?
C35 Ru04 Ru03 126.07(11) . . ?
C32 Ru04 Ru03 167.24(8) . . ?
C31 Ru04 Ru03 155.89(9) . . ?
C34 Ru04 Ru01 148.98(12) . . ?
C33 Ru04 Ru01 116.47(9) . . ?
C35 Ru04 Ru01 167.60(13) . . ?
C32 Ru04 Ru01 109.22(9) . . ?
C31 Ru04 Ru01 130.68(11) . . ?
Ru03 Ru04 Ru01 63.967(8) . . ?
C34 Ru04 Ru02 158.69(11) . . ?
C33 Ru04 Ru02 157.10(9) . . ?
C35 Ru04 Ru02 122.95(12) . . ?
C32 Ru04 Ru02 121.73(8) . . ?
C31 Ru04 Ru02 107.88(10) . . ?
Ru03 Ru04 Ru02 63.766(10) . . ?
Ru01 Ru04 Ru02 52.010(7) . . ?
C34 Ru04 H3 89.0(13) . . ?
C33 Ru04 H3 92.5(13) . . ?
C35 Ru04 H3 120.3(13) . . ?
C32 Ru04 H3 127.5(13) . . ?
C31 Ru04 H3 151.2(13) . . ?
Ru03 Ru04 H3 41.3(13) . . ?
Ru01 Ru04 H3 71.9(13) . . ?
Ru02 Ru04 H3 100.5(13) . . ?
C34 Ru04 H4 95.7(13) . . ?
C33 Ru04 H4 131.9(13) . . ?
C35 Ru04 H4 88.3(13) . . ?
C32 Ru04 H4 150.6(13) . . ?
C31 Ru04 H4 116.6(13) . . ?
Ru03 Ru04 H4 39.9(13) . . ?
Ru01 Ru04 H4 99.2(13) . . ?
Ru02 Ru04 H4 70.8(13) . . ?
H3 Ru04 H4 68.1(18) . . ?
C34 Ru04 H6 123.6(11) . . ?
C33 Ru04 H6 87.2(11) . . ?
C35 Ru04 H6 144.4(11) . . ?
C32 Ru04 H6 82.1(11) . . ?
C31 Ru04 H6 112.6(11) . . ?
Ru03 Ru04 H6 88.4(11) . . ?
Ru01 Ru04 H6 30.0(11) . . ?
Ru02 Ru04 H6 77.3(11) . . ?
H3 Ru04 H6 78.1(17) . . ?
H4 Ru04 H6 127.2(17) . . ?
C34 Ru04 H8 135.3(11) . . ?
C33 Ru04 H8 142.4(11) . . ?
C35 Ru04 H8 97.6(11) . . ?
C32 Ru04 H8 104.9(11) . . ?
C31 Ru04 H8 82.5(11) . . ?
Ru03 Ru04 H8 84.2(11) . . ?
Ru01 Ru04 H8 75.2(11) . . ?
Ru02 Ru04 H8 26.6(11) . . ?
H3 Ru04 H8 124.5(17) . . ?
H4 Ru04 H8 74.8(17) . . ?
H6 Ru04 H8 94.3(16) . . ?
C5 C1 C2 107.6(2) . . ?
C5 C1 C6 126.3(3) . . ?
C2 C1 C6 125.3(3) . . ?
C5 C1 Ru01 72.55(16) . . ?
C2 C1 Ru01 70.18(15) . . ?
C6 C1 Ru01 130.6(2) . . ?
C3 C2 C1 108.0(3) . . ?
C3 C2 C7 127.3(3) . . ?
C1 C2 C7 124.2(3) . . ?
C3 C2 Ru01 73.12(16) . . ?
C1 C2 Ru01 71.24(15) . . ?
C7 C2 Ru01 127.8(2) . . ?
C4 C3 C2 108.0(2) . . ?
C4 C3 C8 123.9(3) . . ?
C2 C3 C8 127.7(3) . . ?
C4 C3 Ru01 73.11(16) . . ?
C2 C3 Ru01 68.91(15) . . ?
C8 C3 Ru01 129.5(2) . . ?
C3 C4 C5 108.3(3) . . ?
C3 C4 C9 124.9(3) . . ?
C5 C4 C9 126.2(3) . . ?
C3 C4 Ru01 69.97(16) . . ?
