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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4a
_database_code_depnum_ccdc_archive 'CCDC 1901042'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2019-03-05 deposited with the CCDC.	2019-04-26 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            'C32 H46 N2 Ru2'
_chemical_formula_weight         660.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   19.7520(6)
_cell_length_b                   8.49780(19)
_cell_length_c                   34.8959(7)
_cell_angle_alpha                90
_cell_angle_beta                 101.3836(8)
_cell_angle_gamma                90
_cell_volume                     5742.0(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    33032
_cell_measurement_theta_min      3.050
_cell_measurement_theta_max      29.985

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_F_000             2720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.075
_shelx_estimated_absorpt_T_min   0.882
_shelx_estimated_absorpt_T_max   0.938
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.8708
_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            31904
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_theta_min         3.050
_diffrn_reflns_theta_max         29.985
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             8193
_reflns_number_gt                7393
_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-2016/4 (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)+(0.0157P)²+9.2811P] 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       0.00050(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8193
_refine_ls_number_parameters     378
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0224
_refine_ls_wR_factor_ref         0.0504
_refine_ls_wR_factor_gt          0.0486
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.008
_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 0.68127(2) 0.55373(2) 0.60651(2) 0.01125(4) Uani 1 1 d . . . . .
Ru2 Ru 0.57914(2) 0.50649(2) 0.65459(2) 0.01166(4) Uani 1 1 d . . . . .
N1 N 0.61514(6) 0.37258(15) 0.61239(4) 0.0124(2) Uani 1 1 d . . . . .
N2 N 0.59270(7) 0.61450(16) 0.56493(4) 0.0155(2) Uani 1 1 d . . . . .
C1 C 0.54478(8) 0.40527(19) 0.59672(4) 0.0144(3) Uani 1 1 d . . . . .
C2 C 0.49506(8) 0.2743(2) 0.59182(5) 0.0175(3) Uani 1 1 d . . . . .
H2A H 0.4492(11) 0.299(3) 0.5796(6) 0.025(5) Uiso 1 1 d . . . . .
C3 C 0.51152(8) 0.1268(2) 0.60346(5) 0.0191(3) Uani 1 1 d . . . . .
C4 C 0.58318(9) 0.0903(2) 0.62481(6) 0.0231(3) Uani 1 1 d . . . . .
H4A H 0.5968(13) -0.020(3) 0.6201(7) 0.036(7) Uiso 1 1 d . . . . .
H4B H 0.5828(13) 0.089(3) 0.6540(7) 0.045(7) Uiso 1 1 d . . . . .
C5 C 0.63642(8) 0.20771(19) 0.61735(5) 0.0165(3) Uani 1 1 d . . . . .
H5A H 0.6512(12) 0.180(3) 0.5923(6) 0.030(6) Uiso 1 1 d . . . . .
H5B H 0.6786(10) 0.203(2) 0.6375(6) 0.016(5) Uiso 1 1 d . . . . .
C6 C 0.45976(10) -0.0056(2) 0.59881(6) 0.0264(4) Uani 1 1 d . . . . .
H6A H 0.456736 -0.047170 0.624607 0.040 Uiso 1 1 calc R U . . .
H6B H 0.474497 -0.089476 0.583004 0.040 Uiso 1 1 calc R U . . .
H6C H 0.414413 0.033821 0.585782 0.040 Uiso 1 1 calc R U . . .
C7 C 0.53437(8) 0.53321(19) 0.56772(4) 0.0150(3) Uani 1 1 d . . . . .
C8 C 0.47041(9) 0.5739(2) 0.54441(5) 0.0191(3) Uani 1 1 d . . . . .
H8A H 0.4307(12) 0.513(3) 0.5473(6) 0.024(5) Uiso 1 1 d . . . . .
C9 C 0.46500(9) 0.6959(2) 0.51774(5) 0.0218(3) Uani 1 1 d . . . . .
C10 C 0.52575(10) 0.7758(2) 0.51469(5) 0.0227(3) Uani 1 1 d . . . . .
H10A H 0.5255(12) 0.860(3) 0.4970(6) 0.029(6) Uiso 1 1 d . . . . .
C11 C 0.58706(9) 0.7328(2) 0.53864(5) 0.0196(3) Uani 1 1 d . . . . .
H11A H 0.6290(10) 0.788(2) 0.5376(6) 0.018(5) Uiso 1 1 d . . . . .
C12 C 0.39633(10) 0.7416(2) 0.49305(5) 0.0293(4) Uani 1 1 d . . . . .
H12A H 0.400748 0.843124 0.480448 0.044 Uiso 1 1 calc R U . . .
H12B H 0.361847 0.750196 0.509645 0.044 Uiso 1 1 calc R U . . .
H12C H 0.381740 0.661162 0.472993 0.044 Uiso 1 1 calc R U . . .
C13 C 0.77957(8) 0.44704(18) 0.60232(5) 0.0146(3) Uani 1 1 d . . . . .
C14 C 0.78487(8) 0.51569(19) 0.64054(5) 0.0149(3) Uani 1 1 d . . . . .
C15 C 0.77211(8) 0.68190(19) 0.63511(4) 0.0149(3) Uani 1 1 d . . . . .
C16 C 0.76057(8) 0.71677(19) 0.59442(5) 0.0159(3) Uani 1 1 d . . . . .
C17 C 0.76398(8) 0.56990(18) 0.57377(5) 0.0154(3) Uani 1 1 d . . . . .
C18 C 0.79516(9) 0.27970(19) 0.59358(5) 0.0202(3) Uani 1 1 d . . . . .
H18A H 0.788208 0.212136 0.615238 0.030 Uiso 1 1 calc R U . . .
H18B H 0.843208 0.271495 0.590354 0.030 Uiso 1 1 calc R U . . .
H18C H 0.764266 0.246051 0.569454 0.030 Uiso 1 1 calc R U . . .
C19 C 0.80966(9) 0.4332(2) 0.67874(5) 0.0216(3) Uani 1 1 d . . . . .
H19A H 0.792071 0.325094 0.676994 0.032 Uiso 1 1 calc R U . . .
H19B H 0.792842 0.489214 0.699567 0.032 Uiso 1 1 calc R U . . .
H19C H 0.860265 0.431490 0.684607 0.032 Uiso 1 1 calc R U . . .
C20 C 0.77394(9) 0.8029(2) 0.66672(5) 0.0202(3) Uani 1 1 d . . . . .
H20A H 0.756907 0.755989 0.688674 0.030 Uiso 1 1 calc R U . . .
H20B H 0.744603 0.892276 0.656395 0.030 Uiso 1 1 calc R U . . .
H20C H 0.821512 0.839238 0.675716 0.030 Uiso 1 1 calc R U . . .
C21 C 0.75545(9) 0.8784(2) 0.57704(5) 0.0225(3) Uani 1 1 d . . . . .
H21A H 0.737134 0.871491 0.548869 0.034 Uiso 1 1 calc R U . . .
H21B H 0.801379 0.926789 0.581562 0.034 Uiso 1 1 calc R U . . .
H21C H 0.724480 0.942790 0.589317 0.034 Uiso 1 1 calc R U . . .
C22 C 0.75975(10) 0.5542(2) 0.53065(5) 0.0223(3) Uani 1 1 d . . . . .
H22A H 0.721952 0.619819 0.516746 0.033 Uiso 1 1 calc R U . . .
H22B H 0.751131 0.444036 0.522942 0.033 Uiso 1 1 calc R U . . .
H22C H 0.803392 0.588621 0.524035 0.033 Uiso 1 1 calc R U . . .
C23 C 0.62129(8) 0.51742(19) 0.72018(4) 0.0158(3) Uani 1 1 d . . . . .
C24 C 0.59555(8) 0.36197(19) 0.71295(4) 0.0152(3) Uani 1 1 d . . . . .
C25 C 0.52380(8) 0.37101(19) 0.69556(4) 0.0148(3) Uani 1 1 d . . . . .
C26 C 0.50464(8) 0.53421(19) 0.69213(5) 0.0159(3) Uani 1 1 d . . . . .
C27 C 0.56537(8) 0.62554(18) 0.70751(4) 0.0162(3) Uani 1 1 d . . . . .
C28 C 0.69109(9) 0.5614(2) 0.74318(5) 0.0231(3) Uani 1 1 d . . . . .
H28A H 0.705989 0.660689 0.733200 0.035 Uiso 1 1 calc R U . . .
H28B H 0.724331 0.478376 0.740588 0.035 Uiso 1 1 calc R U . . .
H28C H 0.688566 0.573843 0.770781 0.035 Uiso 1 1 calc R U . . .
C29 C 0.63664(9) 0.2153(2) 0.72470(5) 0.0229(3) Uani 1 1 d . . . . .
H29A H 0.606628 0.123168 0.718613 0.034 Uiso 1 1 calc R U . . .
H29B H 0.655691 0.218228 0.752836 0.034 Uiso 1 1 calc R U . . .
H29C H 0.674460 0.208803 0.710330 0.034 Uiso 1 1 calc R U . . .
C30 C 0.47345(9) 0.2368(2) 0.68824(5) 0.0214(3) Uani 1 1 d . . . . .
H30A H 0.441476 0.253089 0.663258 0.032 Uiso 1 1 calc R U . . .
H30B H 0.447378 0.231902 0.709369 0.032 Uiso 1 1 calc R U . . .
H30C H 0.498612 0.137976 0.687311 0.032 Uiso 1 1 calc R U . . .
C31 C 0.43284(9) 0.5959(2) 0.67954(5) 0.0246(4) Uani 1 1 d . . . . .
H31A H 0.434618 0.704427 0.670283 0.037 Uiso 1 1 calc R U . . .
H31B H 0.409184 0.593532 0.701716 0.037 Uiso 1 1 calc R U . . .
H31C H 0.407631 0.530227 0.658360 0.037 Uiso 1 1 calc R U . . .
C32 C 0.56895(11) 0.8005(2) 0.71428(5) 0.0259(4) Uani 1 1 d . . . . .
H32A H 0.531745 0.852135 0.695829 0.039 Uiso 1 1 calc R U . . .
H32B H 0.613657 0.840157 0.710340 0.039 Uiso 1 1 calc R U . . .
H32C H 0.563763 0.823142 0.741091 0.039 Uiso 1 1 calc R U . . .
H1 H 0.6356(12) 0.641(3) 0.6418(7) 0.037(6) Uiso 1 1 d . . . . .
H2 H 0.5450(13) 0.651(3) 0.6317(7) 0.047(7) 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 N1 2.0552(13) . ?
Ru1 N2 2.1048(13) . ?
Ru1 C15 2.1667(15) . ?
Ru1 C13 2.1738(15) . ?
Ru1 C17 2.1748(15) . ?
Ru1 C14 2.1778(15) . ?
Ru1 C16 2.1936(15) . ?
Ru1 Ru2 2.89518(17) . ?
Ru2 N1 2.0934(13) . ?
Ru2 C26 2.1674(15) . ?
Ru2 C27 2.1694(15) . ?
Ru2 C1 2.1764(15) . ?
Ru2 C25 2.2762(15) . ?
Ru2 C23 2.2778(15) . ?
Ru2 C24 2.3452(15) . ?
N1 C1 1.4168(19) . ?
N1 C5 1.463(2) . ?
N2 C11 1.351(2) . ?
N2 C7 1.363(2) . ?
C1 C2 1.472(2) . ?
C1 C7 1.472(2) . ?
C2 C3 1.338(2) . ?
C3 C4 1.496(2) . ?
C3 C6 1.507(2) . ?
C4 C5 1.509(2) . ?
C7 C8 1.404(2) . ?
C8 C9 1.384(2) . ?
C9 C10 1.401(3) . ?
C9 C12 1.507(2) . ?
C10 C11 1.378(2) . ?
C13 C17 1.434(2) . ?
C13 C14 1.441(2) . ?
C13 C18 1.499(2) . ?
C14 C15 1.441(2) . ?
C14 C19 1.500(2) . ?
C15 C16 1.424(2) . ?
C15 C20 1.503(2) . ?
C16 C17 1.449(2) . ?
C16 C21 1.497(2) . ?
C17 C22 1.496(2) . ?
C23 C24 1.420(2) . ?
C23 C27 1.438(2) . ?
C23 C28 1.499(2) . ?
C24 C25 1.429(2) . ?
C24 C29 1.499(2) . ?
C25 C26 1.436(2) . ?
C25 C30 1.501(2) . ?
C26 C27 1.441(2) . ?
C26 C31 1.494(2) . ?
C27 C32 1.505(2) . ?

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
N1 Ru1 N2 78.14(5) . . ?
N1 Ru1 C15 144.62(5) . . ?
N2 Ru1 C15 133.96(6) . . ?
N1 Ru1 C13 106.74(5) . . ?
N2 Ru1 C13 133.46(5) . . ?
C15 Ru1 C13 64.61(6) . . ?
N1 Ru1 C17 131.14(5) . . ?
N2 Ru1 C17 103.34(6) . . ?
C15 Ru1 C17 64.57(6) . . ?
C13 Ru1 C17 38.51(6) . . ?
N1 Ru1 C14 112.44(5) . . ?
N2 Ru1 C14 167.41(6) . . ?
C15 Ru1 C14 38.73(6) . . ?
C13 Ru1 C14 38.66(6) . . ?
C17 Ru1 C14 64.75(6) . . ?
N1 Ru1 C16 169.84(5) . . ?
N2 Ru1 C16 103.91(6) . . ?
C15 Ru1 C16 38.12(6) . . ?
C13 Ru1 C16 64.49(6) . . ?
C17 Ru1 C16 38.75(6) . . ?
C14 Ru1 C16 64.46(6) . . ?
N1 Ru1 Ru2 46.29(4) . . ?
N2 Ru1 Ru2 81.61(4) . . ?
C15 Ru1 Ru2 114.27(4) . . ?
C13 Ru1 Ru2 135.64(4) . . ?
C17 Ru1 Ru2 174.14(4) . . ?
C14 Ru1 Ru2 110.52(4) . . ?
C16 Ru1 Ru2 143.58(4) . . ?
N1 Ru2 C26 148.17(6) . . ?
N1 Ru2 C27 165.78(6) . . ?
C26 Ru2 C27 38.80(6) . . ?
N1 Ru2 C1 38.70(5) . . ?
C26 Ru2 C1 118.63(6) . . ?
C27 Ru2 C1 154.90(6) . . ?
N1 Ru2 C25 116.03(5) . . ?
C26 Ru2 C25 37.62(6) . . ?
C27 Ru2 C25 62.92(6) . . ?
C1 Ru2 C25 106.40(6) . . ?
N1 Ru2 C23 128.42(5) . . ?
C26 Ru2 C23 62.96(6) . . ?
C27 Ru2 C23 37.62(6) . . ?
C1 Ru2 C23 159.00(6) . . ?
C25 Ru2 C23 60.99(6) . . ?
N1 Ru2 C24 108.56(5) . . ?
C26 Ru2 C24 61.71(6) . . ?
C27 Ru2 C24 61.58(6) . . ?
C1 Ru2 C24 124.27(6) . . ?
C25 Ru2 C24 35.99(5) . . ?
C23 Ru2 C24 35.74(6) . . ?
N1 Ru2 Ru1 45.21(3) . . ?
C26 Ru2 Ru1 165.70(4) . . ?
C27 Ru2 Ru1 130.35(4) . . ?
C1 Ru2 Ru1 69.05(4) . . ?
C25 Ru2 Ru1 155.51(4) . . ?
C23 Ru2 Ru1 114.73(4) . . ?
C24 Ru2 Ru1 125.67(4) . . ?
C1 N1 C5 118.06(12) . . ?
C1 N1 Ru1 114.13(10) . . ?
C5 N1 Ru1 123.76(10) . . ?
C1 N1 Ru2 73.82(8) . . ?
C5 N1 Ru2 124.53(10) . . ?
Ru1 N1 Ru2 88.51(5) . . ?
C11 N2 C7 117.91(14) . . ?
C11 N2 Ru1 126.64(11) . . ?
C7 N2 Ru1 115.19(10) . . ?
N1 C1 C2 118.55(14) . . ?
N1 C1 C7 113.80(13) . . ?
C2 C1 C7 118.62(13) . . ?
N1 C1 Ru2 67.48(7) . . ?
C2 C1 Ru2 119.04(10) . . ?
C7 C1 Ru2 108.77(10) . . ?
C3 C2 C1 123.82(15) . . ?
C2 C3 C4 119.67(15) . . ?
C2 C3 C6 123.21(16) . . ?
C4 C3 C6 116.97(16) . . ?
C3 C4 C5 113.57(15) . . ?
N1 C5 C4 117.38(14) . . ?
N2 C7 C8 120.69(15) . . ?
N2 C7 C1 114.71(13) . . ?
C8 C7 C1 124.60(15) . . ?
C9 C8 C7 121.02(16) . . ?
C8 C9 C10 117.43(15) . . ?
C8 C9 C12 121.26(17) . . ?
C10 C9 C12 121.32(17) . . ?
C11 C10 C9 119.28(16) . . ?
N2 C11 C10 123.64(17) . . ?
C17 C13 C14 108.35(13) . . ?
C17 C13 C18 125.04(14) . . ?
C14 C13 C18 126.31(14) . . ?
C17 C13 Ru1 70.79(9) . . ?
C14 C13 Ru1 70.82(9) . . ?
C18 C13 Ru1 129.16(11) . . ?
C13 C14 C15 107.24(13) . . ?
C13 C14 C19 125.80(14) . . ?
C15 C14 C19 126.36(14) . . ?
C13 C14 Ru1 70.52(8) . . ?
C15 C14 Ru1 70.22(8) . . ?
C19 C14 Ru1 131.35(11) . . ?
C16 C15 C14 108.94(13) . . ?
C16 C15 C20 124.43(15) . . ?
C14 C15 C20 126.56(14) . . ?
C16 C15 Ru1 71.96(9) . . ?
C14 C15 Ru1 71.05(8) . . ?
C20 C15 Ru1 125.43(11) . . ?
C15 C16 C17 107.61(14) . . ?
C15 C16 C21 125.42(15) . . ?
C17 C16 C21 126.51(14) . . ?
C15 C16 Ru1 69.91(9) . . ?
C17 C16 Ru1 69.92(8) . . ?
C21 C16 Ru1 131.59(12) . . ?
C13 C17 C16 107.84(13) . . ?
C13 C17 C22 126.55(15) . . ?
C16 C17 C22 125.28(14) . . ?
C13 C17 Ru1 70.71(8) . . ?
C16 C17 Ru1 71.33(8) . . ?
C22 C17 Ru1 128.60(11) . . ?
C24 C23 C27 108.27(14) . . ?
C24 C23 C28 125.88(15) . . ?
C27 C23 C28 125.09(15) . . ?
C24 C23 Ru2 74.72(9) . . ?
C27 C23 Ru2 67.10(8) . . ?
C28 C23 Ru2 131.55(11) . . ?
C23 C24 C25 108.40(14) . . ?
C23 C24 C29 124.68(14) . . ?
C25 C24 C29 126.77(15) . . ?
C23 C24 Ru2 69.54(9) . . ?
C25 C24 Ru2 69.37(8) . . ?
C29 C24 Ru2 130.34(11) . . ?
C24 C25 C26 108.07(14) . . ?
C24 C25 C30 126.83(14) . . ?
C26 C25 C30 124.35(14) . . ?
C24 C25 Ru2 74.63(9) . . ?
C26 C25 Ru2 67.08(8) . . ?
C30 C25 Ru2 131.40(11) . . ?
C25 C26 C27 107.63(13) . . ?
C25 C26 C31 125.62(15) . . ?
C27 C26 C31 126.35(15) . . ?
C25 C26 Ru2 75.30(9) . . ?
C27 C26 Ru2 70.68(9) . . ?
C31 C26 Ru2 125.35(11) . . ?
C23 C27 C26 107.64(14) . . ?
C23 C27 C32 125.01(15) . . ?
C26 C27 C32 126.91(15) . . ?
C23 C27 Ru2 75.28(9) . . ?
C26 C27 Ru2 70.52(8) . . ?
C32 C27 Ru2 125.77(11) . . ?

