# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

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

data_2a
_database_code_depnum_ccdc_archive 'CCDC 2296342'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_PLAT910_2a                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    14 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.994, 
there is almost no problem in analysis.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H67 N Ru2'
_chemical_formula_weight         740.06

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                   10.7174(4)
_cell_length_b                   11.7914(6)
_cell_length_c                   15.5572(6)
_cell_angle_alpha                106.892(2)
_cell_angle_beta                 90.1440(10)
_cell_angle_gamma                100.581(2)
_cell_volume                     1845.93(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    18578
_cell_measurement_theta_min      3.262
_cell_measurement_theta_max      27.476

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_F_000             780
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.109
_exptl_absorpt_coefficient_mu    0.843
_shelx_estimated_absorpt_T_min   0.866
_shelx_estimated_absorpt_T_max   0.914
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.5642
_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            18552
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.262
_diffrn_reflns_theta_max         27.476
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8412
_reflns_number_gt                7232
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0169P)²+0.8314P] 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         8412
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0639
_refine_ls_wR_factor_gt          0.0607
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_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 0.71589(2) 0.36086(2) 0.20543(2) 0.01219(5) Uani 1 1 d . . . . .
Ru2 Ru 0.77775(2) 0.59663(2) 0.23979(2) 0.01314(5) Uani 1 1 d . . . . .
N1 N 0.73884(15) 0.45788(16) 0.11422(11) 0.0154(4) Uani 1 1 d . . . . .
C1 C 0.8532(2) 0.5334(2) 0.11074(14) 0.0187(4) Uani 1 1 d . . . . .
C2 C 0.8439(2) 0.5898(2) 0.03524(16) 0.0238(5) Uani 1 1 d . . . . .
C3 C 0.7006(2) 0.5653(2) 0.01120(17) 0.0247(5) Uani 1 1 d . . . . .
C4 C 0.6496(2) 0.4539(2) 0.04040(16) 0.0215(5) Uani 1 1 d . . . . .
C5 C 0.56403(18) 0.20693(18) 0.19363(14) 0.0156(4) Uani 1 1 d . . . . .
C6 C 0.62862(18) 0.24213(19) 0.28091(14) 0.0155(4) Uani 1 1 d . . . . .
H6 H 0.5892 0.2671 0.3361 0.019 Uiso 1 1 calc R U . . .
C7 C 0.75975(18) 0.23476(19) 0.27418(14) 0.0151(4) Uani 1 1 d . . . . .
C8 C 0.77962(18) 0.19344(18) 0.17646(14) 0.0147(4) Uani 1 1 d . . . . .
C9 C 0.65678(18) 0.17396(19) 0.13090(14) 0.0156(4) Uani 1 1 d . . . . .
H9 H 0.6401 0.1433 0.0675 0.019 Uiso 1 1 calc R U . . .
C10 C 0.42261(19) 0.1979(2) 0.17415(15) 0.0199(4) Uani 1 1 d . . . . .
C11 C 0.3484(2) 0.0887(2) 0.19868(18) 0.0291(5) Uani 1 1 d . . . . .
H11A H 0.2574 0.0808 0.1850 0.044 Uiso 1 1 calc R U . . .
H11B H 0.3636 0.1000 0.2630 0.044 Uiso 1 1 calc R U . . .
H11C H 0.3769 0.0154 0.1637 0.044 Uiso 1 1 calc R U . . .
C12 C 0.3940(2) 0.1805(2) 0.07436(16) 0.0277(5) Uani 1 1 d . . . . .
H12A H 0.3042 0.1819 0.0640 0.042 Uiso 1 1 calc R U . . .
H12B H 0.4125 0.1027 0.0387 0.042 Uiso 1 1 calc R U . . .
H12C H 0.4472 0.2458 0.0564 0.042 Uiso 1 1 calc R U . . .
C13 C 0.3798(2) 0.3127(2) 0.22980(18) 0.0310(6) Uani 1 1 d . . . . .
H13A H 0.2883 0.3048 0.2181 0.047 Uiso 1 1 calc R U . . .
H13B H 0.4258 0.3823 0.2131 0.047 Uiso 1 1 calc R U . . .
H13C H 0.3979 0.3245 0.2939 0.047 Uiso 1 1 calc R U . . .
C14 C 0.8475(2) 0.2575(2) 0.35882(14) 0.0204(5) Uani 1 1 d . . . . .
C15 C 0.9126(2) 0.1493(2) 0.35191(16) 0.0279(5) Uani 1 1 d . . . . .
H15A H 0.9574 0.1604 0.4096 0.042 Uiso 1 1 calc R U . . .
H15B H 0.9735 0.1439 0.3047 0.042 Uiso 1 1 calc R U . . .
H15C H 0.8482 0.0748 0.3370 0.042 Uiso 1 1 calc R U . . .
C16 C 0.7662(2) 0.2683(3) 0.44134(15) 0.0309(6) Uani 1 1 d . . . . .
H16A H 0.8209 0.2790 0.4948 0.046 Uiso 1 1 calc R U . . .
H16B H 0.7014 0.1946 0.4313 0.046 Uiso 1 1 calc R U . . .
H16C H 0.7248 0.3380 0.4504 0.046 Uiso 1 1 calc R U . . .
C17 C 0.9471(2) 0.3747(2) 0.38050(16) 0.0286(5) Uani 1 1 d . . . . .
H17A H 0.9994 0.3826 0.4345 0.043 Uiso 1 1 calc R U . . .
H17B H 0.9043 0.4438 0.3912 0.043 Uiso 1 1 calc R U . . .
H17C H 1.0015 0.3727 0.3297 0.043 Uiso 1 1 calc R U . . .
C18 C 0.89522(19) 0.1656(2) 0.12241(14) 0.0183(4) Uani 1 1 d . . . . .
C19 C 0.9105(2) 0.0356(2) 0.11230(16) 0.0268(5) Uani 1 1 d . . . . .
H19A H 0.9851 0.0189 0.0781 0.040 Uiso 1 1 calc R U . . .
H19B H 0.8344 -0.0208 0.0803 0.040 Uiso 1 1 calc R U . . .
H19C H 0.9217 0.0255 0.1720 0.040 Uiso 1 1 calc R U . . .
C20 C 1.0196(2) 0.2528(2) 0.16285(16) 0.0262(5) Uani 1 1 d . . . . .
H20A H 1.0862 0.2390 0.1201 0.039 Uiso 1 1 calc R U . . .
H20B H 1.0451 0.2391 0.2190 0.039 Uiso 1 1 calc R U . . .
H20C H 1.0071 0.3362 0.1753 0.039 Uiso 1 1 calc R U . . .
C21 C 0.8748(2) 0.1774(2) 0.02773(15) 0.0232(5) Uani 1 1 d . . . . .
H21A H 0.9524 0.1688 -0.0047 0.035 Uiso 1 1 calc R U . . .
H21B H 0.8548 0.2568 0.0327 0.035 Uiso 1 1 calc R U . . .
H21C H 0.8042 0.1141 -0.0051 0.035 Uiso 1 1 calc R U . . .
C22 C 0.91725(19) 0.76200(19) 0.29726(14) 0.0172(4) Uani 1 1 d . . . . .
C23 C 0.85438(19) 0.72649(19) 0.36871(14) 0.0176(4) Uani 1 1 d . . . . .
H23 H 0.8955 0.7051 0.4142 0.021 Uiso 1 1 calc R U . . .
C24 C 0.72159(19) 0.72736(19) 0.36283(14) 0.0174(4) Uani 1 1 d . . . . .
C25 C 0.69836(19) 0.76877(19) 0.28503(14) 0.0178(4) Uani 1 1 d . . . . .
C26 C 0.81952(18) 0.78843(19) 0.24695(14) 0.0169(4) Uani 1 1 d . . . . .
H26 H 0.8332 0.8154 0.1952 0.020 Uiso 1 1 calc R U . . .
C27 C 1.06085(19) 0.7866(2) 0.29049(16) 0.0221(5) Uani 1 1 d . . . . .