C5 C4 Ru01 69.72(16) . . ?
C9 C4 Ru01 133.3(2) . . ?
C1 C5 C4 108.1(3) . . ?
C1 C5 C10 126.2(3) . . ?
C4 C5 C10 125.4(3) . . ?
C1 C5 Ru01 69.65(15) . . ?
C4 C5 Ru01 73.10(16) . . ?
C10 C5 Ru01 126.8(2) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 107.7(3) . . ?
C15 C11 C16 128.1(5) . . ?
C12 C11 C16 123.7(6) . . ?
C15 C11 Ru02 72.5(2) . . ?
C12 C11 Ru02 70.88(17) . . ?
C16 C11 Ru02 128.6(3) . . ?
C13 C12 C11 106.0(3) . . ?
C13 C12 C17 128.3(4) . . ?
C11 C12 C17 125.0(4) . . ?
C13 C12 Ru02 73.37(16) . . ?
C11 C12 Ru02 69.84(17) . . ?
C17 C12 Ru02 128.9(3) . . ?
C14 C13 C12 108.4(3) . . ?
C14 C13 C18 125.2(3) . . ?
C12 C13 C18 126.0(3) . . ?
C14 C13 Ru02 72.72(17) . . ?
C12 C13 Ru02 69.16(15) . . ?
C18 C13 Ru02 129.3(2) . . ?
C15 C14 C13 110.0(3) . . ?
C15 C14 C19 127.3(4) . . ?
C13 C14 C19 122.4(4) . . ?
C15 C14 Ru02 69.8(2) . . ?
C13 C14 Ru02 70.80(16) . . ?
C19 C14 Ru02 131.2(3) . . ?
C14 C15 C11 107.9(3) . . ?
C14 C15 C20 126.6(5) . . ?
C11 C15 C20 125.3(5) . . ?
C14 C15 Ru02 74.16(19) . . ?
C11 C15 Ru02 69.5(2) . . ?
C20 C15 Ru02 126.8(3) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C25 C21 C22 104.6(3) . . ?
C25 C21 C26 126.2(4) . . ?
C22 C21 C26 128.6(4) . . ?
C25 C21 Ru03 73.03(17) . . ?
C22 C21 Ru03 68.12(18) . . ?
C26 C21 Ru03 129.4(2) . . ?
C23 C22 C21 107.1(3) . . ?
C23 C22 C27 127.7(5) . . ?
C21 C22 C27 124.7(5) . . ?
C23 C22 Ru03 71.1(2) . . ?
C21 C22 Ru03 72.91(18) . . ?
C27 C22 Ru03 127.5(3) . . ?
C24 C23 C22 108.2(4) . . ?
C24 C23 C28 128.5(6) . . ?
C22 C23 C28 122.9(6) . . ?
C24 C23 Ru03 73.4(2) . . ?
C22 C23 Ru03 69.9(2) . . ?
C28 C23 Ru03 128.6(3) . . ?
C23 C24 C25 109.6(4) . . ?
C23 C24 C29 126.2(5) . . ?
C25 C24 C29 123.9(5) . . ?
C23 C24 Ru03 70.5(2) . . ?
C25 C24 Ru03 73.81(18) . . ?
C29 C24 Ru03 127.3(3) . . ?
C24 C25 C21 110.4(3) . . ?
C24 C25 C30 124.4(4) . . ?
C21 C25 C30 124.9(3) . . ?
C24 C25 Ru03 69.96(18) . . ?
C21 C25 Ru03 70.25(16) . . ?
C30 C25 Ru03 131.6(2) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C35 108.7(3) . . ?
C32 C31 C36 125.0(4) . . ?
C35 C31 C36 125.9(4) . . ?
C32 C31 Ru04 71.07(16) . . ?
C35 C31 Ru04 69.76(18) . . ?
C36 C31 Ru04 130.8(3) . . ?
C31 C32 C33 107.8(3) . . ?
C31 C32 C37 126.1(3) . . ?
C33 C32 C37 125.8(3) . . ?
C31 C32 Ru04 72.29(17) . . ?
C33 C32 Ru04 69.03(16) . . ?
C37 C32 Ru04 128.9(2) . . ?
C34 C33 C32 107.5(3) . . ?
C34 C33 C38 125.2(3) . . ?
C32 C33 C38 126.7(3) . . ?