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 N1 C1 C2 9.1(2) . . . . ?
Ru1 N1 C1 C2 167.31(11) . . . . ?
Ru2 N1 C1 C2 -111.88(13) . . . . ?
C5 N1 C1 C7 -137.65(14) . . . . ?
Ru1 N1 C1 C7 20.60(16) . . . . ?
Ru2 N1 C1 C7 101.41(12) . . . . ?
C5 N1 C1 Ru2 120.94(12) . . . . ?
Ru1 N1 C1 Ru2 -80.81(7) . . . . ?
N1 C1 C2 C3 4.2(2) . . . . ?
C7 C1 C2 C3 149.26(16) . . . . ?
Ru2 C1 C2 C3 -74.50(19) . . . . ?
C1 C2 C3 C4 3.6(2) . . . . ?
C1 C2 C3 C6 179.01(15) . . . . ?
C2 C3 C4 C5 -22.8(2) . . . . ?
C6 C3 C4 C5 161.48(15) . . . . ?
C1 N1 C5 C4 -29.2(2) . . . . ?
Ru1 N1 C5 C4 174.79(11) . . . . ?
Ru2 N1 C5 C4 59.84(18) . . . . ?
C3 C4 C5 N1 35.5(2) . . . . ?
C11 N2 C7 C8 -1.2(2) . . . . ?
Ru1 N2 C7 C8 173.32(12) . . . . ?
C11 N2 C7 C1 179.45(14) . . . . ?
Ru1 N2 C7 C1 -6.04(17) . . . . ?
N1 C1 C7 N2 -9.35(19) . . . . ?
C2 C1 C7 N2 -156.03(14) . . . . ?
Ru2 C1 C7 N2 63.66(15) . . . . ?
N1 C1 C7 C8 171.32(14) . . . . ?
C2 C1 C7 C8 24.6(2) . . . . ?
Ru2 C1 C7 C8 -115.68(15) . . . . ?
N2 C7 C8 C9 0.8(2) . . . . ?
C1 C7 C8 C9 -179.94(15) . . . . ?
C7 C8 C9 C10 0.6(2) . . . . ?
C7 C8 C9 C12 -179.12(15) . . . . ?
C8 C9 C10 C11 -1.6(2) . . . . ?
C12 C9 C10 C11 178.20(16) . . . . ?
C7 N2 C11 C10 0.2(2) . . . . ?
Ru1 N2 C11 C10 -173.58(13) . . . . ?
C9 C10 C11 N2 1.2(3) . . . . ?
C17 C13 C14 C15 0.22(17) . . . . ?
C18 C13 C14 C15 174.03(14) . . . . ?
Ru1 C13 C14 C15 -60.94(10) . . . . ?
C17 C13 C14 C19 -171.34(15) . . . . ?
C18 C13 C14 C19 2.5(3) . . . . ?
Ru1 C13 C14 C19 127.51(16) . . . . ?
C17 C13 C14 Ru1 61.15(10) . . . . ?
C18 C13 C14 Ru1 -125.03(16) . . . . ?
C13 C14 C15 C16 -1.23(17) . . . . ?
C19 C14 C15 C16 170.26(15) . . . . ?
Ru1 C14 C15 C16 -62.36(11) . . . . ?
C13 C14 C15 C20 -178.31(14) . . . . ?
C19 C14 C15 C20 -6.8(3) . . . . ?
Ru1 C14 C15 C20 120.56(15) . . . . ?
C13 C14 C15 Ru1 61.13(10) . . . . ?
C19 C14 C15 Ru1 -127.38(16) . . . . ?
C14 C15 C16 C17 1.75(17) . . . . ?
C20 C15 C16 C17 178.91(14) . . . . ?
Ru1 C15 C16 C17 -60.03(11) . . . . ?
C14 C15 C16 C21 -170.82(15) . . . . ?
C20 C15 C16 C21 6.3(2) . . . . ?
Ru1 C15 C16 C21 127.39(16) . . . . ?
C14 C15 C16 Ru1 61.79(10) . . . . ?
C20 C15 C16 Ru1 -121.06(15) . . . . ?
C14 C13 C17 C16 0.85(17) . . . . ?
C18 C13 C17 C16 -173.06(14) . . . . ?
Ru1 C13 C17 C16 62.03(10) . . . . ?
C14 C13 C17 C22 174.53(15) . . . . ?
C18 C13 C17 C22 0.6(3) . . . . ?
Ru1 C13 C17 C22 -124.29(16) . . . . ?
C14 C13 C17 Ru1 -61.18(10) . . . . ?
C18 C13 C17 Ru1 124.91(15) . . . . ?
C15 C16 C17 C13 -1.61(17) . . . . ?
C21 C16 C17 C13 170.87(15) . . . . ?
Ru1 C16 C17 C13 -61.63(10) . . . . ?
C15 C16 C17 C22 -175.39(15) . . . . ?
C21 C16 C17 C22 -2.9(3) . . . . ?
Ru1 C16 C17 C22 124.59(16) . . . . ?
C15 C16 C17 Ru1 60.03(10) . . . . ?
C21 C16 C17 Ru1 -127.50(16) . . . . ?
C27 C23 C24 C25 0.36(17) . . . . ?
C28 C23 C24 C25 170.75(15) . . . . ?
Ru2 C23 C24 C25 -58.64(10) . . . . ?
C27 C23 C24 C29 -175.41(15) . . . . ?
C28 C23 C24 C29 -5.0(3) . . . . ?
Ru2 C23 C24 C29 125.59(15) . . . . ?
C27 C23 C24 Ru2 59.00(10) . . . . ?
C28 C23 C24 Ru2 -130.61(16) . . . . ?
C23 C24 C25 C26 -0.29(17) . . . . ?
C29 C24 C25 C26 175.37(15) . . . . ?
Ru2 C24 C25 C26 -59.04(10) . . . . ?
C23 C24 C25 C30 -170.63(15) . . . . ?
C29 C24 C25 C30 5.0(3) . . . . ?
Ru2 C24 C25 C30 130.62(16) . . . . ?
C23 C24 C25 Ru2 58.75(11) . . . . ?
C29 C24 C25 Ru2 -125.60(16) . . . . ?
C24 C25 C26 C27 0.11(17) . . . . ?
C30 C25 C26 C27 170.75(14) . . . . ?
Ru2 C25 C26 C27 -63.75(10) . . . . ?
C24 C25 C26 C31 -172.92(15) . . . . ?
C30 C25 C26 C31 -2.3(2) . . . . ?
Ru2 C25 C26 C31 123.22(16) . . . . ?
C24 C25 C26 Ru2 63.86(11) . . . . ?
C30 C25 C26 Ru2 -125.50(15) . . . . ?
C24 C23 C27 C26 -0.29(17) . . . . ?
C28 C23 C27 C26 -170.77(15) . . . . ?
Ru2 C23 C27 C26 63.56(10) . . . . ?
C24 C23 C27 C32 172.52(15) . . . . ?
C28 C23 C27 C32 2.0(3) . . . . ?
Ru2 C23 C27 C32 -123.63(16) . . . . ?
C24 C23 C27 Ru2 -63.85(11) . . . . ?
C28 C23 C27 Ru2 125.67(15) . . . . ?
C25 C26 C27 C23 0.11(17) . . . . ?
C31 C26 C27 C23 173.07(15) . . . . ?
Ru2 C26 C27 C23 -66.72(11) . . . . ?
C25 C26 C27 C32 -172.53(15) . . . . ?
C31 C26 C27 C32 0.4(3) . . . . ?
Ru2 C26 C27 C32 120.65(16) . . . . ?
C25 C26 C27 Ru2 66.83(11) . . . . ?
C31 C26 C27 Ru2 -120.21(16) . . . . ?

_refine_diff_density_max         0.837
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.076

####################################################################### 
# 
# 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_6b
_database_code_depnum_ccdc_archive 'CCDC 1901044'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2019-03-05 deposited with the CCDC.	2019-04-26 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            'C37 H47 F6 N3 Ru2'
_chemical_formula_weight         849.91

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'
F F 0.0171 0.0103 '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'
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                   10.3925(4)
_cell_length_b                   11.2250(5)
_cell_length_c                   17.5502(8)
_cell_angle_alpha                86.627(2)
_cell_angle_beta                 86.4350(10)
_cell_angle_gamma                63.9190(10)
_cell_volume                     1834.17(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    18158
_cell_measurement_theta_min      3.029
_cell_measurement_theta_max      27.459

_exptl_crystal_description       Block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_F_000             864
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.384
_exptl_crystal_size_mid          0.309
_exptl_crystal_size_min          0.258
_exptl_absorpt_coefficient_mu    0.884
_shelx_estimated_absorpt_T_min   0.728
_shelx_estimated_absorpt_T_max   0.804
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.6945
_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            18139
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.029
_diffrn_reflns_theta_max         27.459
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             8290
_reflns_number_gt                7400
_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-2016/4 (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)+(0.0371P)²+1.3328P] 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         8290
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0312
_refine_ls_wR_factor_ref         0.0810
_refine_ls_wR_factor_gt          0.0779
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_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
Ru2 Ru 0.25945(2) 0.49882(2) 0.83984(2) 0.01887(6) Uani 1 1 d . . . . .
Ru1 Ru 0.57010(2) 0.17055(2) 0.73436(2) 0.01826(6) Uani 1 1 d . . . . .
N2 N 0.35602(19) 0.22851(19) 0.70491(10) 0.0210(4) Uani 1 1 d . . . . .
C7 C 0.2763(2) 0.3618(2) 0.69578(12) 0.0201(4) Uani 1 1 d . . . . .
C8 C 0.1462(3) 0.4134(2) 0.65817(13) 0.0253(5) Uani 1 1 d . . . . .
H8 H 0.088(3) 0.510(3) 0.6503(16) 0.029(7) Uiso 1 1 d . . . . .
C9 C 0.0954(3) 0.3269(3) 0.63487(14) 0.0288(5) Uani 1 1 d . . . . .
C10 C 0.1721(3) 0.1916(3) 0.64916(16) 0.0319(5) Uani 1 1 d . . . . .
H10 H 0.141(4) 0.133(3) 0.6400(19) 0.046(9) Uiso 1 1 d . . . . .
C11 C 0.3018(3) 0.1467(2) 0.68355(15) 0.0277(5) Uani 1 1 d . . . . .
H11 H 0.361(3) 0.058(3) 0.6938(15) 0.022(6) Uiso 1 1 d . . . . .
C12 C -0.0437(3) 0.3796(3) 0.59444(18) 0.0428(7) Uani 1 1 d . . . . .
F4 F -0.1259(2) 0.3242(3) 0.62009(16) 0.0828(8) Uani 1 1 d . . . . .
F5 F -0.1159(3) 0.5075(2) 0.5945(2) 0.1044(12) Uani 1 1 d . . . . .
F6 F -0.0213(3) 0.3521(4) 0.52048(13) 0.0979(10) Uani 1 1 d . . . . .
N1 N 0.46153(19) 0.37584(18) 0.76845(10) 0.0187(4) Uani 1 1 d . . . . .
C1 C 0.3362(2) 0.4428(2) 0.72698(12) 0.0191(4) Uani 1 1 d . . . . .
C2 C 0.2679(2) 0.5842(2) 0.72973(13) 0.0217(4) Uani 1 1 d . . . . .
H2 H 0.183(3) 0.640(3) 0.7030(16) 0.029(7) Uiso 1 1 d . . . . .
H4A H 0.522(3) 0.580(3) 0.8351(18) 0.034(8) Uiso 1 1 d . . . . .
H4B H 0.538(3) 0.634(3) 0.7483(18) 0.041(8) Uiso 1 1 d . . . . .
H5A H 0.592(3) 0.437(3) 0.7042(16) 0.020(6) Uiso 1 1 d . . . . .
H5B H 0.635(3) 0.392(3) 0.7871(18) 0.038(8) Uiso 1 1 d . . . . .
C3 C 0.3320(2) 0.6365(2) 0.78170(13) 0.0217(4) Uani 1 1 d . . . . .
C4 C 0.4938(3) 0.5813(2) 0.78406(14) 0.0258(5) Uani 1 1 d . . . . .
C5 C 0.5610(2) 0.4391(2) 0.75803(15) 0.0244(5) Uani 1 1 d . . . . .
C6 C 0.2583(3) 0.7814(2) 0.79118(14) 0.0281(5) Uani 1 1 d . . . . .
F1 F 0.11442(16) 0.83390(15) 0.79161(10) 0.0401(4) Uani 1 1 d . . . . .
F2 F 0.29190(18) 0.82026(15) 0.85552(9) 0.0361(3) Uani 1 1 d . . . . .
F3 F 0.29429(19) 0.85170(15) 0.73349(9) 0.0401(4) Uani 1 1 d . . . . .
C13 C 0.5898(2) 0.2298(2) 0.63229(13) 0.0221(4) Uani 1 1 d . . . . .
N3 N 0.6008(2) 0.2617(2) 0.56815(11) 0.0289(4) Uani 1 1 d . . . . .
C14 C 0.6054(3) 0.2389(3) 0.48674(14) 0.0357(6) Uani 1 1 d . . . . .
C15 C 0.5955(6) 0.1104(4) 0.4783(2) 0.0776(14) Uani 1 1 d . . . . .
H15A H 0.602235 0.091566 0.423992 0.116 Uiso 1 1 calc R U . . .
H15B H 0.503686 0.117851 0.500769 0.116 Uiso 1 1 calc R U . . .
H15C H 0.674268 0.038148 0.504651 0.116 Uiso 1 1 calc R U . . .
C16 C 0.4862(7) 0.3505(5) 0.4484(3) 0.110(2) Uani 1 1 d . . . . .
H16A H 0.483204 0.328376 0.395568 0.165 Uiso 1 1 calc R U . . .
H16B H 0.501220 0.430707 0.448706 0.165 Uiso 1 1 calc R U . . .
H16C H 0.395253 0.366050 0.475675 0.165 Uiso 1 1 calc R U . . .
C17 C 0.7502(7) 0.2236(9) 0.4539(2) 0.135(3) Uani 1 1 d . . . . .
H17A H 0.762787 0.195535 0.401044 0.202 Uiso 1 1 calc R U . . .
H17B H 0.826326 0.156576 0.484453 0.202 Uiso 1 1 calc R U . . .
H17C H 0.755098 0.308665 0.455071 0.202 Uiso 1 1 calc R U . . .
C28 C 0.0427(3) 0.5953(3) 0.89343(14) 0.0284(5) Uani 1 1 d . . . . .
C29 C 0.0752(3) 0.4605(3) 0.87923(13) 0.0275(5) Uani 1 1 d . . . . .
C30 C 0.1977(3) 0.3761(3) 0.92142(14) 0.0291(5) Uani 1 1 d . . . . .
C31 C 0.2395(3) 0.4593(3) 0.96354(13) 0.0297(5) Uani 1 1 d . . . . .
C32 C 0.1436(3) 0.5932(3) 0.94634(14) 0.0295(5) Uani 1 1 d . . . . .
C33 C -0.0853(3) 0.7146(3) 0.86554(19) 0.0451(7) Uani 1 1 d . . . . .
H33A H -0.104560 0.700488 0.813711 0.068 Uiso 1 1 calc R U . . .
H33B H -0.066303 0.792794 0.865078 0.068 Uiso 1 1 calc R U . . .
H33C H -0.168705 0.728606 0.899579 0.068 Uiso 1 1 calc R U . . .
C34 C -0.0107(3) 0.4175(3) 0.83179(17) 0.0420(7) Uani 1 1 d . . . . .
H34A H 0.050521 0.329021 0.812650 0.063 Uiso 1 1 calc R U . . .
H34B H -0.048133 0.480633 0.788570 0.063 Uiso 1 1 calc R U . . .
H34C H -0.090779 0.414542 0.863113 0.063 Uiso 1 1 calc R U . . .
C35 C 0.2609(3) 0.2277(3) 0.9259(2) 0.0457(7) Uani 1 1 d . . . . .
H35A H 0.200268 0.199692 0.959999 0.069 Uiso 1 1 calc R U . . .
H35B H 0.357352 0.191860 0.945726 0.069 Uiso 1 1 calc R U . . .
H35C H 0.266462 0.194507 0.874771 0.069 Uiso 1 1 calc R U . . .
C36 C 0.3520(3) 0.4138(4) 1.02248(16) 0.0455(7) Uani 1 1 d . . . . .
H36A H 0.390359 0.479122 1.024704 0.068 Uiso 1 1 calc R U . . .
H36B H 0.429779 0.327857 1.008608 0.068 Uiso 1 1 calc R U . . .
H36C H 0.309249 0.404726 1.072535 0.068 Uiso 1 1 calc R U . . .
C37 C 0.1399(4) 0.7129(3) 0.98249(18) 0.0480(8) Uani 1 1 d . . . . .
H37A H 0.077533 0.732264 1.028856 0.072 Uiso 1 1 calc R U . . .
H37B H 0.102590 0.789366 0.946451 0.072 Uiso 1 1 calc R U . . .
H37C H 0.237028 0.695236 0.995728 0.072 Uiso 1 1 calc R U . . .
C18 C 0.7794(2) 0.0826(2) 0.78772(13) 0.0240(5) Uani 1 1 d . . . . .
C19 C 0.6810(2) 0.0655(2) 0.84404(13) 0.0242(5) Uani 1 1 d . . . . .
C20 C 0.6229(3) -0.0134(2) 0.81300(14) 0.0258(5) Uani 1 1 d . . . . .
C21 C 0.6840(3) -0.0470(2) 0.73667(14) 0.0266(5) Uani 1 1 d . . . . .
C22 C 0.7846(2) 0.0082(2) 0.72269(14) 0.0262(5) Uani 1 1 d . . . . .
C23 C 0.8789(3) 0.1429(3) 0.80172(16) 0.0321(5) Uani 1 1 d . . . . .
H23A H 0.967753 0.074465 0.822461 0.048 Uiso 1 1 calc R U . . .
H23B H 0.832866 0.213675 0.838333 0.048 Uiso 1 1 calc R U . . .
H23C H 0.901059 0.179952 0.753506 0.048 Uiso 1 1 calc R U . . .
C24 C 0.6552(3) 0.1194(3) 0.92257(15) 0.0354(6) Uani 1 1 d . . . . .
H24A H 0.603086 0.216429 0.919128 0.053 Uiso 1 1 calc R U . . .
H24B H 0.747373 0.093805 0.945928 0.053 Uiso 1 1 calc R U . . .
H24C H 0.598417 0.083329 0.953974 0.053 Uiso 1 1 calc R U . . .
C25 C 0.5245(3) -0.0656(3) 0.85239(17) 0.0349(6) Uani 1 1 d . . . . .
H25A H 0.501346 -0.034131 0.904662 0.052 Uiso 1 1 calc R U . . .
H25B H 0.572007 -0.162874 0.853818 0.052 Uiso 1 1 calc R U . . .
H25C H 0.436131 -0.033942 0.824392 0.052 Uiso 1 1 calc R U . . .
C26 C 0.6681(3) -0.1454(3) 0.68786(17) 0.0378(6) Uani 1 1 d . . . . .
H26A H 0.675540 -0.120893 0.633804 0.057 Uiso 1 1 calc R U . . .
H26B H 0.574317 -0.144803 0.699288 0.057 Uiso 1 1 calc R U . . .
H26C H 0.744015 -0.234351 0.698758 0.057 Uiso 1 1 calc R U . . .
C27 C 0.8862(3) -0.0165(3) 0.65433(15) 0.0356(6) Uani 1 1 d . . . . .
H27A H 0.906016 0.060619 0.643773 0.053 Uiso 1 1 calc R U . . .
H27B H 0.842841 -0.031191 0.609942 0.053 Uiso 1 1 calc R U . . .
H27C H 0.975933 -0.095183 0.664642 0.053 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru2 C1 2.113(2) . ?
Ru2 C2 2.120(2) . ?
Ru2 C3 2.178(2) . ?
Ru2 C30 2.189(2) . ?
Ru2 C28 2.200(2) . ?
Ru2 C29 2.203(2) . ?
Ru2 C31 2.205(2) . ?
Ru2 C32 2.213(2) . ?
Ru2 N1 2.2833(18) . ?
Ru1 C13 1.904(2) . ?
Ru1 N2 2.1145(18) . ?
Ru1 N1 2.1755(18) . ?
Ru1 C22 2.179(2) . ?
Ru1 C21 2.195(2) . ?
Ru1 C18 2.200(2) . ?
Ru1 C20 2.287(2) . ?
Ru1 C19 2.289(2) . ?
N2 C11 1.351(3) . ?
N2 C7 1.360(3) . ?
C7 C8 1.405(3) . ?
C7 C1 1.454(3) . ?
C8 C9 1.384(3) . ?
C8 H8 0.99(3) . ?
C9 C10 1.386(4) . ?
C9 C12 1.506(3) . ?
C10 C11 1.379(4) . ?
C10 H10 0.88(3) . ?
C11 H11 0.93(3) . ?
C12 F5 1.295(4) . ?
C12 F4 1.306(3) . ?
C12 F6 1.334(4) . ?
N1 C1 1.408(3) . ?
N1 C5 1.488(3) . ?
C1 C2 1.428(3) . ?
C2 C3 1.451(3) . ?
C2 H2 0.96(3) . ?
C3 C6 1.476(3) . ?
C3 C4 1.517(3) . ?
C4 C5 1.520(3) . ?
C4 H4A 0.96(3) . ?
C4 H4B 1.06(3) . ?
C5 H5A 0.98(3) . ?
C5 H5B 0.89(3) . ?
C6 F1 1.345(3) . ?
C6 F2 1.352(3) . ?
C6 F3 1.381(3) . ?
C13 N3 1.175(3) . ?
N3 C14 1.460(3) . ?
C14 C16 1.482(5) . ?
C14 C15 1.507(4) . ?
C14 C17 1.517(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C28 C29 1.432(4) . ?
C28 C32 1.435(4) . ?
C28 C33 1.497(4) . ?
C29 C30 1.429(4) . ?
C29 C34 1.498(3) . ?
C30 C31 1.444(4) . ?
C30 C35 1.496(4) . ?
C31 C32 1.418(4) . ?
C31 C36 1.504(4) . ?
C32 C37 1.504(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C18 C22 1.438(3) . ?
C18 C19 1.444(3) . ?
C18 C23 1.501(3) . ?
C19 C20 1.419(3) . ?
C19 C24 1.499(3) . ?
C20 C21 1.444(4) . ?
C20 C25 1.502(3) . ?
C21 C22 1.434(3) . ?
C21 C26 1.507(3) . ?
C22 C27 1.501(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 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
C1 Ru2 C2 39.42(8) . . ?
C1 Ru2 C3 68.33(8) . . ?
C2 Ru2 C3 39.43(8) . . ?
C1 Ru2 C30 123.17(9) . . ?
C2 Ru2 C30 153.26(9) . . ?
C3 Ru2 C30 167.10(9) . . ?
C1 Ru2 C28 133.08(9) . . ?
C2 Ru2 C28 111.09(9) . . ?
C3 Ru2 C28 113.99(9) . . ?
C30 Ru2 C28 63.69(9) . . ?
C1 Ru2 C29 114.82(8) . . ?
C2 Ru2 C29 121.17(9) . . ?
C3 Ru2 C29 146.82(9) . . ?
C30 Ru2 C29 37.97(9) . . ?
C28 Ru2 C29 37.95(9) . . ?
C1 Ru2 C31 153.77(9) . . ?
C2 Ru2 C31 165.81(10) . . ?
C3 Ru2 C31 128.75(9) . . ?
C30 Ru2 C31 38.37(9) . . ?
C28 Ru2 C31 63.49(9) . . ?
C29 Ru2 C31 63.60(9) . . ?
C1 Ru2 C32 168.15(9) . . ?
C2 Ru2 C32 130.20(9) . . ?
C3 Ru2 C32 106.56(9) . . ?
C30 Ru2 C32 63.33(9) . . ?
C28 Ru2 C32 37.94(9) . . ?
C29 Ru2 C32 63.19(9) . . ?
C31 Ru2 C32 37.45(10) . . ?
C1 Ru2 N1 37.12(7) . . ?
C2 Ru2 N1 66.36(8) . . ?
C3 Ru2 N1 72.74(7) . . ?
C30 Ru2 N1 112.34(8) . . ?
C28 Ru2 N1 166.97(8) . . ?
C29 Ru2 N1 131.21(8) . . ?
C31 Ru2 N1 122.02(8) . . ?
C32 Ru2 N1 153.36(8) . . ?
C13 Ru1 N2 83.39(8) . . ?
C13 Ru1 N1 89.71(8) . . ?
N2 Ru1 N1 77.06(7) . . ?
C13 Ru1 C22 89.56(9) . . ?
N2 Ru1 C22 141.69(8) . . ?
N1 Ru1 C22 140.72(8) . . ?
C13 Ru1 C21 106.68(10) . . ?
N2 Ru1 C21 108.66(8) . . ?
N1 Ru1 C21 163.01(8) . . ?
C22 Ru1 C21 38.26(9) . . ?
C13 Ru1 C18 109.98(9) . . ?
N2 Ru1 C18 165.91(8) . . ?
N1 Ru1 C18 106.61(8) . . ?
C22 Ru1 C18 38.34(8) . . ?
C21 Ru1 C18 64.06(8) . . ?
C13 Ru1 C20 144.14(9) . . ?
N2 Ru1 C20 104.28(8) . . ?
N1 Ru1 C20 126.12(8) . . ?
C22 Ru1 C20 62.51(9) . . ?
C21 Ru1 C20 37.50(9) . . ?
C18 Ru1 C20 62.36(8) . . ?
C13 Ru1 C19 147.35(9) . . ?
N2 Ru1 C19 128.87(8) . . ?
N1 Ru1 C19 101.44(7) . . ?
C22 Ru1 C19 62.47(9) . . ?
C21 Ru1 C19 62.28(8) . . ?
C18 Ru1 C19 37.46(8) . . ?
C20 Ru1 C19 36.13(8) . . ?
C11 N2 C7 118.73(19) . . ?
C11 N2 Ru1 125.80(16) . . ?
C7 N2 Ru1 114.60(13) . . ?
N2 C7 C8 120.75(19) . . ?
N2 C7 C1 115.16(18) . . ?
C8 C7 C1 124.1(2) . . ?
C9 C8 C7 119.0(2) . . ?
C9 C8 H8 119.3(15) . . ?
C7 C8 H8 121.6(15) . . ?
C8 C9 C10 120.0(2) . . ?
C8 C9 C12 120.1(2) . . ?
C10 C9 C12 119.9(2) . . ?
C11 C10 C9 118.3(2) . . ?
C11 C10 H10 118(2) . . ?
C9 C10 H10 124(2) . . ?
N2 C11 C10 123.0(2) . . ?
N2 C11 H11 113.1(15) . . ?
C10 C11 H11 123.9(15) . . ?
F5 C12 F4 109.6(3) . . ?
F5 C12 F6 104.1(3) . . ?
F4 C12 F6 104.1(3) . . ?
F5 C12 C9 114.2(2) . . ?
F4 C12 C9 112.7(2) . . ?
F6 C12 C9 111.4(3) . . ?
C1 N1 C5 112.89(17) . . ?
C1 N1 Ru1 109.15(13) . . ?
C5 N1 Ru1 110.00(14) . . ?
C1 N1 Ru2 64.85(11) . . ?
C5 N1 Ru2 112.62(13) . . ?
Ru1 N1 Ru2 135.45(8) . . ?
N1 C1 C2 116.66(18) . . ?
N1 C1 C7 116.93(18) . . ?
C2 C1 C7 125.64(19) . . ?
N1 C1 Ru2 78.04(12) . . ?
C2 C1 Ru2 70.57(12) . . ?
C7 C1 Ru2 112.75(14) . . ?
C1 C2 C3 113.72(19) . . ?
C1 C2 Ru2 70.01(12) . . ?
C3 C2 Ru2 72.45(13) . . ?
C1 C2 H2 123.7(16) . . ?
C3 C2 H2 122.4(16) . . ?
Ru2 C2 H2 122.2(17) . . ?
C2 C3 C6 115.8(2) . . ?
C2 C3 C4 120.4(2) . . ?
C6 C3 C4 112.72(18) . . ?
C2 C3 Ru2 68.13(12) . . ?
C6 C3 Ru2 123.15(17) . . ?
C4 C3 Ru2 110.20(15) . . ?
C3 C4 C5 108.76(18) . . ?
C3 C4 H4A 110.8(18) . . ?
C5 C4 H4A 107.8(18) . . ?
C3 C4 H4B 114.2(17) . . ?
C5 C4 H4B 107.2(17) . . ?
H4A C4 H4B 108(2) . . ?
N1 C5 C4 112.75(19) . . ?
N1 C5 H5A 109.0(15) . . ?
C4 C5 H5A 109.5(16) . . ?
N1 C5 H5B 107(2) . . ?
C4 C5 H5B 108(2) . . ?
H5A C5 H5B 111(3) . . ?
F1 C6 F2 106.6(2) . . ?
F1 C6 F3 104.5(2) . . ?
F2 C6 F3 103.78(18) . . ?
F1 C6 C3 114.67(19) . . ?
F2 C6 C3 113.5(2) . . ?
F3 C6 C3 112.9(2) . . ?
N3 C13 Ru1 176.9(2) . . ?
C13 N3 C14 150.2(2) . . ?
N3 C14 C16 110.5(3) . . ?
N3 C14 C15 108.3(2) . . ?
C16 C14 C15 110.7(3) . . ?
N3 C14 C17 107.2(2) . . ?
C16 C14 C17 111.5(5) . . ?
C15 C14 C17 108.5(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C29 C28 C32 107.6(2) . . ?
C29 C28 C33 125.2(2) . . ?
C32 C28 C33 126.7(2) . . ?
C29 C28 Ru2 71.12(13) . . ?
C32 C28 Ru2 71.51(14) . . ?
C33 C28 Ru2 128.72(18) . . ?
C30 C29 C28 108.1(2) . . ?
C30 C29 C34 126.6(2) . . ?
C28 C29 C34 125.2(2) . . ?
C30 C29 Ru2 70.48(13) . . ?
C28 C29 Ru2 70.92(13) . . ?
C34 C29 Ru2 126.87(17) . . ?
C29 C30 C31 107.9(2) . . ?
C29 C30 C35 125.0(2) . . ?
C31 C30 C35 126.9(2) . . ?
C29 C30 Ru2 71.55(13) . . ?
C31 C30 Ru2 71.44(13) . . ?
C35 C30 Ru2 126.88(19) . . ?
C32 C31 C30 107.6(2) . . ?
C32 C31 C36 125.4(3) . . ?
C30 C31 C36 126.6(3) . . ?
C32 C31 Ru2 71.56(14) . . ?
C30 C31 Ru2 70.19(13) . . ?
C36 C31 Ru2 129.31(18) . . ?
C31 C32 C28 108.7(2) . . ?
C31 C32 C37 125.8(3) . . ?
C28 C32 C37 125.4(3) . . ?
C31 C32 Ru2 70.99(13) . . ?
C28 C32 Ru2 70.55(13) . . ?
C37 C32 Ru2 128.30(18) . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
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 . . ?
C22 C18 C19 107.11(19) . . ?
C22 C18 C23 126.5(2) . . ?
C19 C18 C23 125.3(2) . . ?
C22 C18 Ru1 70.04(12) . . ?
C19 C18 Ru1 74.60(12) . . ?
C23 C18 Ru1 130.07(16) . . ?
C20 C19 C18 108.5(2) . . ?
C20 C19 C24 128.2(2) . . ?
C18 C19 C24 123.2(2) . . ?
C20 C19 Ru1 71.89(13) . . ?
C18 C19 Ru1 67.93(12) . . ?
C24 C19 Ru1 128.05(17) . . ?
C19 C20 C21 108.3(2) . . ?
C19 C20 C25 127.7(2) . . ?
C21 C20 C25 123.8(2) . . ?
C19 C20 Ru1 71.98(13) . . ?
C21 C20 Ru1 67.76(13) . . ?
C25 C20 Ru1 129.70(17) . . ?
C22 C21 C20 107.4(2) . . ?
C22 C21 C26 125.9(2) . . ?
C20 C21 C26 125.5(2) . . ?
C22 C21 Ru1 70.28(13) . . ?
C20 C21 Ru1 74.74(13) . . ?
C26 C21 Ru1 129.99(17) . . ?
C21 C22 C18 108.5(2) . . ?
C21 C22 C27 125.6(2) . . ?
C18 C22 C27 125.8(2) . . ?
C21 C22 Ru1 71.46(13) . . ?
C18 C22 Ru1 71.62(13) . . ?
C27 C22 Ru1 126.35(17) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 . . ?