C28 C 1.1164(2) 0.9009(2) 0.36607(19) 0.0354(6) Uani 1 1 d . . . . .
H28A H 1.2088 0.9200 0.3625 0.053 Uiso 1 1 calc R U . . .
H28B H 1.0968 0.8879 0.4244 0.053 Uiso 1 1 calc R U . . .
H28C H 1.0791 0.9683 0.3598 0.053 Uiso 1 1 calc R U . . .
C29 C 1.0963(2) 0.8056(3) 0.20000(17) 0.0309(6) Uani 1 1 d . . . . .
H29A H 1.1891 0.8252 0.1988 0.046 Uiso 1 1 calc R U . . .
H29B H 1.0596 0.8721 0.1916 0.046 Uiso 1 1 calc R U . . .
H29C H 1.0630 0.7315 0.1515 0.046 Uiso 1 1 calc R U . . .
C30 C 1.1177(2) 0.6809(2) 0.30152(17) 0.0263(5) Uani 1 1 d . . . . .
H30A H 1.2107 0.7028 0.3051 0.040 Uiso 1 1 calc R U . . .
H30B H 1.0894 0.6095 0.2497 0.040 Uiso 1 1 calc R U . . .
H30C H 1.0893 0.6628 0.3568 0.040 Uiso 1 1 calc R U . . .
C31 C 0.6390(2) 0.7002(2) 0.43781(14) 0.0216(5) Uani 1 1 d . . . . .
C32 C 0.6454(2) 0.8201(2) 0.51326(16) 0.0321(6) Uani 1 1 d . . . . .
H32A H 0.5952 0.8051 0.5628 0.048 Uiso 1 1 calc R U . . .
H32B H 0.6111 0.8773 0.4895 0.048 Uiso 1 1 calc R U . . .
H32C H 0.7341 0.8541 0.5354 0.048 Uiso 1 1 calc R U . . .
C33 C 0.6941(2) 0.6140(2) 0.47863(17) 0.0309(6) Uani 1 1 d . . . . .
H33A H 0.6386 0.5942 0.5243 0.046 Uiso 1 1 calc R U . . .
H33B H 0.7792 0.6533 0.5065 0.046 Uiso 1 1 calc R U . . .
H33C H 0.6996 0.5398 0.4310 0.046 Uiso 1 1 calc R U . . .
C34 C 0.4999(2) 0.6397(2) 0.40877(16) 0.0278(5) Uani 1 1 d . . . . .
H34A H 0.4577 0.6186 0.4594 0.042 Uiso 1 1 calc R U . . .
H34B H 0.4968 0.5662 0.3584 0.042 Uiso 1 1 calc R U . . .
H34C H 0.4564 0.6955 0.3900 0.042 Uiso 1 1 calc R U . . .
C35 C 0.5800(2) 0.8028(2) 0.24956(16) 0.0219(5) Uani 1 1 d . . . . .
C36 C 0.5262(2) 0.8937(2) 0.32585(17) 0.0315(6) Uani 1 1 d . . . . .
H36A H 0.5944 0.9621 0.3551 0.047 Uiso 1 1 calc R U . . .
H36B H 0.4913 0.8539 0.3702 0.047 Uiso 1 1 calc R U . . .
H36C H 0.4588 0.9229 0.3007 0.047 Uiso 1 1 calc R U . . .
C37 C 0.4767(2) 0.6927(2) 0.20495(16) 0.0271(5) Uani 1 1 d . . . . .
H37A H 0.4015 0.7195 0.1879 0.041 Uiso 1 1 calc R U . . .
H37B H 0.4537 0.6460 0.2473 0.041 Uiso 1 1 calc R U . . .
H37C H 0.5086 0.6421 0.1511 0.041 Uiso 1 1 calc R U . . .
C38 C 0.6166(2) 0.8688(2) 0.17874(17) 0.0282(5) Uani 1 1 d . . . . .
H38A H 0.6788 0.9431 0.2061 0.042 Uiso 1 1 calc R U . . .
H38B H 0.5406 0.8889 0.1563 0.042 Uiso 1 1 calc R U . . .
H38C H 0.6538 0.8163 0.1287 0.042 Uiso 1 1 calc R U . . .
H1 H 0.928(2) 0.505(2) 0.1185(14) 0.011(5) Uiso 1 1 d . . . . .
H2A H 0.889(2) 0.545(2) -0.0184(18) 0.033(7) Uiso 1 1 d . . . . .
H2B H 0.879(2) 0.676(3) 0.0513(18) 0.039(8) Uiso 1 1 d . . . . .
H3A H 0.682(2) 0.555(3) -0.051(2) 0.040(8) Uiso 1 1 d . . . . .
H3B H 0.666(2) 0.632(2) 0.0435(17) 0.028(7) Uiso 1 1 d . . . . .
H4A H 0.650(2) 0.380(2) -0.0086(17) 0.028(7) Uiso 1 1 d . . . . .
H4B H 0.562(2) 0.449(2) 0.0617(17) 0.034(7) Uiso 1 1 d . . . . .
H101 H 0.847(2) 0.485(2) 0.2517(16) 0.025(6) Uiso 1 1 d . . . . .
H102 H 0.677(2) 0.490(3) 0.2705(18) 0.039(8) 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 2.0554(17) . ?
Ru1 C8 2.1322(19) . ?
Ru1 C9 2.145(2) . ?
Ru1 C6 2.166(2) . ?
Ru1 C5 2.167(2) . ?
Ru1 C7 2.180(2) . ?
Ru1 Ru2 2.6290(3) . ?
Ru1 H101 1.81(2) . ?
Ru1 H102 1.69(3) . ?
Ru2 N1 2.1342(17) . ?
Ru2 C1 2.145(2) . ?
Ru2 C22 2.179(2) . ?
Ru2 C23 2.188(2) . ?
Ru2 C26 2.193(2) . ?
Ru2 C24 2.244(2) . ?
Ru2 C25 2.269(2) . ?
Ru2 H101 1.68(2) . ?
Ru2 H102 1.68(3) . ?
N1 C1 1.387(3) . ?
N1 C4 1.477(3) . ?
C1 C2 1.520(3) . ?
C1 H1 0.94(2) . ?
C2 C3 1.534(3) . ?
C2 H2A 1.02(3) . ?
C2 H2B 0.97(3) . ?
C3 C4 1.522(3) . ?
C3 H3A 0.95(3) . ?
C3 H3B 0.94(3) . ?
C4 H4A 0.98(3) . ?
C4 H4B 0.99(3) . ?
C5 C9 1.421(3) . ?
C5 C6 1.434(3) . ?
C5 C10 1.523(3) . ?
C6 C7 1.426(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.484(3) . ?
C7 C14 1.544(3) . ?
C8 C9 1.442(3) . ?
C8 C18 1.531(3) . ?
C9 H9 0.9500 . ?
C10 C12 1.528(3) . ?
C10 C13 1.530(3) . ?
C10 C11 1.532(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C17 1.533(3) . ?
C14 C15 1.541(3) . ?
C14 C16 1.541(3) . ?
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 . ?
C18 C20 1.532(3) . ?
C18 C19 1.535(3) . ?
C18 C21 1.538(3) . ?
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 C23 1.427(3) . ?
C22 C26 1.437(3) . ?
C22 C27 1.523(3) . ?
C23 C24 1.428(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.467(3) . ?
C24 C31 1.538(3) . ?
C25 C26 1.437(3) . ?
C25 C35 1.545(3) . ?
C26 H26 0.9500 . ?
C27 C29 1.527(3) . ?
C27 C28 1.528(3) . ?
C27 C30 1.535(3) . ?
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 C34 1.534(3) . ?
C31 C33 1.542(3) . ?
C31 C32 1.543(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
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 C37 1.529(3) . ?
C35 C38 1.536(3) . ?
C35 C36 1.543(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?

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 C8 119.63(7) . . ?
N1 Ru1 C9 107.47(7) . . ?
C8 Ru1 C9 39.39(7) . . ?