C34 C33 Ru04 70.64(18) . . ?
C32 C33 Ru04 72.90(16) . . ?
C38 C33 Ru04 128.7(2) . . ?
C35 C34 C33 107.9(3) . . ?
C35 C34 C39 125.8(4) . . ?
C33 C34 C39 125.5(4) . . ?
C35 C34 Ru04 72.2(2) . . ?
C33 C34 Ru04 71.06(18) . . ?
C39 C34 Ru04 130.6(3) . . ?
C31 C35 C34 108.1(3) . . ?
C31 C35 C40 125.2(5) . . ?
C34 C35 C40 126.5(5) . . ?
C31 C35 Ru04 73.05(19) . . ?
C34 C35 Ru04 69.93(19) . . ?
C40 C35 Ru04 126.8(3) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C53 B1 C41 103.7(2) . . ?
C53 B1 C59 114.1(2) . . ?
C41 B1 C59 111.3(2) . . ?
C53 B1 C47 112.1(2) . . ?
C41 B1 C47 112.2(2) . . ?
C59 B1 C47 103.8(2) . . ?
C46 C41 C42 114.2(3) . . ?
C46 C41 B1 122.6(2) . . ?
C42 C41 B1 122.8(3) . . ?
C43 C42 C41 123.0(3) . . ?
C43 C42 H42 118.5 . . ?
C41 C42 H42 118.5 . . ?
C44 C43 C42 120.7(3) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 118.3(3) . . ?
C43 C44 H44 120.8 . . ?
C45 C44 H44 120.8 . . ?
C44 C45 C46 120.4(3) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C45 C46 C41 123.4(3) . . ?
C45 C46 H46 118.3 . . ?
C41 C46 H46 118.3 . . ?
C48 C47 C52 115.1(3) . . ?
C48 C47 B1 122.9(3) . . ?
C52 C47 B1 121.6(3) . . ?
C49 C48 C47 122.9(4) . . ?
C49 C48 H48 118.5 . . ?
C47 C48 H48 118.5 . . ?
C50 C49 C48 119.7(4) . . ?
C50 C49 H49 120.1 . . ?
C48 C49 H49 120.1 . . ?
C49 C50 C51 119.5(3) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 H50 120.3 . . ?
C50 C51 C52 120.1(4) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C47 122.6(3) . . ?
C51 C52 H52 118.7 . . ?
C47 C52 H52 118.7 . . ?
C58 C53 C54 114.6(3) . . ?
C58 C53 B1 122.9(3) . . ?
C54 C53 B1 122.1(3) . . ?
C55 C54 C53 123.0(3) . . ?
C55 C54 H54 118.5 . . ?
C53 C54 H54 118.5 . . ?
C56 C55 C54 120.2(3) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C55 C56 C57 119.5(3) . . ?
C55 C56 H56 120.3 . . ?
C57 C56 H56 120.3 . . ?
C56 C57 C58 119.5(3) . . ?
C56 C57 H57 120.2 . . ?
C58 C57 H57 120.2 . . ?
C57 C58 C53 123.2(3) . . ?
C57 C58 H58 118.4 . . ?
C53 C58 H58 118.4 . . ?
C60 C59 C64 114.9(3) . . ?
C60 C59 B1 119.8(2) . . ?
C64 C59 B1 125.0(2) . . ?
C61 C60 C59 123.2(3) . . ?
C61 C60 H60 118.4 . . ?
C59 C60 H60 118.4 . . ?
C62 C61 C60 120.2(3) . . ?
C62 C61 H61 119.9 . . ?
C60 C61 H61 119.9 . . ?
C63 C62 C61 118.4(3) . . ?
C63 C62 H62 120.8 . . ?
C61 C62 H62 120.8 . . ?
C62 C63 C64 120.5(3) . . ?
C62 C63 H63 119.8 . . ?
C64 C63 H63 119.8 . . ?
C63 C64 C59 122.9(3) . . ?
C63 C64 H64 118.6 . . ?
C59 C64 H64 118.6 . . ?
C65 B2 C83 112.5(2) . . ?
C65 B2 C71 110.7(3) . . ?
C83 B2 C71 106.9(3) . . ?
C65 B2 C77 107.5(3) . . ?
C83 B2 C77 109.4(2) . . ?
C71 B2 C77 109.9(2) . . ?