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
C11 N2 C7 C8 -6.1(3) . . . . ?
Ru1 N2 C7 C8 163.88(17) . . . . ?
C11 N2 C7 C1 174.2(2) . . . . ?
Ru1 N2 C7 C1 -15.8(2) . . . . ?
N2 C7 C8 C9 4.2(3) . . . . ?
C1 C7 C8 C9 -176.1(2) . . . . ?
C7 C8 C9 C10 0.4(4) . . . . ?
C7 C8 C9 C12 180.0(2) . . . . ?
C8 C9 C10 C11 -3.0(4) . . . . ?
C12 C9 C10 C11 177.4(3) . . . . ?
C7 N2 C11 C10 3.5(4) . . . . ?
Ru1 N2 C11 C10 -165.3(2) . . . . ?
C9 C10 C11 N2 1.1(4) . . . . ?
C8 C9 C12 F5 -9.4(4) . . . . ?
C10 C9 C12 F5 170.2(3) . . . . ?
C8 C9 C12 F4 -135.4(3) . . . . ?
C10 C9 C12 F4 44.2(4) . . . . ?
C8 C9 C12 F6 108.1(3) . . . . ?
C10 C9 C12 F6 -72.3(4) . . . . ?
C5 N1 C1 C2 -44.4(3) . . . . ?
Ru1 N1 C1 C2 -167.04(16) . . . . ?
Ru2 N1 C1 C2 60.87(17) . . . . ?
C5 N1 C1 C7 145.13(19) . . . . ?
Ru1 N1 C1 C7 22.5(2) . . . . ?
Ru2 N1 C1 C7 -109.62(18) . . . . ?
C5 N1 C1 Ru2 -105.25(16) . . . . ?
Ru1 N1 C1 Ru2 132.10(9) . . . . ?
N2 C7 C1 N1 -5.4(3) . . . . ?
C8 C7 C1 N1 174.9(2) . . . . ?
N2 C7 C1 C2 -174.9(2) . . . . ?
C8 C7 C1 C2 5.4(3) . . . . ?
N2 C7 C1 Ru2 -93.2(2) . . . . ?
C8 C7 C1 Ru2 87.2(2) . . . . ?
N1 C1 C2 C3 -5.7(3) . . . . ?
C7 C1 C2 C3 163.9(2) . . . . ?
Ru2 C1 C2 C3 59.31(17) . . . . ?
N1 C1 C2 Ru2 -64.97(17) . . . . ?
C7 C1 C2 Ru2 104.6(2) . . . . ?
C1 C2 C3 C6 -175.4(2) . . . . ?
Ru2 C2 C3 C6 -117.4(2) . . . . ?
C1 C2 C3 C4 43.4(3) . . . . ?
Ru2 C2 C3 C4 101.3(2) . . . . ?
C1 C2 C3 Ru2 -57.95(16) . . . . ?
C2 C3 C4 C5 -26.3(3) . . . . ?
C6 C3 C4 C5 -168.6(2) . . . . ?
Ru2 C3 C4 C5 49.6(2) . . . . ?
C1 N1 C5 C4 60.3(3) . . . . ?
Ru1 N1 C5 C4 -177.53(16) . . . . ?
Ru2 N1 C5 C4 -10.8(2) . . . . ?
C3 C4 C5 N1 -23.6(3) . . . . ?
C2 C3 C6 F1 37.6(3) . . . . ?
C4 C3 C6 F1 -178.2(2) . . . . ?
Ru2 C3 C6 F1 -42.1(3) . . . . ?
C2 C3 C6 F2 160.4(2) . . . . ?
C4 C3 C6 F2 -55.4(3) . . . . ?
Ru2 C3 C6 F2 80.7(2) . . . . ?
C2 C3 C6 F3 -81.9(3) . . . . ?
C4 C3 C6 F3 62.3(3) . . . . ?
Ru2 C3 C6 F3 -161.59(15) . . . . ?
C13 N3 C14 C16 118.5(5) . . . . ?
C13 N3 C14 C15 -2.8(6) . . . . ?
C13 N3 C14 C17 -119.7(6) . . . . ?
C32 C28 C29 C30 -1.6(3) . . . . ?
C33 C28 C29 C30 -174.4(2) . . . . ?
Ru2 C28 C29 C30 60.98(16) . . . . ?
C32 C28 C29 C34 175.2(2) . . . . ?
C33 C28 C29 C34 2.4(4) . . . . ?
Ru2 C28 C29 C34 -122.2(2) . . . . ?
C32 C28 C29 Ru2 -62.59(16) . . . . ?
C33 C28 C29 Ru2 124.6(3) . . . . ?
C28 C29 C30 C31 1.3(3) . . . . ?
C34 C29 C30 C31 -175.4(2) . . . . ?
Ru2 C29 C30 C31 62.59(16) . . . . ?
C28 C29 C30 C35 176.1(2) . . . . ?
C34 C29 C30 C35 -0.6(4) . . . . ?
Ru2 C29 C30 C35 -122.6(3) . . . . ?
C28 C29 C30 Ru2 -61.27(16) . . . . ?
C34 C29 C30 Ru2 122.0(2) . . . . ?
C29 C30 C31 C32 -0.5(3) . . . . ?
C35 C30 C31 C32 -175.2(2) . . . . ?
Ru2 C30 C31 C32 62.14(17) . . . . ?
C29 C30 C31 C36 172.5(2) . . . . ?
C35 C30 C31 C36 -2.2(4) . . . . ?
Ru2 C30 C31 C36 -124.8(3) . . . . ?
C29 C30 C31 Ru2 -62.66(16) . . . . ?
C35 C30 C31 Ru2 122.7(3) . . . . ?
C30 C31 C32 C28 -0.5(3) . . . . ?
C36 C31 C32 C28 -173.6(2) . . . . ?
Ru2 C31 C32 C28 60.77(16) . . . . ?
C30 C31 C32 C37 174.7(2) . . . . ?
C36 C31 C32 C37 1.6(4) . . . . ?
Ru2 C31 C32 C37 -124.0(3) . . . . ?
C30 C31 C32 Ru2 -61.25(16) . . . . ?
C36 C31 C32 Ru2 125.6(3) . . . . ?
C29 C28 C32 C31 1.3(3) . . . . ?
C33 C28 C32 C31 174.0(2) . . . . ?
Ru2 C28 C32 C31 -61.05(17) . . . . ?
C29 C28 C32 C37 -173.9(2) . . . . ?
C33 C28 C32 C37 -1.3(4) . . . . ?
Ru2 C28 C32 C37 123.7(3) . . . . ?
C29 C28 C32 Ru2 62.34(16) . . . . ?
C33 C28 C32 Ru2 -125.0(3) . . . . ?
C22 C18 C19 C20 -2.2(3) . . . . ?
C23 C18 C19 C20 -170.8(2) . . . . ?
Ru1 C18 C19 C20 60.67(16) . . . . ?
C22 C18 C19 C24 175.1(2) . . . . ?
C23 C18 C19 C24 6.6(4) . . . . ?
Ru1 C18 C19 C24 -122.0(2) . . . . ?
C22 C18 C19 Ru1 -62.92(15) . . . . ?
C23 C18 C19 Ru1 128.5(2) . . . . ?
C18 C19 C20 C21 0.0(3) . . . . ?
C24 C19 C20 C21 -177.2(2) . . . . ?
Ru1 C19 C20 C21 58.24(16) . . . . ?
C18 C19 C20 C25 175.1(2) . . . . ?
C24 C19 C20 C25 -2.1(4) . . . . ?
Ru1 C19 C20 C25 -126.7(2) . . . . ?
C18 C19 C20 Ru1 -58.22(15) . . . . ?
C24 C19 C20 Ru1 124.6(2) . . . . ?
C19 C20 C21 C22 2.2(3) . . . . ?
C25 C20 C21 C22 -173.1(2) . . . . ?
Ru1 C20 C21 C22 63.10(16) . . . . ?
C19 C20 C21 C26 170.6(2) . . . . ?
C25 C20 C21 C26 -4.7(4) . . . . ?
Ru1 C20 C21 C26 -128.6(2) . . . . ?
C19 C20 C21 Ru1 -60.87(16) . . . . ?
C25 C20 C21 Ru1 123.8(2) . . . . ?
C20 C21 C22 C18 -3.6(3) . . . . ?
C26 C21 C22 C18 -171.9(2) . . . . ?
Ru1 C21 C22 C18 62.42(16) . . . . ?
C20 C21 C22 C27 172.0(2) . . . . ?
C26 C21 C22 C27 3.8(4) . . . . ?
Ru1 C21 C22 C27 -121.9(2) . . . . ?
C20 C21 C22 Ru1 -66.06(16) . . . . ?
C26 C21 C22 Ru1 125.7(2) . . . . ?
C19 C18 C22 C21 3.6(3) . . . . ?
C23 C18 C22 C21 172.0(2) . . . . ?
Ru1 C18 C22 C21 -62.32(16) . . . . ?
C19 C18 C22 C27 -172.0(2) . . . . ?
C23 C18 C22 C27 -3.7(4) . . . . ?
Ru1 C18 C22 C27 122.0(2) . . . . ?
C19 C18 C22 Ru1 65.96(15) . . . . ?
C23 C18 C22 Ru1 -125.7(2) . . . . ?