N1 Ru1 C6 160.98(7) . . ?
C8 Ru1 C6 65.45(7) . . ?
C9 Ru1 C6 63.76(8) . . ?
N1 Ru1 C5 123.92(7) . . ?
C8 Ru1 C5 66.44(7) . . ?
C9 Ru1 C5 38.46(7) . . ?
C6 Ru1 C5 38.65(8) . . ?
N1 Ru1 C7 156.26(7) . . ?
C8 Ru1 C7 40.24(7) . . ?
C9 Ru1 C7 65.45(8) . . ?
C6 Ru1 C7 38.30(7) . . ?
C5 Ru1 C7 65.77(8) . . ?
N1 Ru1 Ru2 52.48(5) . . ?
C8 Ru1 Ru2 147.24(5) . . ?
C9 Ru1 Ru2 159.82(6) . . ?
C6 Ru1 Ru2 134.17(5) . . ?
C5 Ru1 Ru2 146.27(5) . . ?
C7 Ru1 Ru2 133.48(6) . . ?
N1 Ru1 H101 74.3(7) . . ?
C8 Ru1 H101 110.2(7) . . ?
C9 Ru1 H101 147.1(7) . . ?
C6 Ru1 H101 122.7(7) . . ?
C5 Ru1 H101 161.3(7) . . ?
C7 Ru1 H101 99.3(7) . . ?
Ru2 Ru1 H101 39.2(7) . . ?
N1 Ru1 H102 81.6(9) . . ?
C8 Ru1 H102 156.7(9) . . ?
C9 Ru1 H102 148.7(9) . . ?
C6 Ru1 H102 97.9(9) . . ?
C5 Ru1 H102 111.4(9) . . ?
C7 Ru1 H102 116.7(9) . . ?
Ru2 Ru1 H102 38.6(9) . . ?
H101 Ru1 H102 63.9(12) . . ?
N1 Ru2 C1 37.84(7) . . ?
N1 Ru2 C22 137.38(7) . . ?
C1 Ru2 C22 99.71(8) . . ?
N1 Ru2 C23 168.34(7) . . ?
C1 Ru2 C23 134.55(8) . . ?
C22 Ru2 C23 38.14(8) . . ?
N1 Ru2 C26 121.67(7) . . ?
C1 Ru2 C26 95.82(8) . . ?
C22 Ru2 C26 38.38(8) . . ?
C23 Ru2 C26 62.48(8) . . ?
N1 Ru2 C24 153.60(7) . . ?
C1 Ru2 C24 158.69(8) . . ?
C22 Ru2 C24 64.31(8) . . ?
C23 Ru2 C24 37.57(7) . . ?
C26 Ru2 C24 62.87(8) . . ?
N1 Ru2 C25 127.65(7) . . ?
C1 Ru2 C25 123.72(8) . . ?
C22 Ru2 C25 64.40(8) . . ?
C23 Ru2 C25 62.90(8) . . ?
C26 Ru2 C25 37.52(7) . . ?
C24 Ru2 C25 37.94(8) . . ?
N1 Ru2 Ru1 49.81(5) . . ?
C1 Ru2 Ru1 77.79(6) . . ?
C22 Ru2 Ru1 148.07(6) . . ?
C23 Ru2 Ru1 126.30(6) . . ?
C26 Ru2 Ru1 171.22(6) . . ?
C24 Ru2 Ru1 123.33(5) . . ?
C25 Ru2 Ru1 142.92(5) . . ?
N1 Ru2 H101 74.6(8) . . ?
C1 Ru2 H101 77.5(8) . . ?
C22 Ru2 H101 105.3(8) . . ?
C23 Ru2 H101 95.7(8) . . ?
C26 Ru2 H101 142.1(8) . . ?
C24 Ru2 H101 119.1(8) . . ?
C25 Ru2 H101 156.6(8) . . ?
Ru1 Ru2 H101 42.8(8) . . ?
N1 Ru2 H102 79.4(9) . . ?
C1 Ru2 H102 114.4(9) . . ?
C22 Ru2 H102 141.1(9) . . ?
C23 Ru2 H102 103.1(9) . . ?
C26 Ru2 H102 144.4(9) . . ?
C24 Ru2 H102 85.7(9) . . ?
C25 Ru2 H102 107.0(9) . . ?
Ru1 Ru2 H102 38.8(9) . . ?
H101 Ru2 H102 66.9(12) . . ?
C1 N1 C4 109.52(17) . . ?
C1 N1 Ru1 121.47(14) . . ?
C4 N1 Ru1 128.82(14) . . ?
C1 N1 Ru2 71.49(11) . . ?
C4 N1 Ru2 125.92(14) . . ?
Ru1 N1 Ru2 77.71(6) . . ?
N1 C1 C2 109.92(18) . . ?
N1 C1 Ru2 70.67(11) . . ?
C2 C1 Ru2 123.61(15) . . ?
N1 C1 H1 116.8(14) . . ?
C2 C1 H1 118.3(13) . . ?
Ru2 C1 H1 108.8(13) . . ?
C1 C2 C3 103.68(18) . . ?
C1 C2 H2A 108.7(14) . . ?
C3 C2 H2A 109.6(14) . . ?
C1 C2 H2B 114.5(16) . . ?
C3 C2 H2B 110.8(15) . . ?
H2A C2 H2B 109(2) . . ?
C4 C3 C2 103.53(19) . . ?
C4 C3 H3A 113.8(18) . . ?
C2 C3 H3A 112.3(16) . . ?
C4 C3 H3B 111.3(16) . . ?
C2 C3 H3B 109.6(16) . . ?
H3A C3 H3B 106(2) . . ?
N1 C4 C3 105.63(18) . . ?
N1 C4 H4A 108.5(14) . . ?
C3 C4 H4A 111.1(15) . . ?
N1 C4 H4B 109.2(15) . . ?
C3 C4 H4B 115.3(15) . . ?
H4A C4 H4B 107(2) . . ?
C9 C5 C6 105.82(17) . . ?
C9 C5 C10 127.78(19) . . ?
C6 C5 C10 126.24(18) . . ?
C9 C5 Ru1 69.92(11) . . ?
C6 C5 Ru1 70.64(11) . . ?
C10 C5 Ru1 127.52(14) . . ?
C7 C6 C5 111.24(17) . . ?
C7 C6 Ru1 71.38(11) . . ?
C5 C6 Ru1 70.71(11) . . ?
C7 C6 H6 124.4 . . ?
C5 C6 H6 124.4 . . ?
Ru1 C6 H6 125.1 . . ?
C6 C7 C8 105.96(17) . . ?
C6 C7 C14 121.25(18) . . ?
C8 C7 C14 132.58(17) . . ?
C6 C7 Ru1 70.32(11) . . ?
C8 C7 Ru1 68.13(11) . . ?
C14 C7 Ru1 130.02(15) . . ?
C9 C8 C7 106.12(16) . . ?
C9 C8 C18 120.22(18) . . ?
C7 C8 C18 133.59(18) . . ?
C9 C8 Ru1 70.78(11) . . ?
C7 C8 Ru1 71.63(11) . . ?
C18 C8 Ru1 124.32(14) . . ?
C5 C9 C8 110.77(18) . . ?
C5 C9 Ru1 71.61(12) . . ?
C8 C9 Ru1 69.83(11) . . ?
C5 C9 H9 124.6 . . ?
C8 C9 H9 124.6 . . ?
Ru1 C9 H9 125.5 . . ?
C5 C10 C12 110.65(17) . . ?
C5 C10 C13 110.24(18) . . ?
C12 C10 C13 109.02(19) . . ?
C5 C10 C11 108.78(18) . . ?
C12 C10 C11 108.6(2) . . ?
C13 C10 C11 109.50(19) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C14 C15 110.14(18) . . ?
C17 C14 C16 106.14(19) . . ?
C15 C14 C16 105.87(19) . . ?
C17 C14 C7 114.17(18) . . ?
C15 C14 C7 110.98(18) . . ?
C16 C14 C7 109.10(17) . . ?