C66 C65 C70 113.6(3) . . ?
C66 C65 B2 126.3(3) . . ?
C70 C65 B2 120.2(3) . . ?
C67 C66 C65 123.4(3) . . ?
C67 C66 H66 118.3 . . ?
C65 C66 H66 118.3 . . ?
C66 C67 C68 120.1(3) . . ?
C66 C67 H67 119.9 . . ?
C68 C67 H67 119.9 . . ?
C69 C68 C67 118.8(4) . . ?
C69 C68 H68 120.6 . . ?
C67 C68 H68 120.6 . . ?
C68 C69 C70 120.6(4) . . ?
C68 C69 H69 119.7 . . ?
C70 C69 H69 119.7 . . ?
C69 C70 C65 123.5(3) . . ?
C69 C70 H70 118.2 . . ?
C65 C70 H70 118.2 . . ?
C76 C71 C72 115.3(4) . . ?
C76 C71 B2 120.8(3) . . ?
C72 C71 B2 123.8(4) . . ?
C73 C72 C71 122.4(5) . . ?
C73 C72 H72 118.8 . . ?
C71 C72 H72 118.8 . . ?
C74 C73 C72 120.8(5) . . ?
C74 C73 H73 119.6 . . ?
C72 C73 H73 119.6 . . ?
C73 C74 C75 119.6(4) . . ?
C73 C74 H74 120.2 . . ?
C75 C74 H74 120.2 . . ?
C74 C75 C76 119.2(5) . . ?
C74 C75 H75 120.4 . . ?
C76 C75 H75 120.4 . . ?
C71 C76 C75 122.8(5) . . ?
C71 C76 H76 118.6 . . ?
C75 C76 H76 118.6 . . ?
C82 C77 C78 115.3(3) . . ?
C82 C77 B2 120.2(3) . . ?
C78 C77 B2 124.4(3) . . ?
C77 C78 C79 122.4(3) . . ?
C77 C78 H78 118.8 . . ?
C79 C78 H78 118.8 . . ?
C80 C79 C78 120.1(3) . . ?
C80 C79 H79 119.9 . . ?
C78 C79 H79 119.9 . . ?
C79 C80 C81 119.0(3) . . ?
C79 C80 H80 120.5 . . ?
C81 C80 H80 120.5 . . ?
C82 C81 C80 120.4(3) . . ?
C82 C81 H81 119.8 . . ?
C80 C81 H81 119.8 . . ?
C81 C82 C77 122.7(3) . . ?
C81 C82 H82 118.6 . . ?
C77 C82 H82 118.6 . . ?
C88 C83 C84 114.7(3) . . ?
C88 C83 B2 123.6(3) . . ?
C84 C83 B2 121.6(3) . . ?
C85 C84 C83 123.5(3) . . ?
C85 C84 H84 118.2 . . ?
C83 C84 H84 118.2 . . ?
C84 C85 C86 119.5(3) . . ?
C84 C85 H85 120.3 . . ?
C86 C85 H85 120.3 . . ?
C87 C86 C85 119.1(3) . . ?
C87 C86 H86 120.5 . . ?
C85 C86 H86 120.5 . . ?
C86 C87 C88 120.8(3) . . ?
C86 C87 H87 119.6 . . ?
C88 C87 H87 119.6 . . ?
C87 C88 C83 122.3(3) . . ?
C87 C88 H88 118.8 . . ?
C83 C88 H88 118.8 . . ?
N1 C89 H89A 109.5 . . ?
N1 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
N1 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O2 N1 O1 123.9(5) . . ?
O2 N1 C89 118.2(5) . . ?
O1 N1 C89 117.9(5) . . ?
N2 C90 H90A 109.5 . . ?
N2 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
N2 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
O3 N2 O40 122.9(5) . . ?
O3 N2 C90 118.7(5) . . ?
O40 N2 C90 118.4(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 -1.0(3) . . . . ?
C6 C1 C2 C3 169.4(3) . . . . ?
Ru01 C1 C2 C3 -64.34(19) . . . . ?
C5 C1 C2 C7 -173.2(3) . . . . ?
C6 C1 C2 C7 -2.8(4) . . . . ?
Ru01 C1 C2 C7 123.5(3) . . . . ?
C5 C1 C2 Ru01 63.33(19) . . . . ?