_refine_diff_density_max         1.096
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.096

####################################################################### 
# 
# 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_7a
_database_code_depnum_ccdc_archive 'CCDC 1901045'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2019-03-05 deposited with the CCDC.	2019-04-26 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            'C32 H42 N2 Ru2'
_chemical_formula_weight         656.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   21.875(3)
_cell_length_b                   17.503(2)
_cell_length_c                   16.448(2)
_cell_angle_alpha                90
_cell_angle_beta                 112.870(8)
_cell_angle_gamma                90
_cell_volume                     5802.3(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    27425
_cell_measurement_theta_min      3.031
_cell_measurement_theta_max      27.425

_exptl_crystal_description       platelet
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_F_000             2688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.147
_exptl_crystal_size_min          0.034
_exptl_absorpt_coefficient_mu    1.063
_shelx_estimated_absorpt_T_min   0.856
_shelx_estimated_absorpt_T_max   0.965
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.8647
_exptl_absorpt_correction_T_max  0.9402
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_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            26900
_diffrn_reflns_av_unetI/netI     0.1070
_diffrn_reflns_av_R_equivalents  0.1264
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.031
_diffrn_reflns_theta_max         27.425
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6557
_reflns_number_gt                3670
_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-2016/4 (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)+(0.0430P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6557
_refine_ls_number_parameters     337
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1230
_refine_ls_wR_factor_gt          0.1018
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_restrained_S_all      0.956
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru2 Ru 0.68736(2) 0.51569(3) 0.72278(3) 0.02888(13) Uani 1 1 d . . . . .
Ru1 Ru 0.81841(2) 0.51554(3) 0.71711(3) 0.02845(13) Uani 1 1 d . . . . .
N1 N 0.7406(2) 0.4405(2) 0.6596(3) 0.0295(11) Uani 1 1 d . . . . .
N2 N 0.7377(2) 0.5848(3) 0.6484(3) 0.0317(11) Uani 1 1 d . . . . .
C1 C 0.6799(3) 0.4679(3) 0.5948(4) 0.0316(13) Uani 1 1 d . . . . .
C2 C 0.6293(3) 0.4158(3) 0.5385(4) 0.0343(14) Uani 1 1 d . . . . .
H2 H 0.590480 0.435420 0.493219 0.041 Uiso 1 1 calc R U . . .
C3 C 0.6377(3) 0.3384(3) 0.5509(4) 0.0382(15) Uani 1 1 d . . . . .
C4 C 0.6972(3) 0.3119(3) 0.6224(4) 0.0380(15) Uani 1 1 d . . . . .
H4 H 0.703147 0.258702 0.634031 0.046 Uiso 1 1 calc R U . . .
C5 C 0.7441(3) 0.3607(3) 0.6729(4) 0.0373(14) Uani 1 1 d . . . . .
H5 H 0.781501 0.340356 0.719884 0.045 Uiso 1 1 calc R U . . .
C6 C 0.5884(3) 0.2819(4) 0.4909(5) 0.0494(17) Uani 1 1 d . . . . .
H6A H 0.569738 0.251149 0.525444 0.074 Uiso 1 1 calc R U . . .
H6B H 0.610867 0.248389 0.463526 0.074 Uiso 1 1 calc R U . . .
H6C H 0.552674 0.309664 0.444845 0.074 Uiso 1 1 calc R U . . .
C7 C 0.6782(3) 0.5500(3) 0.5898(4) 0.0298(12) Uani 1 1 d . . . . .
C8 C 0.6242(3) 0.5940(3) 0.5293(4) 0.0325(13) Uani 1 1 d . . . . .
H8 H 0.585398 0.568686 0.490477 0.039 Uiso 1 1 calc R U . . .
C9 C 0.6278(3) 0.6714(3) 0.5270(4) 0.0358(14) Uani 1 1 d . . . . .
C10 C 0.6868(3) 0.7072(3) 0.5895(5) 0.0421(16) Uani 1 1 d . . . . .
H10 H 0.690279 0.761361 0.590261 0.050 Uiso 1 1 calc R U . . .
C11 C 0.7372(3) 0.6655(3) 0.6472(4) 0.0387(15) Uani 1 1 d . . . . .
H11 H 0.774047 0.691771 0.688860 0.046 Uiso 1 1 calc R U . . .
C12 C 0.5732(3) 0.7204(3) 0.4631(4) 0.0467(16) Uani 1 1 d . . . . .
H12A H 0.534201 0.688708 0.431968 0.070 Uiso 1 1 calc R U . . .
H12B H 0.588747 0.743609 0.420339 0.070 Uiso 1 1 calc R U . . .
H12C H 0.561441 0.760785 0.495742 0.070 Uiso 1 1 calc R U . . .
C13 C 0.9082(2) 0.4599(3) 0.7225(4) 0.0309(13) Uani 1 1 d . . . . .
C14 C 0.9076(2) 0.5402(3) 0.6957(4) 0.0324(13) Uani 1 1 d . . . . .
C15 C 0.9077(3) 0.5862(3) 0.7689(4) 0.0313(13) Uani 1 1 d . . . . .
C16 C 0.9056(3) 0.5362(3) 0.8370(4) 0.0325(14) Uani 1 1 d . . . . .
C17 C 0.9064(3) 0.4572(3) 0.8078(4) 0.0320(13) Uani 1 1 d . . . . .
C18 C 0.9102(3) 0.3929(3) 0.6664(4) 0.0388(15) Uani 1 1 d . . . . .
H18A H 0.956425 0.380553 0.677459 0.058 Uiso 1 1 calc R U . . .
H18B H 0.886446 0.405838 0.604013 0.058 Uiso 1 1 calc R U . . .
H18C H 0.888997 0.348762 0.681279 0.058 Uiso 1 1 calc R U . . .
C19 C 0.9117(3) 0.5683(4) 0.6124(4) 0.0418(15) Uani 1 1 d . . . . .
H19A H 0.888655 0.617421 0.596076 0.063 Uiso 1 1 calc R U . . .
H19B H 0.890690 0.531090 0.565182 0.063 Uiso 1 1 calc R U . . .
H19C H 0.958309 0.574737 0.621195 0.063 Uiso 1 1 calc R U . . .
C20 C 0.9140(3) 0.6722(3) 0.7749(4) 0.0384(14) Uani 1 1 d . . . . .
H20A H 0.961035 0.686394 0.800340 0.058 Uiso 1 1 calc R U . . .
H20B H 0.892075 0.691657 0.812600 0.058 Uiso 1 1 calc R U . . .
H20C H 0.892957 0.694411 0.715808 0.058 Uiso 1 1 calc R U . . .
C21 C 0.9099(3) 0.5608(4) 0.9253(4) 0.0415(15) Uani 1 1 d . . . . .
H21A H 0.955939 0.557028 0.967682 0.062 Uiso 1 1 calc R U . . .
H21B H 0.881731 0.527712 0.944316 0.062 Uiso 1 1 calc R U . . .
H21C H 0.894700 0.613763 0.922228 0.062 Uiso 1 1 calc R U . . .
C22 C 0.9117(3) 0.3872(3) 0.8638(4) 0.0407(15) Uani 1 1 d . . . . .
H22A H 0.893787 0.342890 0.825514 0.061 Uiso 1 1 calc R U . . .
H22B H 0.886403 0.395326 0.900890 0.061 Uiso 1 1 calc R U . . .
H22C H 0.958384 0.377979 0.901408 0.061 Uiso 1 1 calc R U . . .
C23 C 0.5937(3) 0.5223(4) 0.7362(4) 0.0406(15) Uani 1 1 d . . . . .
C24 C 0.6268(3) 0.4533(4) 0.7767(4) 0.0396(15) Uani 1 1 d . . . . .
C25 C 0.6872(3) 0.4754(4) 0.8490(4) 0.0440(16) Uani 1 1 d . . . . .
C26 C 0.6899(3) 0.5561(4) 0.8513(4) 0.0430(16) Uani 1 1 d . . . . .
C27 C 0.6321(3) 0.5860(3) 0.7793(5) 0.0420(16) Uani 1 1 d . . . . .
C28 C 0.5278(3) 0.5257(6) 0.6570(5) 0.082(3) Uani 1 1 d . . . . .
H28A H 0.491746 0.533581 0.677368 0.122 Uiso 1 1 calc R U . . .
H28B H 0.520680 0.477582 0.624069 0.122 Uiso 1 1 calc R U . . .
H28C H 0.528620 0.568097 0.618478 0.122 Uiso 1 1 calc R U . . .
C29 C 0.6023(4) 0.3728(4) 0.7549(6) 0.082(3) Uani 1 1 d . . . . .
H29A H 0.571306 0.360998 0.783094 0.124 Uiso 1 1 calc R U . . .
H29B H 0.639960 0.337512 0.776572 0.124 Uiso 1 1 calc R U . . .
H29C H 0.579525 0.367360 0.690803 0.124 Uiso 1 1 calc R U . . .
C30 C 0.7369(4) 0.4215(5) 0.9127(5) 0.079(3) Uani 1 1 d . . . . .
H30A H 0.781891 0.437151 0.920790 0.119 Uiso 1 1 calc R U . . .
H30B H 0.728686 0.369403 0.888982 0.119 Uiso 1 1 calc R U . . .
H30C H 0.732310 0.422903 0.969633 0.119 Uiso 1 1 calc R U . . .
C31 C 0.7429(4) 0.6031(5) 0.9212(5) 0.082(3) Uani 1 1 d . . . . .
H31A H 0.722013 0.645994 0.938885 0.123 Uiso 1 1 calc R U . . .
H31B H 0.774435 0.622623 0.897265 0.123 Uiso 1 1 calc R U . . .
H31C H 0.766412 0.570890 0.972739 0.123 Uiso 1 1 calc R U . . .
C32 C 0.6161(5) 0.6683(4) 0.7625(7) 0.087(3) Uani 1 1 d . . . . .
H32A H 0.596298 0.677448 0.698683 0.131 Uiso 1 1 calc R U . . .
H32B H 0.656742 0.698532 0.788894 0.131 Uiso 1 1 calc R U . . .
H32C H 0.584534 0.683253 0.788629 0.131 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru2 C23 2.146(5) . ?
Ru2 C24 2.156(5) . ?
Ru2 C27 2.171(6) . ?
Ru2 C25 2.194(6) . ?
Ru2 C7 2.201(6) . ?
Ru2 C26 2.208(6) . ?
Ru2 C1 2.211(6) . ?
Ru2 N1 2.260(4) . ?
Ru2 N2 2.285(4) . ?
Ru2 Ru1 2.9042(7) . ?
Ru1 N1 2.066(4) . ?
Ru1 N2 2.077(4) . ?
Ru1 C14 2.156(5) . ?
Ru1 C13 2.163(5) . ?
Ru1 C16 2.176(5) . ?
Ru1 C17 2.177(5) . ?
Ru1 C15 2.186(5) . ?
N1 C5 1.411(7) . ?
N1 C1 1.424(6) . ?
N2 C11 1.412(7) . ?
N2 C7 1.420(7) . ?
C1 C7 1.438(7) . ?
C1 C2 1.455(7) . ?
C2 C3 1.373(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.449(8) . ?
C3 C6 1.512(8) . ?
C4 C5 1.344(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.438(7) . ?
C8 C9 1.358(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.443(8) . ?
C9 C12 1.514(8) . ?
C10 C11 1.356(8) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C17 1.420(8) . ?
C13 C14 1.472(8) . ?
C13 C18 1.502(8) . ?
C14 C15 1.446(8) . ?
C14 C19 1.491(8) . ?
C15 C16 1.438(8) . ?
C15 C20 1.511(7) . ?
C16 C17 1.465(8) . ?
C16 C21 1.482(8) . ?
C17 C22 1.510(8) . ?
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 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C27 1.411(8) . ?
C23 C24 1.431(9) . ?
C23 C28 1.523(9) . ?
C24 C25 1.445(8) . ?
C24 C29 1.501(9) . ?
C25 C26 1.413(9) . ?
C25 C30 1.512(9) . ?
C26 C27 1.452(9) . ?
C26 C31 1.519(9) . ?
C27 C32 1.483(9) . ?
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 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 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
C23 Ru2 C24 38.9(2) . . ?
C23 Ru2 C27 38.1(2) . . ?
C24 Ru2 C27 65.0(2) . . ?
C23 Ru2 C25 64.4(2) . . ?
C24 Ru2 C25 38.8(2) . . ?
C27 Ru2 C25 64.6(2) . . ?
C23 Ru2 C7 111.5(2) . . ?
C24 Ru2 C7 135.6(2) . . ?
C27 Ru2 C7 114.9(2) . . ?
C25 Ru2 C7 174.3(2) . . ?
C23 Ru2 C26 63.6(2) . . ?
C24 Ru2 C26 63.8(2) . . ?
C27 Ru2 C26 38.7(2) . . ?
C25 Ru2 C26 37.5(2) . . ?
C7 Ru2 C26 145.3(2) . . ?
C23 Ru2 C1 113.4(2) . . ?
C24 Ru2 C1 111.7(2) . . ?
C27 Ru2 C1 140.8(2) . . ?
C25 Ru2 C1 138.8(2) . . ?
C7 Ru2 C1 38.06(19) . . ?
C26 Ru2 C1 175.6(2) . . ?
C23 Ru2 N1 139.5(2) . . ?
C24 Ru2 N1 113.8(2) . . ?
C27 Ru2 N1 177.5(2) . . ?
C25 Ru2 N1 116.0(2) . . ?
C7 Ru2 N1 64.28(18) . . ?
C26 Ru2 N1 143.2(2) . . ?
C1 Ru2 N1 37.12(17) . . ?
C23 Ru2 N2 134.8(2) . . ?
C24 Ru2 N2 171.7(2) . . ?
C27 Ru2 N2 113.2(2) . . ?
C25 Ru2 N2 148.8(2) . . ?
C7 Ru2 N2 36.85(18) . . ?
C26 Ru2 N2 120.3(2) . . ?
C1 Ru2 N2 64.08(18) . . ?
N1 Ru2 N2 67.71(16) . . ?
C23 Ru2 Ru1 175.19(18) . . ?
C24 Ru2 Ru1 141.73(18) . . ?
C27 Ru2 Ru1 137.30(18) . . ?
C25 Ru2 Ru1 113.26(15) . . ?
C7 Ru2 Ru1 71.20(14) . . ?
C26 Ru2 Ru1 111.90(15) . . ?
C1 Ru2 Ru1 71.19(14) . . ?
N1 Ru2 Ru1 45.05(11) . . ?
N2 Ru2 Ru1 45.26(11) . . ?
N1 Ru1 N2 75.35(17) . . ?
N1 Ru1 C14 133.6(2) . . ?
N2 Ru1 C14 115.2(2) . . ?
N1 Ru1 C13 107.81(19) . . ?
N2 Ru1 C13 148.4(2) . . ?
C14 Ru1 C13 39.8(2) . . ?
N1 Ru1 C16 142.8(2) . . ?
N2 Ru1 C16 131.1(2) . . ?
C14 Ru1 C16 65.5(2) . . ?
C13 Ru1 C16 64.9(2) . . ?
N1 Ru1 C17 111.5(2) . . ?
N2 Ru1 C17 170.0(2) . . ?
C14 Ru1 C17 65.9(2) . . ?
C13 Ru1 C17 38.2(2) . . ?
C16 Ru1 C17 39.4(2) . . ?
N1 Ru1 C15 172.27(19) . . ?
N2 Ru1 C15 108.9(2) . . ?
C14 Ru1 C15 38.9(2) . . ?
C13 Ru1 C15 65.1(2) . . ?
C16 Ru1 C15 38.5(2) . . ?
C17 Ru1 C15 65.2(2) . . ?
N1 Ru1 Ru2 50.74(12) . . ?
N2 Ru1 Ru2 51.39(12) . . ?
C14 Ru1 Ru2 166.40(16) . . ?
C13 Ru1 Ru2 153.00(15) . . ?
C16 Ru1 Ru2 119.94(15) . . ?
C17 Ru1 Ru2 126.79(15) . . ?
C15 Ru1 Ru2 136.97(15) . . ?
C5 N1 C1 115.4(4) . . ?
C5 N1 Ru1 125.0(3) . . ?
C1 N1 Ru1 119.4(3) . . ?
C5 N1 Ru2 120.8(4) . . ?
C1 N1 Ru2 69.5(3) . . ?
Ru1 N1 Ru2 84.20(16) . . ?
C11 N2 C7 114.8(5) . . ?
C11 N2 Ru1 126.3(4) . . ?
C7 N2 Ru1 118.6(3) . . ?
C11 N2 Ru2 122.3(4) . . ?
C7 N2 Ru2 68.4(3) . . ?
Ru1 N2 Ru2 83.35(16) . . ?
N1 C1 C7 112.1(5) . . ?
N1 C1 C2 121.5(5) . . ?
C7 C1 C2 126.4(5) . . ?
N1 C1 Ru2 73.3(3) . . ?
C7 C1 Ru2 70.6(3) . . ?
C2 C1 Ru2 126.8(4) . . ?
C3 C2 C1 119.9(5) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 117.5(5) . . ?
C2 C3 C6 121.9(6) . . ?
C4 C3 C6 120.6(5) . . ?
C5 C4 C3 121.8(5) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C4 C5 N1 123.4(5) . . ?
C4 C5 H5 118.3 . . ?
N1 C5 H5 118.3 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 122.0(5) . . ?
N2 C7 C1 113.2(4) . . ?
C8 C7 C1 124.8(5) . . ?
N2 C7 Ru2 74.8(3) . . ?
C8 C7 Ru2 124.5(4) . . ?
C1 C7 Ru2 71.3(3) . . ?
C9 C8 C7 120.8(5) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 117.4(5) . . ?
C8 C9 C12 123.1(5) . . ?
C10 C9 C12 119.5(5) . . ?
C11 C10 C9 121.5(5) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 N2 123.3(6) . . ?
C10 C11 H11 118.4 . . ?
N2 C11 H11 118.4 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C17 C13 C14 109.1(5) . . ?
C17 C13 C18 126.8(6) . . ?
C14 C13 C18 124.1(5) . . ?
C17 C13 Ru1 71.4(3) . . ?
C14 C13 Ru1 69.8(3) . . ?
C18 C13 Ru1 124.7(4) . . ?
C15 C14 C13 106.6(5) . . ?
C15 C14 C19 126.8(5) . . ?
C13 C14 C19 126.3(5) . . ?
C15 C14 Ru1 71.7(3) . . ?
C13 C14 Ru1 70.3(3) . . ?
C19 C14 Ru1 126.7(4) . . ?
C16 C15 C14 108.6(5) . . ?
C16 C15 C20 125.8(5) . . ?
C14 C15 C20 125.5(5) . . ?
C16 C15 Ru1 70.4(3) . . ?
C14 C15 Ru1 69.4(3) . . ?
C20 C15 Ru1 129.3(4) . . ?
C15 C16 C17 108.1(5) . . ?
C15 C16 C21 125.3(5) . . ?
C17 C16 C21 126.2(5) . . ?
C15 C16 Ru1 71.1(3) . . ?
C17 C16 Ru1 70.4(3) . . ?
C21 C16 Ru1 129.5(4) . . ?
C13 C17 C16 107.5(5) . . ?
C13 C17 C22 127.2(6) . . ?
C16 C17 C22 125.0(5) . . ?
C13 C17 Ru1 70.4(3) . . ?
C16 C17 Ru1 70.3(3) . . ?
C22 C17 Ru1 129.6(4) . . ?
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 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C27 C23 C24 109.8(5) . . ?
C27 C23 C28 125.5(6) . . ?
C24 C23 C28 124.8(6) . . ?
C27 C23 Ru2 71.9(3) . . ?
C24 C23 Ru2 71.0(3) . . ?
C28 C23 Ru2 122.6(4) . . ?
C23 C24 C25 107.0(5) . . ?
C23 C24 C29 127.7(6) . . ?
C25 C24 C29 125.1(7) . . ?
C23 C24 Ru2 70.2(3) . . ?
C25 C24 Ru2 72.0(3) . . ?
C29 C24 Ru2 126.6(5) . . ?
C26 C25 C24 107.7(6) . . ?
C26 C25 C30 126.4(7) . . ?
C24 C25 C30 125.8(7) . . ?
C26 C25 Ru2 71.8(4) . . ?
C24 C25 Ru2 69.2(3) . . ?
C30 C25 Ru2 126.3(4) . . ?
C25 C26 C27 108.9(5) . . ?
C25 C26 C31 125.0(7) . . ?
C27 C26 C31 126.0(7) . . ?
C25 C26 Ru2 70.7(4) . . ?
C27 C26 Ru2 69.3(4) . . ?
C31 C26 Ru2 128.8(4) . . ?
C23 C27 C26 106.5(5) . . ?
C23 C27 C32 128.5(7) . . ?
C26 C27 C32 124.8(7) . . ?
C23 C27 Ru2 70.0(3) . . ?
C26 C27 Ru2 72.0(3) . . ?
C32 C27 Ru2 127.0(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 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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 N1 C1 C7 175.7(5) . . . . ?
Ru1 N1 C1 C7 -10.2(6) . . . . ?
Ru2 N1 C1 C7 60.3(4) . . . . ?
C5 N1 C1 C2 -8.0(8) . . . . ?
Ru1 N1 C1 C2 166.1(4) . . . . ?
Ru2 N1 C1 C2 -123.4(5) . . . . ?
C5 N1 C1 Ru2 115.3(4) . . . . ?
Ru1 N1 C1 Ru2 -70.5(3) . . . . ?
N1 C1 C2 C3 4.1(8) . . . . ?
C7 C1 C2 C3 179.8(6) . . . . ?
Ru2 C1 C2 C3 -88.1(6) . . . . ?
C1 C2 C3 C4 1.5(8) . . . . ?
C1 C2 C3 C6 -176.5(6) . . . . ?
C2 C3 C4 C5 -2.8(9) . . . . ?
C6 C3 C4 C5 175.3(6) . . . . ?
C3 C4 C5 N1 -1.6(10) . . . . ?
C1 N1 C5 C4 6.9(8) . . . . ?
Ru1 N1 C5 C4 -166.9(5) . . . . ?
Ru2 N1 C5 C4 87.3(7) . . . . ?
C11 N2 C7 C8 4.7(8) . . . . ?
Ru1 N2 C7 C8 -169.6(4) . . . . ?
Ru2 N2 C7 C8 121.4(5) . . . . ?
C11 N2 C7 C1 -178.2(5) . . . . ?
Ru1 N2 C7 C1 7.5(6) . . . . ?
Ru2 N2 C7 C1 -61.5(4) . . . . ?
C11 N2 C7 Ru2 -116.7(4) . . . . ?
Ru1 N2 C7 Ru2 69.0(3) . . . . ?
N1 C1 C7 N2 1.6(7) . . . . ?
C2 C1 C7 N2 -174.5(5) . . . . ?
Ru2 C1 C7 N2 63.5(4) . . . . ?
N1 C1 C7 C8 178.6(5) . . . . ?
C2 C1 C7 C8 2.5(9) . . . . ?
Ru2 C1 C7 C8 -119.5(6) . . . . ?
N1 C1 C7 Ru2 -61.9(4) . . . . ?
C2 C1 C7 Ru2 122.0(6) . . . . ?
N2 C7 C8 C9 -0.9(9) . . . . ?
C1 C7 C8 C9 -177.6(5) . . . . ?
Ru2 C7 C8 C9 92.1(6) . . . . ?
C7 C8 C9 C10 -2.2(9) . . . . ?
C7 C8 C9 C12 178.3(6) . . . . ?
C8 C9 C10 C11 1.3(9) . . . . ?
C12 C9 C10 C11 -179.2(6) . . . . ?
C9 C10 C11 N2 2.9(10) . . . . ?
C7 N2 C11 C10 -5.7(8) . . . . ?
Ru1 N2 C11 C10 168.1(5) . . . . ?
Ru2 N2 C11 C10 -84.9(7) . . . . ?
C17 C13 C14 C15 2.0(6) . . . . ?
C18 C13 C14 C15 -178.2(5) . . . . ?
Ru1 C13 C14 C15 62.9(4) . . . . ?
C17 C13 C14 C19 177.5(5) . . . . ?
C18 C13 C14 C19 -2.7(8) . . . . ?
Ru1 C13 C14 C19 -121.6(5) . . . . ?
C17 C13 C14 Ru1 -60.9(4) . . . . ?
C18 C13 C14 Ru1 118.9(5) . . . . ?
C13 C14 C15 C16 -2.4(6) . . . . ?
C19 C14 C15 C16 -177.8(5) . . . . ?
Ru1 C14 C15 C16 59.6(4) . . . . ?
C13 C14 C15 C20 173.7(5) . . . . ?
C19 C14 C15 C20 -1.8(9) . . . . ?
Ru1 C14 C15 C20 -124.3(5) . . . . ?
C13 C14 C15 Ru1 -62.0(3) . . . . ?
C19 C14 C15 Ru1 122.5(6) . . . . ?
C14 C15 C16 C17 1.9(6) . . . . ?
C20 C15 C16 C17 -174.1(5) . . . . ?
Ru1 C15 C16 C17 61.0(4) . . . . ?
C14 C15 C16 C21 175.4(5) . . . . ?
C20 C15 C16 C21 -0.6(9) . . . . ?
Ru1 C15 C16 C21 -125.5(5) . . . . ?
C14 C15 C16 Ru1 -59.1(4) . . . . ?
C20 C15 C16 Ru1 124.9(5) . . . . ?
C14 C13 C17 C16 -0.9(6) . . . . ?
C18 C13 C17 C16 179.3(5) . . . . ?
Ru1 C13 C17 C16 -60.8(3) . . . . ?
C14 C13 C17 C22 -174.7(5) . . . . ?
C18 C13 C17 C22 5.5(9) . . . . ?
Ru1 C13 C17 C22 125.3(5) . . . . ?
C14 C13 C17 Ru1 59.9(3) . . . . ?
C18 C13 C17 Ru1 -119.9(5) . . . . ?
C15 C16 C17 C13 -0.6(6) . . . . ?
C21 C16 C17 C13 -174.1(5) . . . . ?
Ru1 C16 C17 C13 60.8(4) . . . . ?
C15 C16 C17 C22 173.4(5) . . . . ?
C21 C16 C17 C22 0.0(8) . . . . ?
Ru1 C16 C17 C22 -125.1(5) . . . . ?
C15 C16 C17 Ru1 -61.5(4) . . . . ?
C21 C16 C17 Ru1 125.1(6) . . . . ?
C27 C23 C24 C25 1.3(7) . . . . ?
C28 C23 C24 C25 -180.0(5) . . . . ?
Ru2 C23 C24 C25 63.0(4) . . . . ?
C27 C23 C24 C29 176.7(6) . . . . ?
C28 C23 C24 C29 -4.5(10) . . . . ?
Ru2 C23 C24 C29 -121.5(7) . . . . ?
C27 C23 C24 Ru2 -61.7(4) . . . . ?
C28 C23 C24 Ru2 117.0(6) . . . . ?
C23 C24 C25 C26 0.0(6) . . . . ?
C29 C24 C25 C26 -175.6(6) . . . . ?
Ru2 C24 C25 C26 61.9(4) . . . . ?
C23 C24 C25 C30 177.8(6) . . . . ?
C29 C24 C25 C30 2.2(10) . . . . ?
Ru2 C24 C25 C30 -120.4(6) . . . . ?
C23 C24 C25 Ru2 -61.8(4) . . . . ?
C29 C24 C25 Ru2 122.6(6) . . . . ?
C24 C25 C26 C27 -1.3(7) . . . . ?
C30 C25 C26 C27 -179.0(6) . . . . ?
Ru2 C25 C26 C27 58.9(4) . . . . ?
C24 C25 C26 C31 175.4(6) . . . . ?
C30 C25 C26 C31 -2.3(10) . . . . ?
Ru2 C25 C26 C31 -124.4(6) . . . . ?
C24 C25 C26 Ru2 -60.2(4) . . . . ?
C30 C25 C26 Ru2 122.1(6) . . . . ?
C24 C23 C27 C26 -2.1(7) . . . . ?
C28 C23 C27 C26 179.2(6) . . . . ?
Ru2 C23 C27 C26 -63.2(4) . . . . ?
C24 C23 C27 C32 -177.0(6) . . . . ?
C28 C23 C27 C32 4.3(11) . . . . ?
Ru2 C23 C27 C32 121.8(7) . . . . ?
C24 C23 C27 Ru2 61.2(4) . . . . ?
C28 C23 C27 Ru2 -117.6(6) . . . . ?
C25 C26 C27 C23 2.1(7) . . . . ?
C31 C26 C27 C23 -174.6(6) . . . . ?
Ru2 C26 C27 C23 61.8(4) . . . . ?
C25 C26 C27 C32 177.3(6) . . . . ?
C31 C26 C27 C32 0.6(10) . . . . ?
Ru2 C26 C27 C32 -123.0(6) . . . . ?
C25 C26 C27 Ru2 -59.8(4) . . . . ?
C31 C26 C27 Ru2 123.6(6) . . . . ?