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 . . ?
C8 C18 C20 113.72(18) . . ?
C8 C18 C19 110.11(17) . . ?
C20 C18 C19 109.53(18) . . ?
C8 C18 C21 109.21(16) . . ?
C20 C18 C21 105.97(18) . . ?
C19 C18 C21 108.08(18) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C26 105.01(17) . . ?
C23 C22 C27 124.56(19) . . ?
C26 C22 C27 129.55(19) . . ?
C23 C22 Ru2 71.28(12) . . ?
C26 C22 Ru2 71.35(12) . . ?
C27 C22 Ru2 129.79(15) . . ?
C22 C23 C24 111.13(19) . . ?
C22 C23 Ru2 70.58(12) . . ?
C24 C23 Ru2 73.34(12) . . ?
C22 C23 H23 124.4 . . ?
C24 C23 H23 124.4 . . ?
Ru2 C23 H23 123.2 . . ?
C23 C24 C25 106.94(18) . . ?
C23 C24 C31 118.87(19) . . ?
C25 C24 C31 133.85(18) . . ?
C23 C24 Ru2 69.09(11) . . ?
C25 C24 Ru2 71.95(11) . . ?
C31 C24 Ru2 128.51(15) . . ?
C26 C25 C24 105.70(18) . . ?
C26 C25 C35 121.59(18) . . ?
C24 C25 C35 132.36(18) . . ?
C26 C25 Ru2 68.38(11) . . ?
C24 C25 Ru2 70.11(11) . . ?
C35 C25 Ru2 130.71(15) . . ?
C25 C26 C22 111.20(18) . . ?
C25 C26 Ru2 74.10(12) . . ?
C22 C26 Ru2 70.27(12) . . ?
C25 C26 H26 124.4 . . ?
C22 C26 H26 124.4 . . ?
Ru2 C26 H26 122.8 . . ?
C22 C27 C29 111.33(18) . . ?
C22 C27 C28 107.72(18) . . ?
C29 C27 C28 109.3(2) . . ?
C22 C27 C30 110.65(18) . . ?
C29 C27 C30 108.56(19) . . ?
C28 C27 C30 109.3(2) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C34 C31 C24 115.64(19) . . ?
C34 C31 C33 105.74(19) . . ?
C24 C31 C33 110.11(17) . . ?
C34 C31 C32 110.09(18) . . ?
C24 C31 C32 107.69(19) . . ?
C33 C31 C32 107.3(2) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C37 C35 C38 107.0(2) . . ?
C37 C35 C25 112.76(19) . . ?
C38 C35 C25 110.33(17) . . ?
C37 C35 C36 110.61(19) . . ?
C38 C35 C36 105.25(19) . . ?
C25 C35 C36 110.51(19) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 N1 C1 C2 2.7(2) . . . . ?
Ru1 N1 C1 C2 178.12(14) . . . . ?
Ru2 N1 C1 C2 -119.79(17) . . . . ?
C4 N1 C1 Ru2 122.53(15) . . . . ?
Ru1 N1 C1 Ru2 -62.09(11) . . . . ?
N1 C1 C2 C3 14.6(2) . . . . ?
Ru2 C1 C2 C3 -64.9(2) . . . . ?
C1 C2 C3 C4 -25.2(2) . . . . ?
C1 N1 C4 C3 -19.3(2) . . . . ?
Ru1 N1 C4 C3 165.76(14) . . . . ?
Ru2 N1 C4 C3 61.6(2) . . . . ?
C2 C3 C4 N1 27.4(2) . . . . ?
C9 C5 C6 C7 1.4(2) . . . . ?
C10 C5 C6 C7 177.06(19) . . . . ?
Ru1 C5 C6 C7 -60.07(15) . . . . ?
C9 C5 C6 Ru1 61.46(14) . . . . ?
C10 C5 C6 Ru1 -122.9(2) . . . . ?
C5 C6 C7 C8 0.6(2) . . . . ?
Ru1 C6 C7 C8 -59.09(13) . . . . ?
C5 C6 C7 C14 -174.75(19) . . . . ?
Ru1 C6 C7 C14 125.58(19) . . . . ?
C5 C6 C7 Ru1 59.67(15) . . . . ?
C6 C7 C8 C9 -2.3(2) . . . . ?
C14 C7 C8 C9 172.3(2) . . . . ?
Ru1 C7 C8 C9 -62.81(13) . . . . ?
C6 C7 C8 C18 -179.2(2) . . . . ?
C14 C7 C8 C18 -4.6(4) . . . . ?
Ru1 C7 C8 C18 120.3(2) . . . . ?
C6 C7 C8 Ru1 60.51(14) . . . . ?
C14 C7 C8 Ru1 -124.9(2) . . . . ?
C6 C5 C9 C8 -2.9(2) . . . . ?
C10 C5 C9 C8 -178.5(2) . . . . ?
Ru1 C5 C9 C8 59.02(15) . . . . ?
C6 C5 C9 Ru1 -61.94(14) . . . . ?
C10 C5 C9 Ru1 122.5(2) . . . . ?
C7 C8 C9 C5 3.3(2) . . . . ?
C18 C8 C9 C5 -179.30(18) . . . . ?
Ru1 C8 C9 C5 -60.08(15) . . . . ?
C7 C8 C9 Ru1 63.37(13) . . . . ?
C18 C8 C9 Ru1 -119.21(18) . . . . ?
C9 C5 C10 C12 -15.8(3) . . . . ?
C6 C5 C10 C12 169.5(2) . . . . ?
Ru1 C5 C10 C12 76.9(2) . . . . ?
C9 C5 C10 C13 -136.5(2) . . . . ?
C6 C5 C10 C13 48.8(3) . . . . ?
Ru1 C5 C10 C13 -43.7(3) . . . . ?
C9 C5 C10 C11 103.5(3) . . . . ?
C6 C5 C10 C11 -71.2(3) . . . . ?
Ru1 C5 C10 C11 -163.80(16) . . . . ?
C6 C7 C14 C17 -110.3(2) . . . . ?
C8 C7 C14 C17 75.8(3) . . . . ?
Ru1 C7 C14 C17 -20.6(3) . . . . ?
C6 C7 C14 C15 124.5(2) . . . . ?
C8 C7 C14 C15 -49.4(3) . . . . ?
Ru1 C7 C14 C15 -145.76(16) . . . . ?
C6 C7 C14 C16 8.2(3) . . . . ?
C8 C7 C14 C16 -165.7(2) . . . . ?
Ru1 C7 C14 C16 98.0(2) . . . . ?
C9 C8 C18 C20 144.8(2) . . . . ?
C7 C8 C18 C20 -38.7(3) . . . . ?
Ru1 C8 C18 C20 58.4(2) . . . . ?
C9 C8 C18 C19 -91.9(2) . . . . ?
C7 C8 C18 C19 84.7(3) . . . . ?
Ru1 C8 C18 C19 -178.25(15) . . . . ?
C9 C8 C18 C21 26.6(3) . . . . ?
C7 C8 C18 C21 -156.8(2) . . . . ?
Ru1 C8 C18 C21 -59.7(2) . . . . ?
C26 C22 C23 C24 1.4(2) . . . . ?
C27 C22 C23 C24 171.6(2) . . . . ?
Ru2 C22 C23 C24 -62.47(15) . . . . ?
C26 C22 C23 Ru2 63.87(14) . . . . ?
C27 C22 C23 Ru2 -126.0(2) . . . . ?
C22 C23 C24 C25 -1.6(2) . . . . ?
Ru2 C23 C24 C25 -62.41(14) . . . . ?
C22 C23 C24 C31 -175.79(18) . . . . ?
Ru2 C23 C24 C31 123.40(18) . . . . ?
C22 C23 C24 Ru2 60.81(15) . . . . ?
C23 C24 C25 C26 1.1(2) . . . . ?
C31 C24 C25 C26 174.1(2) . . . . ?
Ru2 C24 C25 C26 -59.43(14) . . . . ?
C23 C24 C25 C35 -171.9(2) . . . . ?