C6 C1 C2 Ru01 -126.3(3) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C7 C2 C3 C4 171.9(3) . . . . ?
Ru01 C2 C3 C4 -63.1(2) . . . . ?
C1 C2 C3 C8 -172.6(3) . . . . ?
C7 C2 C3 C8 -0.7(5) . . . . ?
Ru01 C2 C3 C8 124.3(3) . . . . ?
C1 C2 C3 Ru01 63.12(18) . . . . ?
C7 C2 C3 Ru01 -125.0(3) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C8 C3 C4 C5 174.0(3) . . . . ?
Ru01 C3 C4 C5 -59.42(19) . . . . ?
C2 C3 C4 C9 -170.1(3) . . . . ?
C8 C3 C4 C9 2.9(5) . . . . ?
Ru01 C3 C4 C9 129.5(3) . . . . ?
C2 C3 C4 Ru01 60.41(19) . . . . ?
C8 C3 C4 Ru01 -126.6(3) . . . . ?
C2 C1 C5 C4 1.6(3) . . . . ?
C6 C1 C5 C4 -168.6(3) . . . . ?
Ru01 C1 C5 C4 63.41(19) . . . . ?
C2 C1 C5 C10 176.8(3) . . . . ?
C6 C1 C5 C10 6.6(5) . . . . ?
Ru01 C1 C5 C10 -121.4(3) . . . . ?
C2 C1 C5 Ru01 -61.80(18) . . . . ?
C6 C1 C5 Ru01 127.9(3) . . . . ?
C3 C4 C5 C1 -1.6(3) . . . . ?
C9 C4 C5 C1 169.3(3) . . . . ?
Ru01 C4 C5 C1 -61.19(19) . . . . ?
C3 C4 C5 C10 -176.9(3) . . . . ?
C9 C4 C5 C10 -5.9(5) . . . . ?
Ru01 C4 C5 C10 123.6(3) . . . . ?
C3 C4 C5 Ru01 59.6(2) . . . . ?
C9 C4 C5 Ru01 -129.5(3) . . . . ?
C15 C11 C12 C13 -1.4(3) . . . . ?
C16 C11 C12 C13 170.8(3) . . . . ?
Ru02 C11 C12 C13 -65.0(2) . . . . ?
C15 C11 C12 C17 -172.4(3) . . . . ?
C16 C11 C12 C17 -0.2(5) . . . . ?
Ru02 C11 C12 C17 124.0(3) . . . . ?
C15 C11 C12 Ru02 63.6(2) . . . . ?
C16 C11 C12 Ru02 -124.2(4) . . . . ?
C11 C12 C13 C14 0.1(3) . . . . ?
C17 C12 C13 C14 170.7(3) . . . . ?
Ru02 C12 C13 C14 -62.5(2) . . . . ?
C11 C12 C13 C18 -173.2(3) . . . . ?
C17 C12 C13 C18 -2.7(5) . . . . ?
Ru02 C12 C13 C18 124.2(3) . . . . ?
C11 C12 C13 Ru02 62.64(19) . . . . ?
C17 C12 C13 Ru02 -126.8(4) . . . . ?
C12 C13 C14 C15 1.3(3) . . . . ?
C18 C13 C14 C15 174.7(3) . . . . ?
Ru02 C13 C14 C15 -59.0(2) . . . . ?
C12 C13 C14 C19 -172.5(3) . . . . ?
C18 C13 C14 C19 0.9(5) . . . . ?
Ru02 C13 C14 C19 127.2(3) . . . . ?
C12 C13 C14 Ru02 60.3(2) . . . . ?
C18 C13 C14 Ru02 -126.3(3) . . . . ?
C13 C14 C15 C11 -2.2(4) . . . . ?
C19 C14 C15 C11 171.2(3) . . . . ?
Ru02 C14 C15 C11 -61.7(2) . . . . ?
C13 C14 C15 C20 -176.0(3) . . . . ?
C19 C14 C15 C20 -2.6(6) . . . . ?
Ru02 C14 C15 C20 124.4(4) . . . . ?
C13 C14 C15 Ru02 59.6(2) . . . . ?
C19 C14 C15 Ru02 -127.0(4) . . . . ?
C12 C11 C15 C14 2.2(4) . . . . ?
C16 C11 C15 C14 -169.5(3) . . . . ?