_refine_diff_density_max         1.070
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.124

####################################################################### 
# 
# 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_5c
_database_code_depnum_ccdc_archive 'CCDC 1901043'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2019-03-05 deposited with the CCDC.	2019-04-26 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            'C36 H48 N2 O4 Ru2'
_chemical_formula_weight         774.90

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

_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                   16.0588(4)
_cell_length_b                   19.8061(4)
_cell_length_c                   10.6735(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3394.84(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    32889
_cell_measurement_theta_min      3.079
_cell_measurement_theta_max      27.482

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_F_000             1592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    0.930
_shelx_estimated_absorpt_T_min   0.761
_shelx_estimated_absorpt_T_max   0.822
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.8109
_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            31156
_diffrn_reflns_av_unetI/netI     0.0125
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.079
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             3969
_reflns_number_gt                3752
_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-2016/4 (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)+(0.0307P)²+3.1173P] 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       0.0057(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3969
_refine_ls_number_parameters     246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0228
_refine_ls_wR_factor_ref         0.0589
_refine_ls_wR_factor_gt          0.0581
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.75550(2) 0.750000 0.62981(2) 0.01201(7) Uani 1 2 d S T P A .
Ru2 Ru 0.81455(2) 0.750000 0.88695(2) 0.01413(7) Uani 1 2 d S T P A .
N1 N 0.72497(8) 0.68622(7) 0.77498(12) 0.0138(3) Uani 1 1 d . . . . .
C1 C 0.68628(10) 0.71404(9) 0.88113(14) 0.0141(3) Uani 1 1 d . . . . .
C2 C 0.65111(10) 0.67200(8) 0.97779(15) 0.0151(3) Uani 1 1 d . . . . .
H2A H 0.6179(13) 0.6923(10) 1.043(2) 0.022(5) Uiso 1 1 d . . . . .
C3 C 0.66334(11) 0.60430(9) 0.97700(16) 0.0188(3) Uani 1 1 d . . . . .
C4 C 0.7247(3) 0.5753(2) 0.8869(4) 0.0192(11) Uiso 0.5 1 d . . P A 1
H4A H 0.782(3) 0.573(3) 0.920(5) 0.036(13) Uiso 0.5 1 d . . P B 1
C5 C 0.7209(3) 0.6124(2) 0.7641(4) 0.0168(12) Uiso 0.5 1 d . . P A 1
H5A H 0.669(3) 0.601(2) 0.727(4) 0.027(11) Uiso 0.5 1 d . . P C 1
C4A C 0.7050(3) 0.5745(2) 0.8688(4) 0.0174(10) Uiso 0.5 1 d . . P A 2
C5A C 0.7381(3) 0.6161(2) 0.7788(4) 0.0165(12) Uiso 0.5 1 d . . P A 2
H4B H 0.7127(15) 0.5277(13) 0.867(2) 0.028(6) Uiso 1 1 d . . . . .
H5B H 0.7654(13) 0.5988(11) 0.707(2) 0.022(5) Uiso 1 1 d . . . . .
C6 C 0.63206(11) 0.56009(9) 1.07830(17) 0.0207(3) Uani 1 1 d . . . . .
O1 O 0.65070(10) 0.50109(7) 1.09016(15) 0.0351(3) Uani 1 1 d . . . . .
O2 O 0.58064(8) 0.59262(6) 1.15753(12) 0.0219(3) Uani 1 1 d . . . . .
C7 C 0.54527(12) 0.55261(10) 1.25846(18) 0.0264(4) Uani 1 1 d . . . . .
H7A H 0.527500 0.582948 1.327167 0.032 Uiso 1 1 calc R U . . .
H7B H 0.588374 0.521772 1.291959 0.032 Uiso 1 1 calc R U . . .
C8 C 0.47174(13) 0.51190(12) 1.2143(2) 0.0352(5) Uani 1 1 d . . . . .
H8A H 0.445699 0.489401 1.286067 0.053 Uiso 1 1 calc R U . . .
H8B H 0.490484 0.477897 1.153838 0.053 Uiso 1 1 calc R U . . .
H8C H 0.431174 0.541895 1.174200 0.053 Uiso 1 1 calc R U . . .
C9 C 0.70326(14) 0.750000 0.4441(2) 0.0161(4) Uani 1 2 d S T P A .
C10 C 0.75500(10) 0.69106(9) 0.45914(15) 0.0164(3) Uani 1 1 d . . . . .
C11 C 0.83775(10) 0.71320(8) 0.48558(15) 0.0161(3) Uani 1 1 d . . . . .
C12 C 0.61445(16) 0.750000 0.4015(3) 0.0242(5) Uani 1 2 d S T P A .
H12A H 0.610(2) 0.750000 0.313(4) 0.032(9) Uiso 1 2 d S . P . .
H12B H 0.5838(16) 0.7129(12) 0.430(3) 0.041(7) Uiso 1 1 d . . . . .
C13 C 0.72606(12) 0.61967(9) 0.44179(17) 0.0241(4) Uani 1 1 d . . . . .
H13A H 0.671421 0.613948 0.481273 0.036 Uiso 1 1 calc R U . . .
H13B H 0.766109 0.588761 0.480653 0.036 Uiso 1 1 calc R U . . .
H13C H 0.721749 0.609652 0.352110 0.036 Uiso 1 1 calc R U . . .
C14 C 0.91301(11) 0.66944(10) 0.49995(17) 0.0245(4) Uani 1 1 d . . . . .
H14A H 0.951693 0.690390 0.559376 0.037 Uiso 1 1 calc R U . . .
H14B H 0.940458 0.664255 0.418512 0.037 Uiso 1 1 calc R U . . .
H14C H 0.896206 0.624991 0.531381 0.037 Uiso 1 1 calc R U . . .
C15 C 0.95120(16) 0.750000 0.8840(2) 0.0310(7) Uani 1 2 d S T P A .
C16 C 0.92117(11) 0.69178(11) 0.94850(17) 0.0266(4) Uani 1 1 d . . . . .
C17 C 0.87438(10) 0.71380(10) 1.05591(16) 0.0214(4) Uani 1 1 d . . . . .
C18 C 1.0165(2) 0.750000 0.7845(3) 0.0563(13) Uani 1 2 d S T P A .
H18A H 1.073(2) 0.750000 0.829(4) 0.040(10) Uiso 1 2 d S . P . .
H18B H 1.009(2) 0.7172(17) 0.735(3) 0.074(11) Uiso 1 1 d . . . . .
C19 C 0.94143(18) 0.62049(15) 0.9141(3) 0.0531(7) Uani 1 1 d . . . . .
H19A H 0.903493 0.589782 0.957939 0.080 Uiso 1 1 calc R U . . .
H19B H 0.998961 0.610383 0.938240 0.080 Uiso 1 1 calc R U . . .
H19C H 0.935106 0.614569 0.823392 0.080 Uiso 1 1 calc R U . . .
C20 C 0.83655(14) 0.66940(12) 1.1542(2) 0.0345(5) Uani 1 1 d . . . . .
H20A H 0.818248 0.626949 1.115886 0.052 Uiso 1 1 calc R U . . .
H20B H 0.788615 0.692350 1.191809 0.052 Uiso 1 1 calc R U . . .
H20C H 0.878023 0.659848 1.219159 0.052 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 N1 2.0584(13) 7_575 ?
Ru1 N1 2.0584(13) . ?
Ru1 C9 2.152(2) . ?
Ru1 C11 2.1554(16) 7_575 ?
Ru1 C11 2.1555(16) . ?
Ru1 C10 2.1637(16) 7_575 ?
Ru1 C10 2.1637(16) . ?
Ru1 Ru2 2.9037(2) . ?
Ru2 C17 2.1655(16) . ?
Ru2 C17 2.1655(16) 7_575 ?
Ru2 C16 2.1663(18) . ?
Ru2 C16 2.1663(18) 7_575 ?
Ru2 C1 2.1805(16) 7_575 ?
Ru2 C1 2.1805(16) . ?
Ru2 C15 2.195(3) . ?
Ru2 N1 2.2569(14) 7_575 ?
Ru2 N1 2.2569(14) . ?
N1 C1 1.405(2) . ?
N1 C5A 1.405(5) . ?
N1 C5 1.468(5) . ?
C1 C1 1.425(3) 7_575 ?
C1 C2 1.441(2) . ?
C2 C3 1.355(2) . ?
C3 C4A 1.459(4) . ?
C3 C6 1.479(2) . ?
C3 C4 1.492(5) . ?
C4 C5 1.504(6) . ?
C4A C5A 1.373(6) . ?
C6 O1 1.213(2) . ?
C6 O2 1.346(2) . ?
O2 C7 1.453(2) . ?
C7 C8 1.506(3) . ?
C9 C10 1.442(2) 7_575 ?
C9 C10 1.442(2) . ?
C9 C12 1.497(3) . ?
C10 C11 1.428(2) . ?
C10 C13 1.500(2) . ?
C11 C11 1.458(3) 7_575 ?
C11 C14 1.495(2) . ?
C15 C16 1.427(3) . ?
C15 C16 1.427(3) 7_575 ?
C15 C18 1.493(4) . ?
C16 C17 1.439(2) . ?
C16 C19 1.495(3) . ?
C17 C17 1.434(4) 7_575 ?
C17 C20 1.498(3) . ?

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
N1 Ru1 N1 75.72(8) 7_575 . ?
N1 Ru1 C9 126.89(5) 7_575 . ?
N1 Ru1 C9 126.89(5) . . ?
N1 Ru1 C11 118.43(6) 7_575 7_575 ?
N1 Ru1 C11 153.01(6) . 7_575 ?
C9 Ru1 C11 65.24(7) . 7_575 ?
N1 Ru1 C11 153.01(6) 7_575 . ?
N1 Ru1 C11 118.43(6) . . ?
C9 Ru1 C11 65.24(7) . . ?
C11 Ru1 C11 39.53(9) 7_575 . ?
N1 Ru1 C10 107.56(6) 7_575 7_575 ?
N1 Ru1 C10 164.58(6) . 7_575 ?
C9 Ru1 C10 39.03(5) . 7_575 ?
C11 Ru1 C10 38.60(6) 7_575 7_575 ?
C11 Ru1 C10 65.38(6) . 7_575 ?
N1 Ru1 C10 164.58(6) 7_575 . ?
N1 Ru1 C10 107.56(6) . . ?
C9 Ru1 C10 39.03(5) . . ?
C11 Ru1 C10 65.38(6) 7_575 . ?
C11 Ru1 C10 38.60(6) . . ?
C10 Ru1 C10 65.30(9) 7_575 . ?
N1 Ru1 Ru2 50.68(4) 7_575 . ?
N1 Ru1 Ru2 50.68(4) . . ?
C9 Ru1 Ru2 176.12(6) . . ?
C11 Ru1 Ru2 118.35(4) 7_575 . ?
C11 Ru1 Ru2 118.35(4) . . ?
C10 Ru1 Ru2 142.85(5) 7_575 . ?
C10 Ru1 Ru2 142.84(5) . . ?
C17 Ru2 C17 38.67(10) . 7_575 ?
C17 Ru2 C16 38.79(7) . . ?
C17 Ru2 C16 64.73(7) 7_575 . ?
C17 Ru2 C16 64.73(7) . 7_575 ?
C17 Ru2 C16 38.79(7) 7_575 7_575 ?
C16 Ru2 C16 64.33(11) . 7_575 ?
C17 Ru2 C1 123.44(6) . 7_575 ?
C17 Ru2 C1 109.55(6) 7_575 7_575 ?
C16 Ru2 C1 158.31(7) . 7_575 ?
C16 Ru2 C1 125.55(7) 7_575 7_575 ?
C17 Ru2 C1 109.55(6) . . ?
C17 Ru2 C1 123.44(6) 7_575 . ?
C16 Ru2 C1 125.55(7) . . ?
C16 Ru2 C1 158.31(7) 7_575 . ?
C1 Ru2 C1 38.13(9) 7_575 . ?
C17 Ru2 C15 64.41(8) . . ?
C17 Ru2 C15 64.41(8) 7_575 . ?
C16 Ru2 C15 38.19(7) . . ?
C16 Ru2 C15 38.19(7) 7_575 . ?
C1 Ru2 C15 160.77(5) 7_575 . ?
C1 Ru2 C15 160.77(4) . . ?
C17 Ru2 N1 155.38(6) . 7_575 ?
C17 Ru2 N1 122.58(6) 7_575 7_575 ?
C16 Ru2 N1 164.23(6) . 7_575 ?
C16 Ru2 N1 111.49(6) 7_575 7_575 ?
C1 Ru2 N1 36.86(5) 7_575 7_575 ?
C1 Ru2 N1 64.25(5) . 7_575 ?
C15 Ru2 N1 129.04(6) . 7_575 ?
C17 Ru2 N1 122.58(6) . . ?
C17 Ru2 N1 155.38(6) 7_575 . ?
C16 Ru2 N1 111.49(6) . . ?
C16 Ru2 N1 164.23(6) 7_575 . ?
C1 Ru2 N1 64.25(5) 7_575 . ?
C1 Ru2 N1 36.86(5) . . ?
C15 Ru2 N1 129.04(6) . . ?
N1 Ru2 N1 68.07(7) 7_575 . ?
C17 Ru2 Ru1 158.75(5) . . ?
C17 Ru2 Ru1 158.75(5) 7_575 . ?
C16 Ru2 Ru1 123.01(5) . . ?
C16 Ru2 Ru1 123.01(5) 7_575 . ?
C1 Ru2 Ru1 70.40(4) 7_575 . ?
C1 Ru2 Ru1 70.40(4) . . ?
C15 Ru2 Ru1 108.26(7) . . ?
N1 Ru2 Ru1 44.87(3) 7_575 . ?
N1 Ru2 Ru1 44.87(3) . . ?
C1 N1 C5A 115.5(2) . . ?
C1 N1 C5 115.8(2) . . ?
C1 N1 Ru1 118.15(11) . . ?
C5A N1 Ru1 126.3(2) . . ?
C5 N1 Ru1 124.20(19) . . ?
C1 N1 Ru2 68.61(8) . . ?
C5A N1 Ru2 116.2(2) . . ?
C5 N1 Ru2 128.9(2) . . ?
Ru1 N1 Ru2 84.45(5) . . ?
N1 C1 C1 113.09(9) . 7_575 ?
N1 C1 C2 121.62(15) . . ?
C1 C1 C2 125.29(9) 7_575 . ?
N1 C1 Ru2 74.53(9) . . ?
C1 C1 Ru2 70.93(4) 7_575 . ?
C2 C1 Ru2 122.59(11) . . ?
C3 C2 C1 120.69(15) . . ?
C2 C3 C4A 118.1(2) . . ?
C2 C3 C6 122.13(16) . . ?
C4A C3 C6 119.6(2) . . ?
C2 C3 C4 118.7(2) . . ?
C6 C3 C4 117.9(2) . . ?
C3 C4 C5 110.3(4) . . ?
N1 C5 C4 114.5(4) . . ?
C5A C4A C3 119.2(4) . . ?
C4A C5A N1 123.7(4) . . ?
O1 C6 O2 123.16(16) . . ?
O1 C6 C3 124.24(17) . . ?
O2 C6 C3 112.59(15) . . ?
C6 O2 C7 116.39(14) . . ?
O2 C7 C8 111.50(16) . . ?
C10 C9 C10 108.1(2) 7_575 . ?
C10 C9 C12 125.64(10) 7_575 . ?
C10 C9 C12 125.64(10) . . ?
C10 C9 Ru1 70.92(11) 7_575 . ?
C10 C9 Ru1 70.92(11) . . ?
C12 C9 Ru1 130.64(17) . . ?
C11 C10 C9 108.04(15) . . ?
C11 C10 C13 127.04(15) . . ?
C9 C10 C13 124.83(15) . . ?
C11 C10 Ru1 70.39(9) . . ?
C9 C10 Ru1 70.04(11) . . ?
C13 C10 Ru1 127.86(12) . . ?
C10 C11 C11 107.89(9) . 7_575 ?
C10 C11 C14 126.49(15) . . ?
C11 C11 C14 125.43(10) 7_575 . ?
C10 C11 Ru1 71.01(9) . . ?
C11 C11 Ru1 70.24(4) 7_575 . ?
C14 C11 Ru1 128.18(12) . . ?
C16 C15 C16 107.9(2) . 7_575 ?
C16 C15 C18 125.49(12) . . ?
C16 C15 C18 125.49(12) 7_575 . ?
C16 C15 Ru2 69.83(12) . . ?
C16 C15 Ru2 69.83(12) 7_575 . ?
C18 C15 Ru2 135.4(2) . . ?
C15 C16 C17 108.40(17) . . ?
C15 C16 C19 124.8(2) . . ?
C17 C16 C19 126.6(2) . . ?
C15 C16 Ru2 71.98(12) . . ?
C17 C16 Ru2 70.58(10) . . ?
C19 C16 Ru2 126.89(14) . . ?
C17 C17 C16 107.65(12) 7_575 . ?
C17 C17 C20 125.96(12) 7_575 . ?
C16 C17 C20 126.30(19) . . ?
C17 C17 Ru2 70.66(5) 7_575 . ?
C16 C17 Ru2 70.63(10) . . ?
C20 C17 Ru2 126.71(13) . . ?