C31 C24 C25 C35 1.0(4) . . . . ?
Ru2 C24 C25 C35 127.5(2) . . . . ?
C23 C24 C25 Ru2 60.55(14) . . . . ?
C31 C24 C25 Ru2 -126.5(2) . . . . ?
C24 C25 C26 C22 -0.3(2) . . . . ?
C35 C25 C26 C22 173.69(19) . . . . ?
Ru2 C25 C26 C22 -60.86(15) . . . . ?
C24 C25 C26 Ru2 60.56(14) . . . . ?
C35 C25 C26 Ru2 -125.45(19) . . . . ?
C23 C22 C26 C25 -0.7(2) . . . . ?
C27 C22 C26 C25 -170.1(2) . . . . ?
Ru2 C22 C26 C25 63.17(15) . . . . ?
C23 C22 C26 Ru2 -63.82(14) . . . . ?
C27 C22 C26 Ru2 126.7(2) . . . . ?
C23 C22 C27 C29 172.1(2) . . . . ?
C26 C22 C27 C29 -20.2(3) . . . . ?
Ru2 C22 C27 C29 78.3(2) . . . . ?
C23 C22 C27 C28 -68.1(3) . . . . ?
C26 C22 C27 C28 99.6(3) . . . . ?
Ru2 C22 C27 C28 -161.90(18) . . . . ?
C23 C22 C27 C30 51.3(3) . . . . ?
C26 C22 C27 C30 -141.0(2) . . . . ?
Ru2 C22 C27 C30 -42.5(3) . . . . ?
C23 C24 C31 C34 -149.8(2) . . . . ?
C25 C24 C31 C34 38.0(3) . . . . ?
Ru2 C24 C31 C34 -64.5(3) . . . . ?
C23 C24 C31 C33 -30.0(3) . . . . ?
C25 C24 C31 C33 157.7(2) . . . . ?
Ru2 C24 C31 C33 55.3(3) . . . . ?
C23 C24 C31 C32 86.7(2) . . . . ?
C25 C24 C31 C32 -85.6(3) . . . . ?
Ru2 C24 C31 C32 171.96(16) . . . . ?
C26 C25 C35 C37 114.0(2) . . . . ?
C24 C25 C35 C37 -73.8(3) . . . . ?
Ru2 C25 C35 C37 26.4(3) . . . . ?
C26 C25 C35 C38 -5.6(3) . . . . ?
C24 C25 C35 C38 166.5(2) . . . . ?
Ru2 C25 C35 C38 -93.3(2) . . . . ?
C26 C25 C35 C36 -121.6(2) . . . . ?
C24 C25 C35 C36 50.5(3) . . . . ?
Ru2 C25 C35 C36 150.74(17) . . . . ?

_refine_diff_density_max         0.975
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.085

####################################################################### 
# 
# 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_5a
_database_code_depnum_ccdc_archive 'CCDC 2296343'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_PLAT910_5a                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    11 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.997, 
there is almost no problem in analysis.
;
_vrf_PLAT971_5a                  
;
PROBLEM:Check Calcd Residual Density 0.76A From Ru1   2.68 eA-3
RESPONSE: The peak is close to Ru and can be ascribed to absorption 
typical for heavy atom structures.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H70 N2 Ru2'
_chemical_formula_weight         805.14

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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   10.5579(5)
_cell_length_b                   33.9623(12)
_cell_length_c                   11.0622(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.3520(10)
_cell_angle_gamma                90
_cell_volume                     3934.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    39021
_cell_measurement_theta_min      3.034
_cell_measurement_theta_max      27.479

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_F_000             1696
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.159
_exptl_crystal_size_min          0.106
_exptl_absorpt_coefficient_mu    0.798
_shelx_estimated_absorpt_T_min   0.874
_shelx_estimated_absorpt_T_max   0.920
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.5729
_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            38688
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.034
_diffrn_reflns_theta_max         27.479
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9009
_reflns_number_gt                7227
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+18.1642P] 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         9009
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0499
_refine_ls_wR_factor_ref         0.0987
_refine_ls_wR_factor_gt          0.0913
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_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 0.53120(3) 0.60827(2) 0.28755(3) 0.01565(8) Uani 1 1 d . . . . .
Ru2 Ru 0.70700(3) 0.63960(2) 0.49092(3) 0.01576(8) Uani 1 1 d . . . . .
N1 N 0.5783(3) 0.58723(9) 0.4576(3) 0.0202(7) Uani 1 1 d . . . . .
N2 N 0.5105(3) 0.65466(9) 0.4031(3) 0.0196(7) Uani 1 1 d . . . . .
C1 C 0.5481(4) 0.60842(11) 0.5573(4) 0.0198(8) Uani 1 1 d . . . . .
C2 C 0.5386(4) 0.58270(12) 0.6662(4) 0.0268(9) Uani 1 1 d . . . . .
H2A H 0.4487 0.5759 0.6736 0.032 Uiso 1 1 calc R U . . .
H2B H 0.5775 0.5955 0.7425 0.032 Uiso 1 1 calc R U . . .
C3 C 0.6148(5) 0.54647(13) 0.6361(4) 0.0306(10) Uani 1 1 d . . . . .
H3A H 0.5795 0.5222 0.6683 0.037 Uiso 1 1 calc R U . . .
H3B H 0.7058 0.5490 0.6703 0.037 Uiso 1 1 calc R U . . .
C4 C 0.5996(5) 0.54599(11) 0.4966(4) 0.0270(10) Uani 1 1 d . . . . .
H4A H 0.6775 0.5354 0.4672 0.032 Uiso 1 1 calc R U . . .
H4B H 0.5259 0.5294 0.4640 0.032 Uiso 1 1 calc R U . . .
C5 C 0.5103(4) 0.64680(11) 0.5268(3) 0.0189(8) Uani 1 1 d . . . . .
C6 C 0.4563(4) 0.68003(12) 0.5934(4) 0.0247(9) Uani 1 1 d . . . . .
H6A H 0.5058 0.6843 0.6746 0.030 Uiso 1 1 calc R U . . .
H6B H 0.3655 0.6754 0.6031 0.030 Uiso 1 1 calc R U . . .
C7 C 0.4711(5) 0.71458(12) 0.5073(4) 0.0265(9) Uani 1 1 d . . . . .
H7A H 0.4035 0.7345 0.5117 0.032 Uiso 1 1 calc R U . . .
H7B H 0.5558 0.7273 0.5263 0.032 Uiso 1 1 calc R U . . .
C8 C 0.4577(4) 0.69481(11) 0.3832(4) 0.0229(9) Uani 1 1 d . . . . .
H8A H 0.3667 0.6936 0.3479 0.027 Uiso 1 1 calc R U . . .
H8B H 0.5055 0.7096 0.3267 0.027 Uiso 1 1 calc R U . . .
C9 C 0.5818(4) 0.56869(11) 0.1441(4) 0.0180(8) Uani 1 1 d . . . . .
C10 C 0.5642(4) 0.60800(11) 0.0990(4) 0.0194(8) Uani 1 1 d . . . . .
H10 H 0.6291 0.6232 0.0694 0.023 Uiso 1 1 calc R U . . .
C11 C 0.4372(4) 0.62151(11) 0.1042(4) 0.0186(8) Uani 1 1 d . . . . .
C12 C 0.3721(4) 0.58960(11) 0.1624(4) 0.0167(8) Uani 1 1 d . . . . .
C13 C 0.4632(4) 0.55798(11) 0.1821(4) 0.0174(8) Uani 1 1 d . . . . .
H13 H 0.4461 0.5332 0.2161 0.021 Uiso 1 1 calc R U . . .
C14 C 0.6956(4) 0.54195(12) 0.1342(4) 0.0222(9) Uani 1 1 d . . . . .
C15 C 0.7138(5) 0.53820(15) -0.0004(4) 0.0388(12) Uani 1 1 d . . . . .
H15A H 0.7879 0.5215 -0.0080 0.058 Uiso 1 1 calc R U . . .