Ru02 C11 C15 C14 64.8(2) . . . . ?
C12 C11 C15 C20 176.1(3) . . . . ?
C16 C11 C15 C20 4.4(6) . . . . ?
Ru02 C11 C15 C20 -121.3(4) . . . . ?
C12 C11 C15 Ru02 -62.5(2) . . . . ?
C16 C11 C15 Ru02 125.7(4) . . . . ?
C25 C21 C22 C23 1.2(3) . . . . ?
C26 C21 C22 C23 172.9(3) . . . . ?
Ru03 C21 C22 C23 -63.3(2) . . . . ?
C25 C21 C22 C27 -171.2(3) . . . . ?
C26 C21 C22 C27 0.5(5) . . . . ?
Ru03 C21 C22 C27 124.2(4) . . . . ?
C25 C21 C22 Ru03 64.5(2) . . . . ?
C26 C21 C22 Ru03 -123.7(3) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C27 C22 C23 C24 172.8(3) . . . . ?
Ru03 C22 C23 C24 -63.9(3) . . . . ?
C21 C22 C23 C28 -171.8(3) . . . . ?
C27 C22 C23 C28 0.4(6) . . . . ?
Ru03 C22 C23 C28 123.7(4) . . . . ?
C21 C22 C23 Ru03 64.5(2) . . . . ?
C27 C22 C23 Ru03 -123.3(4) . . . . ?
C22 C23 C24 C25 -2.3(4) . . . . ?
C28 C23 C24 C25 169.6(4) . . . . ?
Ru03 C23 C24 C25 -63.9(2) . . . . ?
C22 C23 C24 C29 -175.9(4) . . . . ?
C28 C23 C24 C29 -4.0(7) . . . . ?
Ru03 C23 C24 C29 122.5(4) . . . . ?
C22 C23 C24 Ru03 61.6(2) . . . . ?
C28 C23 C24 Ru03 -126.5(4) . . . . ?
C23 C24 C25 C21 3.2(4) . . . . ?
C29 C24 C25 C21 176.9(3) . . . . ?
Ru03 C24 C25 C21 -58.7(2) . . . . ?
C23 C24 C25 C30 -170.7(3) . . . . ?
C29 C24 C25 C30 3.0(5) . . . . ?
Ru03 C24 C25 C30 127.4(3) . . . . ?
C23 C24 C25 Ru03 61.9(2) . . . . ?
C29 C24 C25 Ru03 -124.4(4) . . . . ?
C22 C21 C25 C24 -2.6(3) . . . . ?
C26 C21 C25 C24 -174.6(3) . . . . ?
Ru03 C21 C25 C24 58.5(2) . . . . ?
C22 C21 C25 C30 171.2(3) . . . . ?
C26 C21 C25 C30 -0.8(5) . . . . ?
Ru03 C21 C25 C30 -127.6(3) . . . . ?
C22 C21 C25 Ru03 -61.15(19) . . . . ?
C26 C21 C25 Ru03 126.8(3) . . . . ?
C35 C31 C32 C33 -0.3(3) . . . . ?
C36 C31 C32 C33 172.7(3) . . . . ?
Ru04 C31 C32 C33 -60.2(2) . . . . ?
C35 C31 C32 C37 -174.5(3) . . . . ?
C36 C31 C32 C37 -1.5(5) . . . . ?
Ru04 C31 C32 C37 125.7(3) . . . . ?
C35 C31 C32 Ru04 59.9(2) . . . . ?
C36 C31 C32 Ru04 -127.2(4) . . . . ?
C31 C32 C33 C34 -0.3(3) . . . . ?
C37 C32 C33 C34 173.9(3) . . . . ?
Ru04 C32 C33 C34 -62.6(2) . . . . ?
C31 C32 C33 C38 -171.8(3) . . . . ?
C37 C32 C33 C38 2.4(5) . . . . ?
Ru04 C32 C33 C38 125.9(3) . . . . ?
C31 C32 C33 Ru04 62.3(2) . . . . ?
C37 C32 C33 Ru04 -123.6(3) . . . . ?
C32 C33 C34 C35 0.8(3) . . . . ?
C38 C33 C34 C35 172.5(3) . . . . ?
Ru04 C33 C34 C35 -63.2(2) . . . . ?