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
C5A N1 C1 C1 170.7(3) . . . 7_575 ?
C5 N1 C1 C1 -175.1(3) . . . 7_575 ?
Ru1 N1 C1 C1 -10.00(11) . . . 7_575 ?
Ru2 N1 C1 C1 60.89(4) . . . 7_575 ?
C5A N1 C1 C2 -9.3(3) . . . . ?
C5 N1 C1 C2 5.0(3) . . . . ?
Ru1 N1 C1 C2 170.04(11) . . . . ?
Ru2 N1 C1 C2 -119.07(15) . . . . ?
C5A N1 C1 Ru2 109.8(3) . . . . ?
C5 N1 C1 Ru2 124.1(3) . . . . ?
Ru1 N1 C1 Ru2 -70.89(8) . . . . ?
N1 C1 C2 C3 8.3(2) . . . . ?
C1 C1 C2 C3 -171.70(11) 7_575 . . . ?
Ru2 C1 C2 C3 -82.99(19) . . . . ?
C1 C2 C3 C4A -6.7(3) . . . . ?
C1 C2 C3 C6 176.63(15) . . . . ?
C1 C2 C3 C4 9.7(3) . . . . ?
C2 C3 C4 C5 -37.8(5) . . . . ?
C6 C3 C4 C5 154.8(3) . . . . ?
C1 N1 C5 C4 -34.7(5) . . . . ?
Ru1 N1 C5 C4 161.3(3) . . . . ?
Ru2 N1 C5 C4 47.8(5) . . . . ?
C3 C4 C5 N1 50.0(5) . . . . ?
C2 C3 C4A C5A 7.0(6) . . . . ?
C6 C3 C4A C5A -176.2(4) . . . . ?
C3 C4A C5A N1 -9.0(8) . . . . ?
C1 N1 C5A C4A 9.9(6) . . . . ?
Ru1 N1 C5A C4A -169.3(4) . . . . ?
Ru2 N1 C5A C4A 87.5(5) . . . . ?
C2 C3 C6 O1 -169.85(19) . . . . ?
C4A C3 C6 O1 13.5(4) . . . . ?
C4 C3 C6 O1 -2.9(4) . . . . ?
C2 C3 C6 O2 9.7(2) . . . . ?
C4A C3 C6 O2 -167.0(3) . . . . ?
C4 C3 C6 O2 176.6(3) . . . . ?
O1 C6 O2 C7 -1.9(3) . . . . ?
C3 C6 O2 C7 178.58(15) . . . . ?
C6 O2 C7 C8 -80.7(2) . . . . ?
C10 C9 C10 C11 1.1(2) 7_575 . . . ?
C12 C9 C10 C11 172.7(2) . . . . ?
Ru1 C9 C10 C11 -60.41(12) . . . . ?
C10 C9 C10 C13 -175.62(11) 7_575 . . . ?
C12 C9 C10 C13 -4.0(3) . . . . ?
Ru1 C9 C10 C13 122.87(17) . . . . ?
C10 C9 C10 Ru1 61.50(15) 7_575 . . . ?
C12 C9 C10 Ru1 -126.9(2) . . . . ?
C9 C10 C11 C11 -0.67(15) . . . 7_575 ?
C13 C10 C11 C11 175.95(14) . . . 7_575 ?
Ru1 C10 C11 C11 -60.87(4) . . . 7_575 ?
C9 C10 C11 C14 -175.85(17) . . . . ?
C13 C10 C11 C14 0.8(3) . . . . ?
Ru1 C10 C11 C14 123.95(17) . . . . ?
C9 C10 C11 Ru1 60.19(13) . . . . ?
C13 C10 C11 Ru1 -123.18(17) . . . . ?
C16 C15 C16 C17 -1.8(3) 7_575 . . . ?
C18 C15 C16 C17 166.4(2) . . . . ?
Ru2 C15 C16 C17 -61.53(12) . . . . ?
C16 C15 C16 C19 -177.42(14) 7_575 . . . ?
C18 C15 C16 C19 -9.2(4) . . . . ?
Ru2 C15 C16 C19 122.9(2) . . . . ?
C16 C15 C16 Ru2 59.72(17) 7_575 . . . ?
C18 C15 C16 Ru2 -132.1(3) . . . . ?
C15 C16 C17 C17 1.11(16) . . . 7_575 ?
C19 C16 C17 C17 176.63(17) . . . 7_575 ?
Ru2 C16 C17 C17 -61.31(5) . . . 7_575 ?
C15 C16 C17 C20 -175.71(18) . . . . ?
C19 C16 C17 C20 -0.2(3) . . . . ?
Ru2 C16 C17 C20 121.87(18) . . . . ?
C15 C16 C17 Ru2 62.42(14) . . . . ?
C19 C16 C17 Ru2 -122.1(2) . . . . ?

_refine_diff_density_max         1.234
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.071

####################################################################### 
# 
# 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 1901046'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2019-03-05 deposited with the CCDC.	2019-04-26 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            'C32 H40 N2 Ru2'
_chemical_formula_weight         654.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   10.8926(9)
_cell_length_b                   16.1224(14)
_cell_length_c                   16.4294(12)
_cell_angle_alpha                89.244(2)
_cell_angle_beta                 78.917(2)
_cell_angle_gamma                77.643(2)
_cell_volume                     2764.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    24180
_cell_measurement_theta_min      3.010
_cell_measurement_theta_max      25.347