H15B H 0.7278 0.5644 -0.0336 0.058 Uiso 1 1 calc R U . . .
H15C H 0.6373 0.5264 -0.0456 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6731(5) 0.50069(13) 0.1829(5) 0.0372(12) Uani 1 1 d . . . . .
H16A H 0.7454 0.4837 0.1709 0.056 Uiso 1 1 calc R U . . .
H16B H 0.5945 0.4897 0.1391 0.056 Uiso 1 1 calc R U . . .
H16C H 0.6650 0.5023 0.2701 0.056 Uiso 1 1 calc R U . . .
C17 C 0.8164(4) 0.55929(14) 0.2041(5) 0.0345(11) Uani 1 1 d . . . . .
H17A H 0.8880 0.5412 0.1995 0.052 Uiso 1 1 calc R U . . .
H17B H 0.8038 0.5631 0.2896 0.052 Uiso 1 1 calc R U . . .
H17C H 0.8350 0.5847 0.1683 0.052 Uiso 1 1 calc R U . . .
C18 C 0.3903(4) 0.65866(12) 0.0321(4) 0.0228(9) Uani 1 1 d . . . . .
C19 C 0.3551(5) 0.64570(13) -0.1008(4) 0.0311(10) Uani 1 1 d . . . . .
H19A H 0.3238 0.6684 -0.1504 0.047 Uiso 1 1 calc R U . . .
H19B H 0.2882 0.6255 -0.1053 0.047 Uiso 1 1 calc R U . . .
H19C H 0.4307 0.6348 -0.1317 0.047 Uiso 1 1 calc R U . . .
C20 C 0.4996(4) 0.68888(12) 0.0381(4) 0.0293(10) Uani 1 1 d . . . . .
H20A H 0.4672 0.7136 0.0001 0.044 Uiso 1 1 calc R U . . .
H20B H 0.5677 0.6786 -0.0055 0.044 Uiso 1 1 calc R U . . .
H20C H 0.5336 0.6937 0.1234 0.044 Uiso 1 1 calc R U . . .
C21 C 0.2763(4) 0.68023(12) 0.0727(4) 0.0270(9) Uani 1 1 d . . . . .
H21A H 0.2575 0.7037 0.0221 0.041 Uiso 1 1 calc R U . . .
H21B H 0.2964 0.6881 0.1582 0.041 Uiso 1 1 calc R U . . .
H21C H 0.2018 0.6628 0.0638 0.041 Uiso 1 1 calc R U . . .
C22 C 0.2350(4) 0.58375(11) 0.1891(4) 0.0197(8) Uani 1 1 d . . . . .
C23 C 0.1448(4) 0.58199(13) 0.0689(4) 0.0276(9) Uani 1 1 d . . . . .
H23A H 0.1439 0.6076 0.0280 0.041 Uiso 1 1 calc R U . . .
H23B H 0.0583 0.5755 0.0858 0.041 Uiso 1 1 calc R U . . .
H23C H 0.1745 0.5617 0.0161 0.041 Uiso 1 1 calc R U . . .
C24 C 0.1936(4) 0.61535(12) 0.2746(4) 0.0270(9) Uani 1 1 d . . . . .
H24A H 0.1958 0.6412 0.2358 0.040 Uiso 1 1 calc R U . . .
H24B H 0.2518 0.6153 0.3511 0.040 Uiso 1 1 calc R U . . .
H24C H 0.1065 0.6098 0.2917 0.040 Uiso 1 1 calc R U . . .
C25 C 0.2218(4) 0.54445(13) 0.2551(4) 0.0270(9) Uani 1 1 d . . . . .
H25A H 0.1342 0.5417 0.2746 0.040 Uiso 1 1 calc R U . . .
H25B H 0.2815 0.5439 0.3306 0.040 Uiso 1 1 calc R U . . .
H25C H 0.2411 0.5227 0.2023 0.040 Uiso 1 1 calc R U . . .
C26 C 0.8592(4) 0.67507(11) 0.4196(4) 0.0193(8) Uani 1 1 d . . . . .
C27 C 0.9024(4) 0.63633(12) 0.4478(3) 0.0196(8) Uani 1 1 d . . . . .
H27 H 0.9267 0.6182 0.3896 0.023 Uiso 1 1 calc R U . . .
C28 C 0.9050(4) 0.62790(12) 0.5755(4) 0.0200(8) Uani 1 1 d . . . . .
C29 C 0.8566(4) 0.66311(11) 0.6288(3) 0.0184(8) Uani 1 1 d . . . . .
C30 C 0.8281(4) 0.69074(12) 0.5315(4) 0.0214(8) Uani 1 1 d . . . . .
H30 H 0.7931 0.7162 0.5405 0.026 Uiso 1 1 calc R U . . .
C31 C 0.8698(4) 0.69805(12) 0.3041(4) 0.0221(9) Uani 1 1 d . . . . .
C32 C 0.8502(4) 0.67175(12) 0.1919(4) 0.0277(10) Uani 1 1 d . . . . .
H32A H 0.8562 0.6876 0.1188 0.042 Uiso 1 1 calc R U . . .
H32B H 0.7657 0.6594 0.1859 0.042 Uiso 1 1 calc R U . . .
H32C H 0.9160 0.6513 0.1986 0.042 Uiso 1 1 calc R U . . .
C33 C 1.0066(4) 0.71495(12) 0.3163(4) 0.0276(10) Uani 1 1 d . . . . .
H33A H 1.0184 0.7296 0.2422 0.041 Uiso 1 1 calc R U . . .
H33B H 1.0685 0.6933 0.3275 0.041 Uiso 1 1 calc R U . . .
H33C H 1.0198 0.7326 0.3868 0.041 Uiso 1 1 calc R U . . .
C34 C 0.7745(5) 0.73203(13) 0.2883(4) 0.0306(10) Uani 1 1 d . . . . .
H34A H 0.7848 0.7465 0.2136 0.046 Uiso 1 1 calc R U . . .
H34B H 0.7899 0.7498 0.3585 0.046 Uiso 1 1 calc R U . . .
H34C H 0.6874 0.7216 0.2826 0.046 Uiso 1 1 calc R U . . .
C35 C 0.9872(4) 0.59280(12) 0.6272(4) 0.0260(9) Uani 1 1 d . . . . .
C36 C 0.9663(5) 0.55716(13) 0.5410(4) 0.0337(11) Uani 1 1 d . . . . .
H36A H 0.9916 0.5641 0.4615 0.050 Uiso 1 1 calc R U . . .
H36B H 0.8758 0.5497 0.5309 0.050 Uiso 1 1 calc R U . . .
H36C H 1.0180 0.5350 0.5757 0.050 Uiso 1 1 calc R U . . .
C37 C 0.9689(5) 0.57761(13) 0.7541(4) 0.0321(11) Uani 1 1 d . . . . .
H37A H 0.8810 0.5682 0.7534 0.048 Uiso 1 1 calc R U . . .
H37B H 0.9855 0.5990 0.8136 0.048 Uiso 1 1 calc R U . . .
H37C H 1.0284 0.5559 0.7765 0.048 Uiso 1 1 calc R U . . .
C38 C 1.1269(5) 0.60582(15) 0.6311(4) 0.0364(11) Uani 1 1 d . . . . .
H38A H 1.1434 0.6134 0.5491 0.055 Uiso 1 1 calc R U . . .
H38B H 1.1834 0.5840 0.6606 0.055 Uiso 1 1 calc R U . . .
H38C H 1.1431 0.6284 0.6863 0.055 Uiso 1 1 calc R U . . .
C39 C 0.8490(4) 0.67584(12) 0.7609(4) 0.0221(9) Uani 1 1 d . . . . .
C40 C 0.9863(4) 0.68124(14) 0.8267(4) 0.0310(10) Uani 1 1 d . . . . .
H40A H 0.9827 0.6917 0.9088 0.047 Uiso 1 1 calc R U . . .
H40B H 1.0329 0.6997 0.7806 0.047 Uiso 1 1 calc R U . . .