C32 C33 C34 C39 -169.0(4) . . . . ?
C38 C33 C34 C39 2.6(6) . . . . ?
Ru04 C33 C34 C39 126.9(4) . . . . ?
C32 C33 C34 Ru04 64.1(2) . . . . ?
C38 C33 C34 Ru04 -124.3(3) . . . . ?
C32 C31 C35 C34 0.8(4) . . . . ?
C36 C31 C35 C34 -172.1(3) . . . . ?
Ru04 C31 C35 C34 61.5(2) . . . . ?
C32 C31 C35 C40 175.8(3) . . . . ?
C36 C31 C35 C40 2.9(6) . . . . ?
Ru04 C31 C35 C40 -123.5(4) . . . . ?
C32 C31 C35 Ru04 -60.7(2) . . . . ?
C36 C31 C35 Ru04 126.4(4) . . . . ?
C33 C34 C35 C31 -1.0(4) . . . . ?
C39 C34 C35 C31 168.8(4) . . . . ?
Ru04 C34 C35 C31 -63.5(2) . . . . ?
C33 C34 C35 C40 -176.0(3) . . . . ?
C39 C34 C35 C40 -6.1(6) . . . . ?
Ru04 C34 C35 C40 121.6(4) . . . . ?
C33 C34 C35 Ru04 62.5(2) . . . . ?
C39 C34 C35 Ru04 -127.7(4) . . . . ?
C53 B1 C41 C46 -89.7(3) . . . . ?
C59 B1 C41 C46 33.4(4) . . . . ?
C47 B1 C41 C46 149.2(3) . . . . ?
C53 B1 C41 C42 82.6(3) . . . . ?
C59 B1 C41 C42 -154.4(3) . . . . ?
C47 B1 C41 C42 -38.6(4) . . . . ?
C46 C41 C42 C43 0.0(5) . . . . ?
B1 C41 C42 C43 -172.8(3) . . . . ?
C41 C42 C43 C44 -0.1(6) . . . . ?
C42 C43 C44 C45 0.3(6) . . . . ?
C43 C44 C45 C46 -0.5(6) . . . . ?
C44 C45 C46 C41 0.4(6) . . . . ?
C42 C41 C46 C45 -0.2(5) . . . . ?
B1 C41 C46 C45 172.6(3) . . . . ?
C53 B1 C47 C48 -146.4(3) . . . . ?
C41 B1 C47 C48 -30.2(4) . . . . ?
C59 B1 C47 C48 90.0(3) . . . . ?
C53 B1 C47 C52 41.3(4) . . . . ?
C41 B1 C47 C52 157.4(3) . . . . ?
C59 B1 C47 C52 -82.3(3) . . . . ?
C52 C47 C48 C49 -0.7(5) . . . . ?
B1 C47 C48 C49 -173.5(3) . . . . ?
C47 C48 C49 C50 -0.2(6) . . . . ?
C48 C49 C50 C51 0.4(6) . . . . ?
C49 C50 C51 C52 0.3(5) . . . . ?
C50 C51 C52 C47 -1.2(5) . . . . ?
C48 C47 C52 C51 1.4(4) . . . . ?
B1 C47 C52 C51 174.3(3) . . . . ?
C41 B1 C53 C58 80.1(3) . . . . ?
C59 B1 C53 C58 -41.1(4) . . . . ?
C47 B1 C53 C58 -158.7(3) . . . . ?
C41 B1 C53 C54 -91.7(3) . . . . ?
C59 B1 C53 C54 147.2(3) . . . . ?
C47 B1 C53 C54 29.6(4) . . . . ?
C58 C53 C54 C55 0.1(5) . . . . ?
B1 C53 C54 C55 172.5(3) . . . . ?
C53 C54 C55 C56 0.6(5) . . . . ?
C54 C55 C56 C57 -0.6(5) . . . . ?
C55 C56 C57 C58 -0.1(5) . . . . ?
C56 C57 C58 C53 0.8(5) . . . . ?
C54 C53 C58 C57 -0.8(5) . . . . ?
B1 C53 C58 C57 -173.2(3) . . . . ?
C53 B1 C59 C60 169.8(3) . . . . ?
C41 B1 C59 C60 53.0(4) . . . . ?
C47 B1 C59 C60 -67.9(3) . . . . ?
C53 B1 C59 C64 -16.5(4) . . . . ?