_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_F_000             1336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.116
_shelx_estimated_absorpt_T_min   0.897
_shelx_estimated_absorpt_T_max   0.978
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.5300
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(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            24144
_diffrn_reflns_av_unetI/netI     0.1527
_diffrn_reflns_av_R_equivalents  0.1091
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.010
_diffrn_reflns_theta_max         25.347
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             10046
_reflns_number_gt                6214
_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-2016/4 (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)+(0.1117P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    refU
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10046
_refine_ls_number_parameters     794
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0821
_refine_ls_wR_factor_ref         0.2146
_refine_ls_wR_factor_gt          0.1807
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_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 0.10870(6) 0.90735(5) 0.80006(4) 0.0335(2) Uani 1 1 d . . . . .
Ru2 Ru 0.17093(7) 1.00707(5) 0.65759(5) 0.0364(2) Uani 1 1 d . . . . .
N1 N 0.1094(7) 1.0339(5) 0.7856(5) 0.0359(17) Uani 1 1 d . . . . .
N2 N 0.2754(7) 0.9187(5) 0.8403(5) 0.0350(17) Uani 1 1 d . . . . .
C1 C 0.2007(8) 1.0653(6) 0.8196(6) 0.038(2) Uani 1 1 d . . . . .
C2 C 0.2065(9) 1.1492(6) 0.8248(6) 0.045(2) Uani 1 1 d . . . . .
C3 C 0.1118(10) 1.2091(7) 0.7916(7) 0.052(3) Uani 1 1 d . . . . .
H3 H 0.110(6) 1.273(5) 0.805(4) 0.009(16) Uiso 1 1 d . . . . .
C4 C 0.0281(10) 1.1821(6) 0.7537(7) 0.045(2) Uani 1 1 d . . . . .
H4 H -0.034(12) 1.221(9) 0.731(8) 0.08(4) Uiso 1 1 d . . . . .
C5 C 0.0248(9) 1.0932(6) 0.7468(6) 0.041(2) Uani 1 1 d . . . . .
H5 H -0.053(7) 1.084(5) 0.745(4) 0.010(17) Uiso 1 1 d . . . . .
C6 C 0.3038(11) 1.1702(8) 0.8611(7) 0.055(3) Uani 1 1 d . . . . .
H6 H 0.306627 1.228243 0.867201 0.10(5) Uiso 1 1 calc R . . . .
C7 C 0.2922(8) 0.9988(6) 0.8483(5) 0.037(2) Uani 1 1 d . . . . .
C8 C 0.3925(9) 1.0203(7) 0.8816(6) 0.045(2) Uani 1 1 d . . . . .
C9 C 0.4815(10) 0.9527(8) 0.9044(7) 0.049(3) Uani 1 1 d . . . . .
H9 H 0.538(10) 0.957(7) 0.924(6) 0.05(3) Uiso 1 1 d . . . . .
C10 C 0.4672(10) 0.8719(7) 0.8966(6) 0.048(2) Uani 1 1 d . . . . .
H10 H 0.532(9) 0.816(6) 0.919(6) 0.04(3) Uiso 1 1 d . . . . .
C11 C 0.3644(9) 0.8562(7) 0.8643(7) 0.046(2) Uani 1 1 d . . . . .
H11 H 0.362(7) 0.801(5) 0.861(5) 0.016(19) Uiso 1 1 d . . . . .
C12 C 0.3946(12) 1.1084(9) 0.8877(7) 0.056(3) Uani 1 1 d . . . . .
H12 H 0.457(15) 1.121(11) 0.911(10) 0.12(6) Uiso 1 1 d . . . . .
C13 C -0.0707(8) 0.8994(6) 0.8806(6) 0.036(2) Uani 1 1 d . . . . .
C14 C -0.0808(8) 0.8881(6) 0.7962(5) 0.037(2) Uani 1 1 d . . . . .
C15 C 0.0136(9) 0.8146(6) 0.7623(6) 0.042(2) Uani 1 1 d . . . . .
C16 C 0.0808(8) 0.7787(6) 0.8255(6) 0.041(2) Uani 1 1 d . . . . .
C17 C 0.0298(9) 0.8323(7) 0.8990(6) 0.043(2) Uani 1 1 d . . . . .
C18 C -0.1521(9) 0.9668(7) 0.9403(7) 0.051(3) Uani 1 1 d . . . . .
H18A H -0.179398 1.018213 0.910235 0.09(5) Uiso 1 1 calc R . . . .
H18B H -0.102908 0.979409 0.980853 0.12(6) Uiso 1 1 calc R . . . .
H18C H -0.227660 0.947094 0.969150 0.08(4) Uiso 1 1 calc R . . . .
C19 C -0.1844(9) 0.9383(7) 0.7542(7) 0.049(3) Uani 1 1 d . . . . .
H19A H -0.219976 0.993532 0.782998 0.05(3) Uiso 1 1 calc R . . . .
H19B H -0.252615 0.906851 0.756273 0.09(4) Uiso 1 1 calc R . . . .
H19C H -0.147659 0.946861 0.696247 0.05(3) Uiso 1 1 calc R . . . .
C20 C 0.0323(12) 0.7770(8) 0.6757(7) 0.060(3) Uani 1 1 d . . . . .
H20A H 0.110311 0.732040 0.665087 0.11(5) Uiso 1 1 calc R . . . .
H20B H 0.040134 0.821475 0.635070 0.12(6) Uiso 1 1 calc R . . . .
H20C H -0.041584 0.752989 0.670976 0.05(3) Uiso 1 1 calc R . . . .
C21 C 0.1782(11) 0.6964(7) 0.8191(8) 0.063(3) Uani 1 1 d . . . . .
H21A H 0.214036 0.689248 0.869757 0.05(3) Uiso 1 1 calc R . . . .
H21B H 0.247071 0.697093 0.771130 0.14(6) Uiso 1 1 calc R . . . .
H21C H 0.137131 0.649141 0.812351 0.09(4) Uiso 1 1 calc R . . . .
C22 C 0.0670(10) 0.8163(9) 0.9811(7) 0.057(3) Uani 1 1 d . . . . .
H22A H 0.159567 0.793764 0.973206 0.14(7) Uiso 1 1 calc R . . . .
H22B H 0.021578 0.774951 1.010339 0.07(3) Uiso 1 1 calc R . . . .
H22C H 0.044246 0.869575 1.013949 0.10(5) Uiso 1 1 calc R . . . .
C23 C 0.3067(9) 1.0846(7) 0.5931(6) 0.044(2) Uani 1 1 d . . . . .
C24 C 0.3841(9) 1.0075(7) 0.6156(6) 0.046(2) Uani 1 1 d . . . . .
C25 C 0.3534(9) 0.9391(7) 0.5751(6) 0.051(3) Uani 1 1 d . . . . .
C26 C 0.2584(9) 0.9735(7) 0.5269(6) 0.044(2) Uani 1 1 d . . . . .
C27 C 0.2302(9) 1.0645(6) 0.5387(6) 0.041(2) Uani 1 1 d . . . . .
C28 C 0.3193(15) 1.1730(9) 0.6164(9) 0.080(4) Uani 1 1 d . . . . .
H28A H 0.328253 1.174587 0.674541 0.11(6) Uiso 1 1 calc R . . . .
H28B H 0.242729 1.214635 0.608831 0.10(5) Uiso 1 1 calc R . . . .
H28C H 0.395089 1.186647 0.580806 0.06(3) Uiso 1 1 calc R . . . .
C29 C 0.4889(11) 0.9978(13) 0.6644(8) 0.085(5) Uani 1 1 d . . . . .
H29A H 0.476902 1.049412 0.698559 0.25(14) Uiso 1 1 calc R . . . .
H29B H 0.571983 0.988805 0.626316 0.11(5) Uiso 1 1 calc R . . . .
H29C H 0.486393 0.948992 0.700375 0.08(4) Uiso 1 1 calc R . . . .
C30 C 0.4146(14) 0.8484(9) 0.5810(11) 0.095(6) Uani 1 1 d . . . . .
H30A H 0.390211 0.814466 0.540159 0.12(8) Uiso 1 1 calc R . . . .
H30B H 0.386241 0.829062 0.636872 0.16(8) Uiso 1 1 calc R . . . .
H30C H 0.507968 0.841654 0.569804 0.15(7) Uiso 1 1 calc R . . . .
C31 C 0.2067(13) 0.9254(9) 0.4683(7) 0.069(4) Uani 1 1 d . . . . .
H31A H 0.191084 0.872170 0.493330 0.08(4) Uiso 1 1 calc R . . . .
H31B H 0.269167 0.912692 0.416104 0.06(3) Uiso 1 1 calc R . . . .
H31C H 0.126277 0.959897 0.457271 0.10(5) Uiso 1 1 calc R . . . .
C32 C 0.1490(12) 1.1282(9) 0.4941(8) 0.069(4) Uani 1 1 d . . . . .
H32A H 0.085059 1.102291 0.475606 0.05(3) Uiso 1 1 calc R . . . .
H32B H 0.202905 1.147292 0.445854 0.02(2) Uiso 1 1 calc R . . . .
H32C H 0.105439 1.176903 0.531491 0.11(5) Uiso 1 1 calc R . . . .
H1A H 0.052(12) 0.988(8) 0.646(8) 0.09(4) Uiso 1 1 d . . . . .
H2A H 0.184(12) 0.905(9) 0.693(8) 0.09(4) Uiso 1 1 d . . . . .
Ru3 Ru 0.60711(6) 0.40306(5) 0.80598(4) 0.0332(2) Uani 1 1 d . . . . .
Ru4 Ru 0.67336(6) 0.47296(5) 0.64661(4) 0.0346(2) Uani 1 1 d . . . . .
N3 N 0.5927(7) 0.5263(4) 0.7664(5) 0.0351(17) Uani 1 1 d . . . . .
N4 N 0.7569(7) 0.4399(5) 0.8463(5) 0.0383(18) Uani 1 1 d . . . . .
C33 C 0.6720(8) 0.5734(6) 0.7946(5) 0.036(2) Uani 1 1 d . . . . .
C34 C 0.6688(9) 0.6576(6) 0.7807(6) 0.040(2) Uani 1 1 d . . . . .
C35 C 0.5786(9) 0.7006(7) 0.7301(6) 0.046(2) Uani 1 1 d . . . . .
H35 H 0.571062 0.759366 0.719694 0.20(10) Uiso 1 1 calc R . . . .
C36 C 0.5072(9) 0.6564(7) 0.6987(7) 0.046(3) Uani 1 1 d . . . . .
H36 H 0.444(10) 0.682(7) 0.668(7) 0.06(3) Uiso 1 1 d . . . . .
C37 C 0.5094(8) 0.5671(6) 0.7141(6) 0.037(2) Uani 1 1 d . . . . .
H37 H 0.422(6) 0.553(4) 0.725(4) 0.001(15) Uiso 1 1 d . . . . .
C38 C 0.7531(10) 0.6963(7) 0.8145(7) 0.047(2) Uani 1 1 d . . . . .
H38 H 0.749(7) 0.747(6) 0.809(5) 0.02(2) Uiso 1 1 d . . . . .
C39 C 0.7622(8) 0.5251(6) 0.8382(5) 0.0346(19) Uani 1 1 d . . . . .
C40 C 0.8509(8) 0.5623(7) 0.8659(6) 0.042(2) Uani 1 1 d . . . . .
C41 C 0.9459(9) 0.5093(7) 0.9025(6) 0.048(2) Uani 1 1 d . . . . .
H41 H 1.009583 0.531479 0.921675 0.05(3) Uiso 1 1 calc R . . . .
C42 C 0.9429(9) 0.4250(7) 0.9092(6) 0.049(3) Uani 1 1 d . . . . .
H42 H 1.006075 0.388542 0.933332 0.06(3) Uiso 1 1 calc R . . . .
C43 C 0.8502(9) 0.3910(6) 0.8818(6) 0.040(2) Uani 1 1 d . . . . .
H43 H 0.865(8) 0.329(6) 0.880(5) 0.03(2) Uiso 1 1 d . . . . .
C44 C 0.8412(9) 0.6515(6) 0.8560(6) 0.043(2) Uani 1 1 d . . . . .
H44 H 0.896214 0.679463 0.878311 0.06(3) Uiso 1 1 calc R . . . .
C45 C 0.4221(8) 0.3950(6) 0.8787(6) 0.039(2) Uani 1 1 d . . . . .
C46 C 0.4337(8) 0.3597(6) 0.7974(6) 0.039(2) Uani 1 1 d . . . . .
C47 C 0.5431(9) 0.2879(6) 0.7851(6) 0.043(2) Uani 1 1 d . . . . .
C48 C 0.5934(8) 0.2798(6) 0.8600(6) 0.040(2) Uani 1 1 d . . . . .
C49 C 0.5205(8) 0.3463(6) 0.9172(6) 0.039(2) Uani 1 1 d . . . . .
C50 C 0.3177(10) 0.4685(7) 0.9205(8) 0.054(3) Uani 1 1 d . . . . .
H50A H 0.345537 0.491680 0.967031 0.12(6) Uiso 1 1 calc R . . . .
H50B H 0.239085 0.448198 0.941198 0.07(4) Uiso 1 1 calc R . . . .
H50C H 0.301124 0.512960 0.880345 0.04(3) Uiso 1 1 calc R . . . .
C51 C 0.3407(10) 0.3862(9) 0.7401(8) 0.066(4) Uani 1 1 d . . . . .
H51A H 0.292341 0.444347 0.754955 0.11(6) Uiso 1 1 calc R . . . .
H51B H 0.281306 0.347693 0.745428 0.07(3) Uiso 1 1 calc R . . . .
H51C H 0.387820 0.383881 0.682764 0.19(10) Uiso 1 1 calc R . . . .
C52 C 0.5854(11) 0.2324(8) 0.7112(7) 0.059(3) Uani 1 1 d . . . . .
H52A H 0.678209 0.210512 0.702949 0.06(3) Uiso 1 1 calc R . . . .
H52B H 0.564695 0.264527 0.662759 0.11(5) Uiso 1 1 calc R . . . .
H52C H 0.541779 0.184794 0.718112 0.06(3) Uiso 1 1 calc R . . . .
C53 C 0.6971(9) 0.2067(7) 0.8758(8) 0.055(3) Uani 1 1 d . . . . .
H53A H 0.658499 0.159988 0.899395 0.07(4) Uiso 1 1 calc R . . . .
H53B H 0.744122 0.225289 0.914845 0.12(6) Uiso 1 1 calc R . . . .
H53C H 0.756231 0.187341 0.823428 0.12(6) Uiso 1 1 calc R . . . .
C54 C 0.5381(11) 0.3550(8) 1.0029(7) 0.055(3) Uani 1 1 d . . . . .
H54A H 0.627927 0.331876 1.005992 0.14(7) Uiso 1 1 calc R . . . .
H54B H 0.483188 0.323746 1.039789 0.08(4) Uiso 1 1 calc R . . . .
H54C H 0.515066 0.415186 1.020205 0.04(3) Uiso 1 1 calc R . . . .
C55 C 0.7413(9) 0.4564(7) 0.5108(6) 0.044(2) Uani 1 1 d . . . . .
C56 C 0.7489(10) 0.5398(7) 0.5312(6) 0.046(2) Uani 1 1 d . . . . .
C57 C 0.8375(9) 0.5343(7) 0.5858(6) 0.045(2) Uani 1 1 d . . . . .
C58 C 0.8817(8) 0.4461(6) 0.6013(5) 0.040(2) Uani 1 1 d . . . . .
C59 C 0.8241(8) 0.3970(6) 0.5541(5) 0.036(2) Uani 1 1 d . . . . .
C60 C 0.6748(10) 0.4317(7) 0.4466(6) 0.052(3) Uani 1 1 d . . . . .
H60A H 0.648597 0.378049 0.461387 0.06(3) Uiso 1 1 calc R . . . .
H60B H 0.733039 0.424538 0.392503 0.09(4) Uiso 1 1 calc R . . . .
H60C H 0.598873 0.476150 0.443701 0.06(3) Uiso 1 1 calc R . . . .
C61 C 0.6812(12) 0.6196(7) 0.4992(7) 0.065(4) Uani 1 1 d . . . . .
H61A H 0.666509 0.665813 0.540473 0.08(4) Uiso 1 1 calc R . . . .
H61B H 0.598723 0.612142 0.488420 0.16(9) Uiso 1 1 calc R . . . .
H61C H 0.733537 0.633705 0.447577 0.04(2) Uiso 1 1 calc R . . . .
C62 C 0.8893(12) 0.6052(9) 0.6133(8) 0.068(4) Uani 1 1 d . . . . .
H62A H 0.822908 0.657700 0.619671 0.17(9) Uiso 1 1 calc R . . . .
H62B H 0.963414 0.612865 0.571867 0.14(6) Uiso 1 1 calc R . . . .
H62C H 0.915554 0.591820 0.666641 0.09(5) Uiso 1 1 calc R . . . .
C63 C 0.9879(9) 0.4109(9) 0.6484(7) 0.062(3) Uani 1 1 d . . . . .
H63A H 0.982341 0.353092 0.665507 0.14(7) Uiso 1 1 calc R . . . .
H63B H 0.978462 0.447077 0.697607 0.09(5) Uiso 1 1 calc R . . . .
H63C H 1.071222 0.409641 0.612433 0.05(3) Uiso 1 1 calc R . . . .
C64 C 0.8527(11) 0.3020(6) 0.5453(7) 0.054(3) Uani 1 1 d . . . . .
H64A H 0.779383 0.283825 0.530411 0.10(5) Uiso 1 1 calc R . . . .
H64B H 0.868654 0.277136 0.598086 0.09(4) Uiso 1 1 calc R . . . .
H64C H 0.928674 0.282874 0.501838 0.04(3) Uiso 1 1 calc R . . . .
H3A H 0.554(10) 0.434(7) 0.638(6) 0.06(3) Uiso 1 1 d . . . . .
H4A H 0.698(5) 0.373(4) 0.716(4) 0.000(14) 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 N1 2.053(7) . ?
Ru1 N2 2.092(7) . ?
Ru1 C15 2.151(10) . ?
Ru1 C14 2.165(9) . ?
Ru1 C13 2.167(8) . ?
Ru1 C17 2.169(9) . ?
Ru1 C16 2.184(9) . ?
Ru1 Ru2 2.8776(9) . ?
Ru1 H2A 1.80(13) . ?
Ru2 N1 2.101(8) . ?
Ru2 C27 2.195(9) . ?
Ru2 C5 2.195(10) . ?
Ru2 C26 2.199(9) . ?
Ru2 C23 2.242(9) . ?
Ru2 C25 2.249(10) . ?
Ru2 C24 2.294(9) . ?
Ru2 H1A 1.45(13) . ?
Ru2 H2A 1.72(13) . ?
N1 C1 1.412(12) . ?
N1 C5 1.413(11) . ?
N2 C7 1.353(12) . ?
N2 C11 1.351(12) . ?
C1 C2 1.373(14) . ?
C1 C7 1.440(13) . ?
C2 C6 1.412(16) . ?
C2 C3 1.439(14) . ?
C3 C4 1.342(16) . ?
C3 H3 1.05(8) . ?
C4 C5 1.449(15) . ?
C4 H4 0.94(12) . ?
C5 H5 0.89(8) . ?
C6 C12 1.377(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.419(13) . ?
C8 C9 1.395(15) . ?
C8 C12 1.431(17) . ?
C9 C10 1.356(16) . ?
C9 H9 0.76(11) . ?
C10 C11 1.397(15) . ?
C10 H10 1.12(9) . ?
C11 H11 0.89(9) . ?
C12 H12 0.90(17) . ?
C13 C14 1.428(13) . ?
C13 C17 1.440(12) . ?
C13 C18 1.487(14) . ?
C14 C15 1.431(14) . ?
C14 C19 1.516(12) . ?
C15 C16 1.429(13) . ?
C15 C20 1.514(15) . ?
C16 C17 1.443(15) . ?
C16 C21 1.502(13) . ?
C17 C22 1.484(14) . ?
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 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C27 1.417(14) . ?
C23 C24 1.433(14) . ?
C23 C28 1.521(16) . ?
C24 C25 1.426(16) . ?
C24 C29 1.497(14) . ?
C25 C26 1.436(14) . ?
C25 C30 1.483(15) . ?
C26 C27 1.442(14) . ?
C26 C31 1.503(16) . ?
C27 C32 1.487(14) . ?
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 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
Ru3 N3 2.066(7) . ?
Ru3 N4 2.073(8) . ?
Ru3 C45 2.165(9) . ?
Ru3 C47 2.172(10) . ?
Ru3 C49 2.174(8) . ?
Ru3 C46 2.178(9) . ?
Ru3 C48 2.189(8) . ?
Ru3 Ru4 2.8619(9) . ?
Ru3 H4A 1.63(6) . ?
Ru4 N3 2.107(8) . ?
Ru4 C59 2.176(8) . ?
Ru4 C58 2.197(9) . ?
Ru4 C37 2.201(9) . ?
Ru4 C55 2.213(9) . ?
Ru4 C56 2.271(9) . ?
Ru4 C57 2.284(8) . ?
Ru4 H3A 1.59(11) . ?
Ru4 H4A 1.96(6) . ?
N3 C33 1.408(12) . ?
N3 C37 1.422(11) . ?
N4 C43 1.367(11) . ?
N4 C39 1.391(12) . ?
C33 C34 1.367(13) . ?
C33 C39 1.419(12) . ?
C34 C38 1.412(15) . ?
C34 C35 1.464(13) . ?
C35 C36 1.333(15) . ?
C35 H35 0.9500 . ?
C36 C37 1.456(14) . ?
C36 H36 0.96(10) . ?
C37 H37 1.01(7) . ?
C38 C44 1.360(14) . ?
C38 H38 0.82(9) . ?
C39 C40 1.387(14) . ?
C40 C41 1.417(13) . ?
C40 C44 1.428(14) . ?
C41 C42 1.368(15) . ?
C41 H41 0.9500 . ?
C42 C43 1.393(15) . ?
C42 H42 0.9500 . ?
C43 H43 0.97(9) . ?
C44 H44 0.9500 . ?
C45 C49 1.432(12) . ?
C45 C46 1.431(14) . ?
C45 C50 1.521(14) . ?
C46 C47 1.458(14) . ?
C46 C51 1.506(13) . ?
C47 C48 1.434(14) . ?
C47 C52 1.458(15) . ?
C48 C49 1.429(14) . ?
C48 C53 1.505(12) . ?
C49 C54 1.471(14) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.413(15) . ?
C55 C59 1.447(13) . ?
C55 C60 1.492(14) . ?
C56 C57 1.428(14) . ?
C56 C61 1.484(14) . ?
C57 C58 1.436(14) . ?
C57 C62 1.490(16) . ?
C58 C59 1.428(14) . ?
C58 C63 1.521(13) . ?
C59 C64 1.499(13) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 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
N1 Ru1 N2 77.1(3) . . ?
N1 Ru1 C15 139.0(3) . . ?
N2 Ru1 C15 142.1(3) . . ?
N1 Ru1 C14 108.9(3) . . ?
N2 Ru1 C14 163.2(3) . . ?
C15 Ru1 C14 38.7(4) . . ?
N1 Ru1 C13 107.2(3) . . ?
N2 Ru1 C13 125.2(3) . . ?
C15 Ru1 C13 64.7(4) . . ?
C14 Ru1 C13 38.5(3) . . ?
N1 Ru1 C17 135.0(4) . . ?
N2 Ru1 C17 99.6(3) . . ?
C15 Ru1 C17 64.7(4) . . ?
C14 Ru1 C17 64.8(3) . . ?
C13 Ru1 C17 38.8(3) . . ?
N1 Ru1 C16 172.0(3) . . ?
N2 Ru1 C16 107.6(3) . . ?
C15 Ru1 C16 38.5(4) . . ?
C14 Ru1 C16 64.7(3) . . ?
C13 Ru1 C16 64.7(3) . . ?
C17 Ru1 C16 38.7(4) . . ?
N1 Ru1 Ru2 46.9(2) . . ?
N2 Ru1 Ru2 90.88(19) . . ?
C15 Ru1 Ru2 107.0(3) . . ?
C14 Ru1 Ru2 104.7(2) . . ?
C13 Ru1 Ru2 132.8(2) . . ?
C17 Ru1 Ru2 169.5(3) . . ?
C16 Ru1 Ru2 137.9(3) . . ?
N1 Ru1 H2A 80(5) . . ?
N2 Ru1 H2A 93(4) . . ?
C15 Ru1 H2A 85(5) . . ?
C14 Ru1 H2A 104(4) . . ?
C13 Ru1 H2A 142(4) . . ?
C17 Ru1 H2A 144(5) . . ?
C16 Ru1 H2A 106(5) . . ?
Ru2 Ru1 H2A 34(4) . . ?
N1 Ru2 C27 143.1(3) . . ?
N1 Ru2 C5 38.3(3) . . ?
C27 Ru2 C5 114.1(3) . . ?
N1 Ru2 C26 173.1(3) . . ?
C27 Ru2 C26 38.3(4) . . ?
C5 Ru2 C26 147.5(3) . . ?
N1 Ru2 C23 114.6(3) . . ?
C27 Ru2 C23 37.2(4) . . ?
C5 Ru2 C23 106.7(4) . . ?
C26 Ru2 C23 62.7(4) . . ?
N1 Ru2 C25 135.6(3) . . ?
C27 Ru2 C25 62.8(3) . . ?
C5 Ru2 C25 165.4(4) . . ?
C26 Ru2 C25 37.7(4) . . ?
C23 Ru2 C25 61.6(4) . . ?
N1 Ru2 C24 111.5(3) . . ?
C27 Ru2 C24 62.2(3) . . ?
C5 Ru2 C24 128.8(4) . . ?
C26 Ru2 C24 62.3(4) . . ?
C23 Ru2 C24 36.8(4) . . ?
C25 Ru2 C24 36.6(4) . . ?
N1 Ru2 Ru1 45.47(19) . . ?
C27 Ru2 Ru1 171.3(3) . . ?
C5 Ru2 Ru1 74.1(2) . . ?
C26 Ru2 Ru1 133.0(3) . . ?
C23 Ru2 Ru1 145.5(3) . . ?
C25 Ru2 Ru1 110.0(2) . . ?
C24 Ru2 Ru1 115.6(2) . . ?
N1 Ru2 H1A 95(5) . . ?
C27 Ru2 H1A 101(5) . . ?
C5 Ru2 H1A 76(5) . . ?
C26 Ru2 H1A 91(5) . . ?
C23 Ru2 H1A 136(5) . . ?
C25 Ru2 H1A 118(5) . . ?
C24 Ru2 H1A 153(5) . . ?
Ru1 Ru2 H1A 78(5) . . ?
N1 Ru2 H2A 81(5) . . ?
C27 Ru2 H2A 135(5) . . ?
C5 Ru2 H2A 109(4) . . ?
C26 Ru2 H2A 97(5) . . ?
C23 Ru2 H2A 136(4) . . ?
C25 Ru2 H2A 78(4) . . ?
C24 Ru2 H2A 99(4) . . ?
Ru1 Ru2 H2A 36(5) . . ?
H1A Ru2 H2A 78(7) . . ?
C1 N1 C5 116.9(8) . . ?
C1 N1 Ru1 116.8(6) . . ?
C5 N1 Ru1 126.2(7) . . ?
C1 N1 Ru2 111.6(6) . . ?
C5 N1 Ru2 74.4(5) . . ?
Ru1 N1 Ru2 87.7(3) . . ?
C7 N2 C11 116.0(8) . . ?
C7 N2 Ru1 116.0(5) . . ?