H40C H 1.0303 0.6558 0.8324 0.047 Uiso 1 1 calc R U . . .
C41 C 0.7736(4) 0.64715(13) 0.8311(4) 0.0277(9) Uani 1 1 d . . . . .
H41A H 0.7888 0.6533 0.9183 0.042 Uiso 1 1 calc R U . . .
H41B H 0.8015 0.6201 0.8178 0.042 Uiso 1 1 calc R U . . .
H41C H 0.6823 0.6496 0.8022 0.042 Uiso 1 1 calc R U . . .
C42 C 0.7836(4) 0.71589(13) 0.7641(4) 0.0285(10) Uani 1 1 d . . . . .
H42A H 0.7716 0.7223 0.8483 0.043 Uiso 1 1 calc R U . . .
H42B H 0.7003 0.7150 0.7136 0.043 Uiso 1 1 calc R U . . .
H42C H 0.8369 0.7361 0.7326 0.043 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 2.015(3) . ?
Ru1 N2 2.058(3) . ?
Ru1 C12 2.132(4) . ?
Ru1 C13 2.140(4) . ?
Ru1 C10 2.158(4) . ?
Ru1 C11 2.188(4) . ?
Ru1 C9 2.197(4) . ?
Ru1 Ru2 2.9274(4) . ?
Ru2 C30 2.170(4) . ?
Ru2 C5 2.178(4) . ?
Ru2 C27 2.180(4) . ?
Ru2 C1 2.189(4) . ?
Ru2 C29 2.200(4) . ?
Ru2 C28 2.215(4) . ?
Ru2 C26 2.232(4) . ?
Ru2 N2 2.235(3) . ?
Ru2 N1 2.240(3) . ?
N1 C1 1.387(5) . ?
N1 C4 1.474(5) . ?
N2 C5 1.395(5) . ?
N2 C8 1.479(5) . ?
C1 C5 1.392(5) . ?
C1 C2 1.502(5) . ?
C2 C3 1.530(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.530(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.500(5) . ?
C6 C7 1.532(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.518(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C13 1.418(5) . ?
C9 C10 1.429(5) . ?
C9 C14 1.521(5) . ?
C10 C11 1.425(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.475(5) . ?
C11 C18 1.539(5) . ?
C12 C13 1.439(5) . ?
C12 C22 1.527(5) . ?
C13 H13 0.9500 . ?
C14 C17 1.523(6) . ?
C14 C15 1.530(6) . ?
C14 C16 1.531(6) . ?
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 . ?
C18 C21 1.525(6) . ?
C18 C19 1.535(6) . ?
C18 C20 1.539(6) . ?
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 C24 1.531(5) . ?
C22 C23 1.535(6) . ?
C22 C25 1.536(6) . ?
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 C27 1.414(5) . ?
C26 C30 1.424(5) . ?
C26 C31 1.513(5) . ?
C27 C28 1.439(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.454(5) . ?
C28 C35 1.541(6) . ?
C29 C30 1.430(5) . ?
C29 C39 1.536(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.522(6) . ?
C31 C34 1.527(6) . ?
C31 C33 1.544(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
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 C37 1.531(6) . ?
C35 C38 1.534(7) . ?
C35 C36 1.540(6) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C42 1.528(6) . ?
C39 C41 1.531(6) . ?
C39 C40 1.548(6) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 N2 74.03(13) . . ?
N1 Ru1 C12 125.51(14) . . ?
N2 Ru1 C12 119.59(14) . . ?
N1 Ru1 C13 104.56(14) . . ?
N2 Ru1 C13 153.48(14) . . ?
C12 Ru1 C13 39.38(14) . . ?
N1 Ru1 C10 148.20(14) . . ?
N2 Ru1 C10 130.28(13) . . ?
C12 Ru1 C10 65.30(15) . . ?
C13 Ru1 C10 63.52(15) . . ?
N1 Ru1 C11 165.30(14) . . ?
N2 Ru1 C11 110.30(13) . . ?
C12 Ru1 C11 39.89(14) . . ?
C13 Ru1 C11 65.03(14) . . ?
C10 Ru1 C11 38.29(14) . . ?
N1 Ru1 C9 113.80(14) . . ?
N2 Ru1 C9 166.39(14) . . ?
C12 Ru1 C9 65.99(14) . . ?
C13 Ru1 C9 38.14(14) . . ?
C10 Ru1 C9 38.29(14) . . ?
C11 Ru1 C9 65.14(14) . . ?
N1 Ru1 Ru2 49.81(9) . . ?
N2 Ru1 Ru2 49.59(9) . . ?
C12 Ru1 Ru2 167.58(10) . . ?
C13 Ru1 Ru2 147.62(10) . . ?
C10 Ru1 Ru2 125.41(11) . . ?
C11 Ru1 Ru2 143.68(10) . . ?
C9 Ru1 Ru2 126.05(10) . . ?
C30 Ru2 C5 115.02(15) . . ?
C30 Ru2 C27 62.40(15) . . ?
C5 Ru2 C27 175.90(15) . . ?
C30 Ru2 C1 140.77(15) . . ?
C5 Ru2 C1 37.19(14) . . ?
C27 Ru2 C1 146.79(15) . . ?
C30 Ru2 C29 38.19(14) . . ?
C5 Ru2 C29 116.74(15) . . ?
C27 Ru2 C29 63.53(14) . . ?
C1 Ru2 C29 117.14(15) . . ?
C30 Ru2 C28 63.67(15) . . ?
C5 Ru2 C28 144.49(15) . . ?
C27 Ru2 C28 38.22(14) . . ?
C1 Ru2 C28 119.60(15) . . ?
C29 Ru2 C28 38.45(14) . . ?
C30 Ru2 C26 37.73(14) . . ?
C5 Ru2 C26 138.63(14) . . ?
C27 Ru2 C26 37.38(14) . . ?
C1 Ru2 C26 175.79(15) . . ?
C29 Ru2 C26 64.12(15) . . ?
C28 Ru2 C26 64.07(15) . . ?
C30 Ru2 N2 113.37(14) . . ?
C5 Ru2 N2 36.82(13) . . ?
C27 Ru2 N2 140.23(13) . . ?
C1 Ru2 N2 63.13(13) . . ?
C29 Ru2 N2 139.69(13) . . ?
C28 Ru2 N2 176.91(14) . . ?
C26 Ru2 N2 113.14(13) . . ?
C30 Ru2 N1 177.22(14) . . ?
C5 Ru2 N1 63.04(13) . . ?
C27 Ru2 N1 119.66(13) . . ?
C1 Ru2 N1 36.50(13) . . ?
C29 Ru2 N1 140.23(13) . . ?
C28 Ru2 N1 116.55(13) . . ?
C26 Ru2 N1 145.05(13) . . ?
N2 Ru2 N1 66.45(12) . . ?
C30 Ru2 Ru1 138.51(11) . . ?
C5 Ru2 Ru1 69.82(10) . . ?
C27 Ru2 Ru1 109.76(10) . . ?
C1 Ru2 Ru1 69.16(11) . . ?
C29 Ru2 Ru1 173.12(11) . . ?
C28 Ru2 Ru1 136.98(10) . . ?
C26 Ru2 Ru1 109.81(10) . . ?
N2 Ru2 Ru1 44.52(8) . . ?
N1 Ru2 Ru1 43.40(9) . . ?
C1 N1 C4 107.6(3) . . ?
C1 N1 Ru1 120.2(3) . . ?
C4 N1 Ru1 128.4(3) . . ?
C1 N1 Ru2 69.7(2) . . ?
C4 N1 Ru2 129.8(3) . . ?
Ru1 N1 Ru2 86.78(12) . . ?
C5 N2 C8 105.9(3) . . ?
C5 N2 Ru1 118.5(2) . . ?
C8 N2 Ru1 133.0(3) . . ?
C5 N2 Ru2 69.4(2) . . ?
C8 N2 Ru2 126.0(3) . . ?
Ru1 N2 Ru2 85.89(12) . . ?
N1 C1 C5 112.4(3) . . ?