C41 B1 C59 C64 -133.4(3) . . . . ?
C47 B1 C59 C64 105.8(3) . . . . ?
C64 C59 C60 C61 0.0(5) . . . . ?
B1 C59 C60 C61 174.3(3) . . . . ?
C59 C60 C61 C62 1.1(5) . . . . ?
C60 C61 C62 C63 -1.4(5) . . . . ?
C61 C62 C63 C64 0.6(5) . . . . ?
C62 C63 C64 C59 0.6(5) . . . . ?
C60 C59 C64 C63 -0.9(4) . . . . ?
B1 C59 C64 C63 -174.8(3) . . . . ?
C83 B2 C65 C66 13.8(4) . . . . ?
C71 B2 C65 C66 -105.7(3) . . . . ?
C77 B2 C65 C66 134.3(3) . . . . ?
C83 B2 C65 C70 -165.6(3) . . . . ?
C71 B2 C65 C70 74.9(4) . . . . ?
C77 B2 C65 C70 -45.1(4) . . . . ?
C70 C65 C66 C67 -0.4(5) . . . . ?
B2 C65 C66 C67 -179.8(3) . . . . ?
C65 C66 C67 C68 0.2(6) . . . . ?
C66 C67 C68 C69 0.1(6) . . . . ?
C67 C68 C69 C70 -0.1(7) . . . . ?
C68 C69 C70 C65 -0.1(7) . . . . ?
C66 C65 C70 C69 0.3(5) . . . . ?
B2 C65 C70 C69 179.8(3) . . . . ?
C65 B2 C71 C76 158.3(3) . . . . ?
C83 B2 C71 C76 35.5(4) . . . . ?
C77 B2 C71 C76 -83.1(4) . . . . ?
C65 B2 C71 C72 -23.4(4) . . . . ?
C83 B2 C71 C72 -146.2(3) . . . . ?
C77 B2 C71 C72 95.2(4) . . . . ?
C76 C71 C72 C73 0.7(5) . . . . ?
B2 C71 C72 C73 -177.7(3) . . . . ?
C71 C72 C73 C74 -0.4(6) . . . . ?
C72 C73 C74 C75 -0.3(6) . . . . ?
C73 C74 C75 C76 0.8(6) . . . . ?
C72 C71 C76 C75 -0.3(5) . . . . ?
B2 C71 C76 C75 178.2(3) . . . . ?
C74 C75 C76 C71 -0.4(5) . . . . ?
C65 B2 C77 C82 -42.6(4) . . . . ?
C83 B2 C77 C82 79.8(4) . . . . ?
C71 B2 C77 C82 -163.1(3) . . . . ?
C65 B2 C77 C78 137.9(3) . . . . ?
C83 B2 C77 C78 -99.7(4) . . . . ?
C71 B2 C77 C78 17.4(5) . . . . ?
C82 C77 C78 C79 1.6(5) . . . . ?
B2 C77 C78 C79 -178.8(3) . . . . ?
C77 C78 C79 C80 -0.1(5) . . . . ?
C78 C79 C80 C81 -1.3(5) . . . . ?
C79 C80 C81 C82 1.0(6) . . . . ?
C80 C81 C82 C77 0.7(6) . . . . ?
C78 C77 C82 C81 -2.0(5) . . . . ?
B2 C77 C82 C81 178.5(3) . . . . ?
C65 B2 C83 C88 120.8(3) . . . . ?
C71 B2 C83 C88 -117.5(3) . . . . ?
C77 B2 C83 C88 1.5(4) . . . . ?
C65 B2 C83 C84 -63.3(4) . . . . ?
C71 B2 C83 C84 58.4(3) . . . . ?
C77 B2 C83 C84 177.4(3) . . . . ?
C88 C83 C84 C85 -1.4(4) . . . . ?
B2 C83 C84 C85 -177.6(3) . . . . ?
C83 C84 C85 C86 1.6(5) . . . . ?
C84 C85 C86 C87 -0.7(5) . . . . ?
C85 C86 C87 C88 -0.4(5) . . . . ?
C86 C87 C88 C83 0.6(5) . . . . ?
C84 C83 C88 C87 0.3(4) . . . . ?
B2 C83 C88 C87 176.4(3) . . . . ?

_refine_diff_density_max         1.142
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.094