C11 N2 Ru1 127.9(7) . . ?
C2 C1 N1 125.4(9) . . ?
C2 C1 C7 121.9(9) . . ?
N1 C1 C7 112.7(8) . . ?
C1 C2 C6 118.5(10) . . ?
C1 C2 C3 116.3(10) . . ?
C6 C2 C3 125.2(11) . . ?
C4 C3 C2 120.6(11) . . ?
C4 C3 H3 125(4) . . ?
C2 C3 H3 114(4) . . ?
C3 C4 C5 122.5(10) . . ?
C3 C4 H4 121(9) . . ?
C5 C4 H4 116(9) . . ?
N1 C5 C4 117.8(10) . . ?
N1 C5 Ru2 67.2(5) . . ?
C4 C5 Ru2 120.8(7) . . ?
N1 C5 H5 119(4) . . ?
C4 C5 H5 114(5) . . ?
Ru2 C5 H5 110(5) . . ?
C12 C6 C2 121.4(12) . . ?
C12 C6 H6 119.3 . . ?
C2 C6 H6 119.3 . . ?
N2 C7 C8 124.7(9) . . ?
N2 C7 C1 116.2(8) . . ?
C8 C7 C1 119.2(9) . . ?
C9 C8 C7 116.3(10) . . ?
C9 C8 C12 126.0(10) . . ?
C7 C8 C12 117.7(10) . . ?
C10 C9 C8 120.1(10) . . ?
C10 C9 H9 115(9) . . ?
C8 C9 H9 125(9) . . ?
C9 C10 C11 119.9(10) . . ?
C9 C10 H10 122(5) . . ?
C11 C10 H10 118(5) . . ?
N2 C11 C10 123.0(11) . . ?
N2 C11 H11 123(5) . . ?
C10 C11 H11 114(5) . . ?
C6 C12 C8 121.3(11) . . ?
C6 C12 H12 122(10) . . ?
C8 C12 H12 116(10) . . ?
C14 C13 C17 108.2(8) . . ?
C14 C13 C18 126.3(8) . . ?
C17 C13 C18 125.5(9) . . ?
C14 C13 Ru1 70.7(5) . . ?
C17 C13 Ru1 70.7(5) . . ?
C18 C13 Ru1 125.8(7) . . ?
C13 C14 C15 107.8(8) . . ?
C13 C14 C19 125.6(9) . . ?
C15 C14 C19 126.2(9) . . ?
C13 C14 Ru1 70.8(5) . . ?
C15 C14 Ru1 70.1(5) . . ?
C19 C14 Ru1 130.4(6) . . ?
C16 C15 C14 108.9(9) . . ?
C16 C15 C20 125.4(9) . . ?
C14 C15 C20 125.5(9) . . ?
C16 C15 Ru1 72.0(6) . . ?
C14 C15 Ru1 71.1(6) . . ?
C20 C15 Ru1 126.6(7) . . ?
C15 C16 C17 107.3(8) . . ?
C15 C16 C21 126.5(10) . . ?
C17 C16 C21 126.0(9) . . ?
C15 C16 Ru1 69.5(5) . . ?
C17 C16 Ru1 70.1(5) . . ?
C21 C16 Ru1 129.5(7) . . ?
C13 C17 C16 107.8(8) . . ?
C13 C17 C22 126.3(10) . . ?
C16 C17 C22 125.7(9) . . ?
C13 C17 Ru1 70.5(5) . . ?
C16 C17 Ru1 71.2(5) . . ?
C22 C17 Ru1 127.9(7) . . ?
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 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C27 C23 C24 109.0(9) . . ?
C27 C23 C28 126.6(10) . . ?
C24 C23 C28 124.1(11) . . ?
C27 C23 Ru2 69.6(5) . . ?
C24 C23 Ru2 73.5(5) . . ?
C28 C23 Ru2 128.7(7) . . ?
C25 C24 C23 107.2(9) . . ?
C25 C24 C29 124.6(12) . . ?
C23 C24 C29 127.9(12) . . ?
C25 C24 Ru2 70.0(5) . . ?
C23 C24 Ru2 69.6(5) . . ?
C29 C24 Ru2 130.5(7) . . ?
C24 C25 C26 108.8(9) . . ?
C24 C25 C30 124.3(13) . . ?
C26 C25 C30 126.9(14) . . ?
C24 C25 Ru2 73.4(6) . . ?
C26 C25 Ru2 69.3(5) . . ?
C30 C25 Ru2 124.9(7) . . ?
C27 C26 C25 107.1(9) . . ?
C27 C26 C31 125.6(10) . . ?
C25 C26 C31 127.0(11) . . ?
C27 C26 Ru2 70.7(5) . . ?
C25 C26 Ru2 73.0(6) . . ?
C31 C26 Ru2 126.0(7) . . ?
C23 C27 C26 107.9(8) . . ?
C23 C27 C32 124.7(11) . . ?
C26 C27 C32 127.0(11) . . ?
C23 C27 Ru2 73.2(5) . . ?
C26 C27 Ru2 71.0(5) . . ?
C32 C27 Ru2 127.4(7) . . ?
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 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N3 Ru3 N4 77.1(3) . . ?
N3 Ru3 C45 107.2(3) . . ?
N4 Ru3 C45 127.8(4) . . ?
N3 Ru3 C47 141.0(3) . . ?
N4 Ru3 C47 139.5(3) . . ?
C45 Ru3 C47 64.8(4) . . ?
N3 Ru3 C49 133.8(3) . . ?
N4 Ru3 C49 100.9(3) . . ?
C45 Ru3 C49 38.5(3) . . ?
C47 Ru3 C49 64.7(4) . . ?
N3 Ru3 C46 110.0(3) . . ?
N4 Ru3 C46 165.3(3) . . ?
C45 Ru3 C46 38.5(4) . . ?
C47 Ru3 C46 39.2(4) . . ?
C49 Ru3 C46 64.7(3) . . ?
N3 Ru3 C48 171.2(3) . . ?
N4 Ru3 C48 106.7(3) . . ?
C45 Ru3 C48 64.1(3) . . ?
C47 Ru3 C48 38.4(4) . . ?
C49 Ru3 C48 38.2(4) . . ?
C46 Ru3 C48 64.5(3) . . ?
N3 Ru3 Ru4 47.3(2) . . ?
N4 Ru3 Ru4 91.4(2) . . ?
C45 Ru3 Ru4 130.6(2) . . ?
C47 Ru3 Ru4 106.7(3) . . ?
C49 Ru3 Ru4 167.6(2) . . ?
C46 Ru3 Ru4 102.9(2) . . ?
C48 Ru3 Ru4 139.1(3) . . ?
N3 Ru3 H4A 87(2) . . ?
N4 Ru3 H4A 91(2) . . ?
C45 Ru3 H4A 141(2) . . ?
C47 Ru3 H4A 81(2) . . ?
C49 Ru3 H4A 139(2) . . ?
C46 Ru3 H4A 102(2) . . ?
C48 Ru3 H4A 101(2) . . ?
Ru4 Ru3 H4A 41(2) . . ?
N3 Ru4 C59 154.1(3) . . ?
N3 Ru4 C58 120.8(3) . . ?
C59 Ru4 C58 38.1(4) . . ?
N3 Ru4 C37 38.5(3) . . ?
C59 Ru4 C37 166.2(3) . . ?
C58 Ru4 C37 144.0(4) . . ?
N3 Ru4 C55 163.1(3) . . ?
C59 Ru4 C55 38.5(3) . . ?
C58 Ru4 C55 63.2(4) . . ?
C37 Ru4 C55 127.8(3) . . ?
N3 Ru4 C56 127.9(3) . . ?
C59 Ru4 C56 63.0(3) . . ?
C58 Ru4 C56 62.4(3) . . ?
C37 Ru4 C56 104.8(3) . . ?
C55 Ru4 C56 36.7(4) . . ?
N3 Ru4 C57 110.5(3) . . ?
C59 Ru4 C57 62.7(4) . . ?
C58 Ru4 C57 37.3(4) . . ?
C37 Ru4 C57 112.0(4) . . ?
C55 Ru4 C57 61.5(4) . . ?
C56 Ru4 C57 36.5(4) . . ?
N3 Ru4 Ru3 46.11(18) . . ?
C59 Ru4 Ru3 118.5(2) . . ?
C58 Ru4 Ru3 111.8(2) . . ?
C37 Ru4 Ru3 74.7(2) . . ?
C55 Ru4 Ru3 150.4(3) . . ?
C56 Ru4 Ru3 169.7(3) . . ?
C57 Ru4 Ru3 133.7(3) . . ?
N3 Ru4 H3A 95(4) . . ?
C59 Ru4 H3A 101(4) . . ?
C58 Ru4 H3A 139(4) . . ?
C37 Ru4 H3A 77(4) . . ?
C55 Ru4 H3A 89(4) . . ?
C56 Ru4 H3A 113(4) . . ?
C57 Ru4 H3A 149(4) . . ?
Ru3 Ru4 H3A 77(4) . . ?
N3 Ru4 H4A 78.0(18) . . ?
C59 Ru4 H4A 85.5(17) . . ?
C58 Ru4 H4A 88.3(17) . . ?
C37 Ru4 H4A 107.4(17) . . ?
C55 Ru4 H4A 118.9(19) . . ?
C56 Ru4 H4A 147.5(17) . . ?
C57 Ru4 H4A 122.8(17) . . ?
Ru3 Ru4 H4A 33.2(18) . . ?
H3A Ru4 H4A 79(4) . . ?
C33 N3 C37 117.9(7) . . ?
C33 N3 Ru3 116.5(5) . . ?
C37 N3 Ru3 125.6(6) . . ?
C33 N3 Ru4 111.7(6) . . ?
C37 N3 Ru4 74.3(5) . . ?
Ru3 N3 Ru4 86.6(3) . . ?
C43 N4 C39 115.6(8) . . ?
C43 N4 Ru3 127.9(7) . . ?
C39 N4 Ru3 116.5(6) . . ?
C34 C33 N3 125.0(8) . . ?
C34 C33 C39 120.9(9) . . ?
N3 C33 C39 114.0(8) . . ?
C33 C34 C38 118.3(9) . . ?
C33 C34 C35 116.9(9) . . ?
C38 C34 C35 124.8(9) . . ?
C36 C35 C34 119.4(9) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C37 123.8(9) . . ?
C35 C36 H36 123(7) . . ?
C37 C36 H36 113(7) . . ?
N3 C37 C36 116.7(9) . . ?
N3 C37 Ru4 67.2(5) . . ?
C36 C37 Ru4 117.7(6) . . ?
N3 C37 H37 115(3) . . ?
C36 C37 H37 114(4) . . ?
Ru4 C37 H37 119(4) . . ?
C44 C38 C34 122.0(10) . . ?
C44 C38 H38 119(6) . . ?
C34 C38 H38 119(6) . . ?
C40 C39 N4 124.7(8) . . ?
C40 C39 C33 120.3(9) . . ?
N4 C39 C33 114.9(8) . . ?
C39 C40 C41 117.8(9) . . ?
C39 C40 C44 118.2(8) . . ?
C41 C40 C44 124.0(9) . . ?
C42 C41 C40 117.8(10) . . ?
C42 C41 H41 121.1 . . ?
C40 C41 H41 121.1 . . ?
C41 C42 C43 122.2(9) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 H42 118.9 . . ?
N4 C43 C42 121.9(10) . . ?
N4 C43 H43 121(5) . . ?
C42 C43 H43 116(5) . . ?
C38 C44 C40 120.0(9) . . ?
C38 C44 H44 120.0 . . ?
C40 C44 H44 120.0 . . ?
C49 C45 C46 108.9(8) . . ?
C49 C45 C50 124.9(10) . . ?
C46 C45 C50 126.1(9) . . ?
C49 C45 Ru3 71.1(5) . . ?
C46 C45 Ru3 71.3(5) . . ?
C50 C45 Ru3 126.8(7) . . ?
C45 C46 C47 107.2(8) . . ?
C45 C46 C51 125.7(10) . . ?
C47 C46 C51 126.8(10) . . ?
C45 C46 Ru3 70.3(5) . . ?
C47 C46 Ru3 70.2(5) . . ?
C51 C46 Ru3 129.9(7) . . ?
C48 C47 C46 107.5(9) . . ?
C48 C47 C52 127.6(10) . . ?
C46 C47 C52 124.8(10) . . ?
C48 C47 Ru3 71.4(5) . . ?
C46 C47 Ru3 70.7(5) . . ?
C52 C47 Ru3 126.3(7) . . ?
C49 C48 C47 108.7(8) . . ?
C49 C48 C53 127.3(9) . . ?
C47 C48 C53 123.7(10) . . ?
C49 C48 Ru3 70.4(5) . . ?
C47 C48 Ru3 70.2(5) . . ?
C53 C48 Ru3 130.2(6) . . ?
C45 C49 C48 107.8(9) . . ?
C45 C49 C54 127.7(10) . . ?
C48 C49 C54 124.3(9) . . ?
C45 C49 Ru3 70.4(5) . . ?
C48 C49 Ru3 71.4(5) . . ?
C54 C49 Ru3 128.6(7) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C59 108.7(9) . . ?
C56 C55 C60 126.3(9) . . ?
C59 C55 C60 124.5(10) . . ?
C56 C55 Ru4 73.9(5) . . ?
C59 C55 Ru4 69.4(5) . . ?
C60 C55 Ru4 129.0(7) . . ?
C55 C56 C57 108.2(9) . . ?
C55 C56 C61 126.5(11) . . ?
C57 C56 C61 125.3(11) . . ?
C55 C56 Ru4 69.4(5) . . ?
C57 C56 Ru4 72.2(5) . . ?
C61 C56 Ru4 126.0(7) . . ?
C56 C57 C58 107.9(9) . . ?
C56 C57 C62 126.7(10) . . ?
C58 C57 C62 125.0(10) . . ?
C56 C57 Ru4 71.2(5) . . ?
C58 C57 Ru4 68.1(5) . . ?
C62 C57 Ru4 132.1(7) . . ?
C59 C58 C57 108.4(8) . . ?
C59 C58 C63 125.5(9) . . ?
C57 C58 C63 125.4(10) . . ?
C59 C58 Ru4 70.1(5) . . ?
C57 C58 Ru4 74.6(5) . . ?
C63 C58 Ru4 128.6(6) . . ?
C58 C59 C55 106.9(9) . . ?
C58 C59 C64 126.4(9) . . ?
C55 C59 C64 126.5(10) . . ?
C58 C59 Ru4 71.7(5) . . ?
C55 C59 Ru4 72.1(5) . . ?
C64 C59 Ru4 125.3(6) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C59 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 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 N1 C1 C2 6.3(14) . . . . ?
Ru1 N1 C1 C2 -172.0(7) . . . . ?
Ru2 N1 C1 C2 89.3(10) . . . . ?
C5 N1 C1 C7 -172.7(7) . . . . ?
Ru1 N1 C1 C7 9.0(10) . . . . ?
Ru2 N1 C1 C7 -89.8(7) . . . . ?
N1 C1 C2 C6 179.7(9) . . . . ?
C7 C1 C2 C6 -1.4(14) . . . . ?
N1 C1 C2 C3 -0.8(14) . . . . ?
C7 C1 C2 C3 178.1(8) . . . . ?
C1 C2 C3 C4 -3.6(15) . . . . ?
C6 C2 C3 C4 175.8(10) . . . . ?
C2 C3 C4 C5 2.4(16) . . . . ?
C1 N1 C5 C4 -7.3(12) . . . . ?
Ru1 N1 C5 C4 170.9(6) . . . . ?
Ru2 N1 C5 C4 -114.0(8) . . . . ?
C1 N1 C5 Ru2 106.7(7) . . . . ?
Ru1 N1 C5 Ru2 -75.1(6) . . . . ?
C3 C4 C5 N1 3.3(15) . . . . ?
C3 C4 C5 Ru2 -75.4(12) . . . . ?
C1 C2 C6 C12 2.7(16) . . . . ?
C3 C2 C6 C12 -176.8(10) . . . . ?
C11 N2 C7 C8 -1.9(13) . . . . ?
Ru1 N2 C7 C8 174.1(7) . . . . ?
C11 N2 C7 C1 177.5(8) . . . . ?
Ru1 N2 C7 C1 -6.5(10) . . . . ?
C2 C1 C7 N2 179.5(8) . . . . ?
N1 C1 C7 N2 -1.4(11) . . . . ?
C2 C1 C7 C8 -1.1(14) . . . . ?
N1 C1 C7 C8 178.0(8) . . . . ?
N2 C7 C8 C9 2.4(14) . . . . ?
C1 C7 C8 C9 -176.9(8) . . . . ?
N2 C7 C8 C12 -178.4(9) . . . . ?
C1 C7 C8 C12 2.3(14) . . . . ?
C7 C8 C9 C10 -2.0(15) . . . . ?
C12 C8 C9 C10 178.9(10) . . . . ?
C8 C9 C10 C11 1.1(16) . . . . ?
C7 N2 C11 C10 0.9(14) . . . . ?
Ru1 N2 C11 C10 -174.6(8) . . . . ?
C9 C10 C11 N2 -0.5(17) . . . . ?
C2 C6 C12 C8 -1.5(16) . . . . ?
C9 C8 C12 C6 178.1(10) . . . . ?
C7 C8 C12 C6 -1.0(15) . . . . ?
C17 C13 C14 C15 -0.3(10) . . . . ?
C18 C13 C14 C15 -178.5(9) . . . . ?
Ru1 C13 C14 C15 60.7(6) . . . . ?
C17 C13 C14 C19 172.4(9) . . . . ?
C18 C13 C14 C19 -5.8(15) . . . . ?
Ru1 C13 C14 C19 -126.6(9) . . . . ?
C17 C13 C14 Ru1 -61.1(6) . . . . ?
C18 C13 C14 Ru1 120.7(9) . . . . ?
C13 C14 C15 C16 1.3(10) . . . . ?
C19 C14 C15 C16 -171.4(8) . . . . ?
Ru1 C14 C15 C16 62.5(7) . . . . ?
C13 C14 C15 C20 176.8(9) . . . . ?
C19 C14 C15 C20 4.2(15) . . . . ?
Ru1 C14 C15 C20 -122.0(10) . . . . ?
C13 C14 C15 Ru1 -61.2(6) . . . . ?
C19 C14 C15 Ru1 126.2(9) . . . . ?
C14 C15 C16 C17 -1.7(10) . . . . ?
C20 C15 C16 C17 -177.3(9) . . . . ?
Ru1 C15 C16 C17 60.2(6) . . . . ?
C14 C15 C16 C21 173.4(9) . . . . ?
C20 C15 C16 C21 -2.2(16) . . . . ?
Ru1 C15 C16 C21 -124.7(10) . . . . ?
C14 C15 C16 Ru1 -61.9(6) . . . . ?
C20 C15 C16 Ru1 122.5(10) . . . . ?
C14 C13 C17 C16 -0.7(10) . . . . ?
C18 C13 C17 C16 177.5(9) . . . . ?
Ru1 C13 C17 C16 -61.8(6) . . . . ?
C14 C13 C17 C22 -175.7(9) . . . . ?
C18 C13 C17 C22 2.5(15) . . . . ?
Ru1 C13 C17 C22 123.3(10) . . . . ?
C14 C13 C17 Ru1 61.1(6) . . . . ?
C18 C13 C17 Ru1 -120.7(9) . . . . ?
C15 C16 C17 C13 1.5(10) . . . . ?
C21 C16 C17 C13 -173.6(9) . . . . ?
Ru1 C16 C17 C13 61.4(6) . . . . ?
C15 C16 C17 C22 176.5(9) . . . . ?
C21 C16 C17 C22 1.4(16) . . . . ?
Ru1 C16 C17 C22 -123.7(10) . . . . ?
C15 C16 C17 Ru1 -59.8(6) . . . . ?
C21 C16 C17 Ru1 125.0(10) . . . . ?
C27 C23 C24 C25 -0.7(10) . . . . ?
C28 C23 C24 C25 -173.8(9) . . . . ?
Ru2 C23 C24 C25 60.2(6) . . . . ?
C27 C23 C24 C29 173.1(9) . . . . ?
C28 C23 C24 C29 -0.1(15) . . . . ?
Ru2 C23 C24 C29 -126.0(10) . . . . ?
C27 C23 C24 Ru2 -60.9(6) . . . . ?
C28 C23 C24 Ru2 126.0(9) . . . . ?
C23 C24 C25 C26 0.6(10) . . . . ?
C29 C24 C25 C26 -173.4(8) . . . . ?
Ru2 C24 C25 C26 60.6(6) . . . . ?
C23 C24 C25 C30 178.7(9) . . . . ?
C29 C24 C25 C30 4.7(15) . . . . ?
Ru2 C24 C25 C30 -121.3(10) . . . . ?
C23 C24 C25 Ru2 -60.0(6) . . . . ?
C29 C24 C25 Ru2 126.0(9) . . . . ?
C24 C25 C26 C27 -0.4(10) . . . . ?
C30 C25 C26 C27 -178.4(9) . . . . ?
Ru2 C25 C26 C27 62.8(6) . . . . ?
C24 C25 C26 C31 174.1(9) . . . . ?
C30 C25 C26 C31 -3.9(15) . . . . ?
Ru2 C25 C26 C31 -122.6(9) . . . . ?
C24 C25 C26 Ru2 -63.2(6) . . . . ?
C30 C25 C26 Ru2 118.7(10) . . . . ?
C24 C23 C27 C26 0.4(10) . . . . ?
C28 C23 C27 C26 173.4(9) . . . . ?
Ru2 C23 C27 C26 -63.0(6) . . . . ?
C24 C23 C27 C32 -172.4(9) . . . . ?
C28 C23 C27 C32 0.6(15) . . . . ?
Ru2 C23 C27 C32 124.2(10) . . . . ?
C24 C23 C27 Ru2 63.4(6) . . . . ?
C28 C23 C27 Ru2 -123.7(10) . . . . ?
C25 C26 C27 C23 0.0(9) . . . . ?
C31 C26 C27 C23 -174.7(9) . . . . ?
Ru2 C26 C27 C23 64.4(6) . . . . ?
C25 C26 C27 C32 172.5(9) . . . . ?
C31 C26 C27 C32 -2.1(15) . . . . ?
Ru2 C26 C27 C32 -123.0(10) . . . . ?
C25 C26 C27 Ru2 -64.4(6) . . . . ?
C31 C26 C27 Ru2 121.0(9) . . . . ?
C37 N3 C33 C34 5.0(14) . . . . ?
Ru3 N3 C33 C34 -174.5(7) . . . . ?
Ru4 N3 C33 C34 88.3(10) . . . . ?
C37 N3 C33 C39 -173.0(7) . . . . ?
Ru3 N3 C33 C39 7.5(10) . . . . ?
Ru4 N3 C33 C39 -89.8(7) . . . . ?
N3 C33 C34 C38 178.9(9) . . . . ?
C39 C33 C34 C38 -3.2(14) . . . . ?
N3 C33 C34 C35 -2.2(14) . . . . ?
C39 C33 C34 C35 175.8(8) . . . . ?
C33 C34 C35 C36 -1.6(14) . . . . ?
C38 C34 C35 C36 177.3(10) . . . . ?
C34 C35 C36 C37 2.4(16) . . . . ?
C33 N3 C37 C36 -4.0(12) . . . . ?
Ru3 N3 C37 C36 175.5(6) . . . . ?
Ru4 N3 C37 C36 -110.6(8) . . . . ?
C33 N3 C37 Ru4 106.6(7) . . . . ?
Ru3 N3 C37 Ru4 -73.9(6) . . . . ?
C35 C36 C37 N3 0.5(15) . . . . ?
C35 C36 C37 Ru4 -76.4(13) . . . . ?
C33 C34 C38 C44 3.7(15) . . . . ?
C35 C34 C38 C44 -175.1(9) . . . . ?
C43 N4 C39 C40 -2.4(14) . . . . ?
Ru3 N4 C39 C40 176.2(8) . . . . ?
C43 N4 C39 C33 174.6(8) . . . . ?
Ru3 N4 C39 C33 -6.8(10) . . . . ?
C34 C33 C39 C40 -1.4(14) . . . . ?
N3 C33 C39 C40 176.7(8) . . . . ?
C34 C33 C39 N4 -178.6(8) . . . . ?
N3 C33 C39 N4 -0.4(11) . . . . ?
N4 C39 C40 C41 2.4(15) . . . . ?
C33 C39 C40 C41 -174.4(8) . . . . ?
N4 C39 C40 C44 -177.7(8) . . . . ?
C33 C39 C40 C44 5.5(14) . . . . ?
C39 C40 C41 C42 -1.0(14) . . . . ?
C44 C40 C41 C42 179.1(10) . . . . ?
C40 C41 C42 C43 -0.3(16) . . . . ?
C39 N4 C43 C42 1.0(14) . . . . ?
Ru3 N4 C43 C42 -177.4(7) . . . . ?
C41 C42 C43 N4 0.2(17) . . . . ?
C34 C38 C44 C40 0.4(15) . . . . ?
C39 C40 C44 C38 -5.0(14) . . . . ?
C41 C40 C44 C38 174.9(10) . . . . ?
C49 C45 C46 C47 -0.7(10) . . . . ?
C50 C45 C46 C47 -176.9(9) . . . . ?
Ru3 C45 C46 C47 60.8(6) . . . . ?
C49 C45 C46 C51 173.0(9) . . . . ?
C50 C45 C46 C51 -3.2(15) . . . . ?
Ru3 C45 C46 C51 -125.5(9) . . . . ?
C49 C45 C46 Ru3 -61.5(6) . . . . ?
C50 C45 C46 Ru3 122.3(9) . . . . ?
C45 C46 C47 C48 1.5(10) . . . . ?
C51 C46 C47 C48 -172.1(9) . . . . ?
Ru3 C46 C47 C48 62.4(6) . . . . ?
C45 C46 C47 C52 177.8(9) . . . . ?
C51 C46 C47 C52 4.2(15) . . . . ?
Ru3 C46 C47 C52 -121.3(9) . . . . ?
C45 C46 C47 Ru3 -60.8(6) . . . . ?
C51 C46 C47 Ru3 125.5(9) . . . . ?
C46 C47 C48 C49 -1.8(10) . . . . ?
C52 C47 C48 C49 -178.0(9) . . . . ?
Ru3 C47 C48 C49 60.1(6) . . . . ?
C46 C47 C48 C53 172.4(8) . . . . ?
C52 C47 C48 C53 -3.8(15) . . . . ?
Ru3 C47 C48 C53 -125.7(9) . . . . ?
C46 C47 C48 Ru3 -61.9(6) . . . . ?
C52 C47 C48 Ru3 122.0(10) . . . . ?
C46 C45 C49 C48 -0.4(10) . . . . ?
C50 C45 C49 C48 175.8(9) . . . . ?
Ru3 C45 C49 C48 -62.0(6) . . . . ?
C46 C45 C49 C54 -174.2(9) . . . . ?
C50 C45 C49 C54 2.1(15) . . . . ?
Ru3 C45 C49 C54 124.2(10) . . . . ?
C46 C45 C49 Ru3 61.6(6) . . . . ?
C50 C45 C49 Ru3 -122.1(9) . . . . ?
C47 C48 C49 C45 1.4(10) . . . . ?
C53 C48 C49 C45 -172.6(9) . . . . ?
Ru3 C48 C49 C45 61.3(6) . . . . ?
C47 C48 C49 C54 175.4(9) . . . . ?
C53 C48 C49 C54 1.5(14) . . . . ?
Ru3 C48 C49 C54 -124.6(9) . . . . ?
C47 C48 C49 Ru3 -59.9(6) . . . . ?
C53 C48 C49 Ru3 126.1(9) . . . . ?
C59 C55 C56 C57 1.1(10) . . . . ?
C60 C55 C56 C57 -170.9(9) . . . . ?
Ru4 C55 C56 C57 62.2(6) . . . . ?
C59 C55 C56 C61 178.8(9) . . . . ?
C60 C55 C56 C61 6.8(15) . . . . ?
Ru4 C55 C56 C61 -120.1(10) . . . . ?
C59 C55 C56 Ru4 -61.0(6) . . . . ?
C60 C55 C56 Ru4 126.9(10) . . . . ?
C55 C56 C57 C58 -2.0(10) . . . . ?
C61 C56 C57 C58 -179.7(9) . . . . ?
Ru4 C56 C57 C58 58.4(6) . . . . ?
C55 C56 C57 C62 170.6(9) . . . . ?
C61 C56 C57 C62 -7.1(15) . . . . ?
Ru4 C56 C57 C62 -129.1(10) . . . . ?
C55 C56 C57 Ru4 -60.4(6) . . . . ?
C61 C56 C57 Ru4 121.9(9) . . . . ?
C56 C57 C58 C59 2.0(9) . . . . ?
C62 C57 C58 C59 -170.7(9) . . . . ?
Ru4 C57 C58 C59 62.4(6) . . . . ?
C56 C57 C58 C63 172.9(8) . . . . ?
C62 C57 C58 C63 0.2(14) . . . . ?
Ru4 C57 C58 C63 -126.7(9) . . . . ?
C56 C57 C58 Ru4 -60.4(6) . . . . ?
C62 C57 C58 Ru4 126.9(9) . . . . ?
C57 C58 C59 C55 -1.3(9) . . . . ?
C63 C58 C59 C55 -172.1(8) . . . . ?
Ru4 C58 C59 C55 64.0(6) . . . . ?
C57 C58 C59 C64 173.8(8) . . . . ?
C63 C58 C59 C64 3.0(14) . . . . ?
Ru4 C58 C59 C64 -120.8(9) . . . . ?
C57 C58 C59 Ru4 -65.4(6) . . . . ?
C63 C58 C59 Ru4 123.8(9) . . . . ?
C56 C55 C59 C58 0.1(10) . . . . ?
C60 C55 C59 C58 172.3(8) . . . . ?
Ru4 C55 C59 C58 -63.8(6) . . . . ?
C56 C55 C59 C64 -175.1(8) . . . . ?
C60 C55 C59 C64 -2.8(14) . . . . ?
Ru4 C55 C59 C64 121.1(9) . . . . ?
C56 C55 C59 Ru4 63.9(6) . . . . ?
C60 C55 C59 Ru4 -123.9(9) . . . . ?

_refine_diff_density_max         1.523
_refine_diff_density_min         -2.360
_refine_diff_density_rms         0.183