N1 C1 C2 112.4(3) . . ?
C5 C1 C2 133.8(4) . . ?
N1 C1 Ru2 73.8(2) . . ?
C5 C1 Ru2 71.0(2) . . ?
C2 C1 Ru2 133.1(3) . . ?
C1 C2 C3 101.6(3) . . ?
C1 C2 H2A 111.4 . . ?
C3 C2 H2A 111.4 . . ?
C1 C2 H2B 111.4 . . ?
C3 C2 H2B 111.4 . . ?
H2A C2 H2B 109.3 . . ?
C2 C3 C4 103.8(3) . . ?
C2 C3 H3A 111.0 . . ?
C4 C3 H3A 111.0 . . ?
C2 C3 H3B 111.0 . . ?
C4 C3 H3B 111.0 . . ?
H3A C3 H3B 109.0 . . ?
N1 C4 C3 106.1(3) . . ?
N1 C4 H4A 110.5 . . ?
C3 C4 H4A 110.5 . . ?
N1 C4 H4B 110.5 . . ?
C3 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C1 C5 N2 112.4(3) . . ?
C1 C5 C6 134.5(4) . . ?
N2 C5 C6 112.8(3) . . ?
C1 C5 Ru2 71.8(2) . . ?
N2 C5 Ru2 73.8(2) . . ?
C6 C5 Ru2 127.3(3) . . ?
C5 C6 C7 101.2(3) . . ?
C5 C6 H6A 111.5 . . ?
C7 C6 H6A 111.5 . . ?
C5 C6 H6B 111.5 . . ?
C7 C6 H6B 111.5 . . ?
H6A C6 H6B 109.3 . . ?
C8 C7 C6 102.6(3) . . ?
C8 C7 H7A 111.2 . . ?
C6 C7 H7A 111.2 . . ?
C8 C7 H7B 111.2 . . ?
C6 C7 H7B 111.2 . . ?
H7A C7 H7B 109.2 . . ?
N2 C8 C7 106.5(3) . . ?
N2 C8 H8A 110.4 . . ?
C7 C8 H8A 110.4 . . ?
N2 C8 H8B 110.4 . . ?
C7 C8 H8B 110.4 . . ?
H8A C8 H8B 108.6 . . ?
C13 C9 C10 105.2(3) . . ?
C13 C9 C14 127.1(3) . . ?
C10 C9 C14 127.0(4) . . ?
C13 C9 Ru1 68.7(2) . . ?
C10 C9 Ru1 69.4(2) . . ?
C14 C9 Ru1 133.2(3) . . ?
C11 C10 C9 111.6(3) . . ?
C11 C10 Ru1 72.0(2) . . ?
C9 C10 Ru1 72.3(2) . . ?
C11 C10 H10 124.2 . . ?
C9 C10 H10 124.2 . . ?
Ru1 C10 H10 123.0 . . ?
C10 C11 C12 105.9(3) . . ?
C10 C11 C18 119.0(3) . . ?
C12 C11 C18 133.8(3) . . ?
C10 C11 Ru1 69.7(2) . . ?
C12 C11 Ru1 68.0(2) . . ?
C18 C11 Ru1 136.5(3) . . ?
C13 C12 C11 106.0(3) . . ?
C13 C12 C22 120.3(3) . . ?
C11 C12 C22 133.3(3) . . ?
C13 C12 Ru1 70.6(2) . . ?
C11 C12 Ru1 72.1(2) . . ?
C22 C12 Ru1 126.9(3) . . ?
C9 C13 C12 111.2(3) . . ?
C9 C13 Ru1 73.1(2) . . ?
C12 C13 Ru1 70.0(2) . . ?
C9 C13 H13 124.4 . . ?
C12 C13 H13 124.4 . . ?
Ru1 C13 H13 124.0 . . ?
C9 C14 C17 110.5(3) . . ?
C9 C14 C15 108.6(4) . . ?
C17 C14 C15 109.0(4) . . ?
C9 C14 C16 111.2(3) . . ?
C17 C14 C16 109.4(4) . . ?
C15 C14 C16 108.1(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 . . ?
C21 C18 C19 108.4(4) . . ?
C21 C18 C11 117.1(3) . . ?
C19 C18 C11 106.5(3) . . ?
C21 C18 C20 106.4(3) . . ?
C19 C18 C20 108.7(4) . . ?
C11 C18 C20 109.6(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C12 C22 C24 112.4(3) . . ?
C12 C22 C23 109.6(3) . . ?
C24 C22 C23 111.6(3) . . ?
C12 C22 C25 110.6(3) . . ?
C24 C22 C25 105.4(3) . . ?
C23 C22 C25 107.1(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C30 105.1(3) . . ?
C27 C26 C31 127.5(4) . . ?
C30 C26 C31 126.3(3) . . ?
C27 C26 Ru2 69.3(2) . . ?
C30 C26 Ru2 68.8(2) . . ?
C31 C26 Ru2 135.3(3) . . ?
C26 C27 C28 111.5(3) . . ?
C26 C27 Ru2 73.3(2) . . ?
C28 C27 Ru2 72.2(2) . . ?
C26 C27 H27 124.3 . . ?
C28 C27 H27 124.3 . . ?
Ru2 C27 H27 121.8 . . ?
C27 C28 C29 105.7(3) . . ?
C27 C28 C35 117.2(3) . . ?
C29 C28 C35 134.2(3) . . ?
C27 C28 Ru2 69.6(2) . . ?
C29 C28 Ru2 70.3(2) . . ?
C35 C28 Ru2 138.8(3) . . ?
C30 C29 C28 106.6(3) . . ?
C30 C29 C39 119.9(3) . . ?
C28 C29 C39 132.9(4) . . ?
C30 C29 Ru2 69.7(2) . . ?
C28 C29 Ru2 71.3(2) . . ?
C39 C29 Ru2 129.9(3) . . ?
C26 C30 C29 111.0(3) . . ?
C26 C30 Ru2 73.5(2) . . ?
C29 C30 Ru2 72.1(2) . . ?
C26 C30 H30 124.5 . . ?
C29 C30 H30 124.5 . . ?
Ru2 C30 H30 121.5 . . ?
C26 C31 C32 111.6(3) . . ?
C26 C31 C34 111.6(3) . . ?
C32 C31 C34 109.3(4) . . ?
C26 C31 C33 106.7(3) . . ?
C32 C31 C33 108.5(4) . . ?
C34 C31 C33 109.0(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C37 C35 C38 107.7(4) . . ?
C37 C35 C36 106.1(4) . . ?
C38 C35 C36 107.8(4) . . ?
C37 C35 C28 118.0(4) . . ?
C38 C35 C28 106.3(4) . . ?
C36 C35 C28 110.4(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C42 C39 C41 106.8(4) . . ?
C42 C39 C29 110.6(3) . . ?
C41 C39 C29 113.4(3) . . ?
C42 C39 C40 106.4(3) . . ?
C41 C39 C40 110.7(4) . . ?
C29 C39 C40 108.7(3) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 N1 C1 C5 -172.4(4) . . . . ?
Ru1 N1 C1 C5 -12.6(5) . . . . ?
Ru2 N1 C1 C5 60.9(3) . . . . ?
C4 N1 C1 C2 -3.8(5) . . . . ?
Ru1 N1 C1 C2 156.0(3) . . . . ?
Ru2 N1 C1 C2 -130.5(3) . . . . ?
C4 N1 C1 Ru2 126.8(3) . . . . ?
Ru1 N1 C1 Ru2 -73.5(2) . . . . ?
N1 C1 C2 C3 20.5(5) . . . . ?
C5 C1 C2 C3 -174.2(5) . . . . ?
Ru2 C1 C2 C3 -67.9(5) . . . . ?
C1 C2 C3 C4 -27.9(4) . . . . ?
C1 N1 C4 C3 -14.9(5) . . . . ?
Ru1 N1 C4 C3 -172.5(3) . . . . ?
Ru2 N1 C4 C3 63.0(5) . . . . ?
C2 C3 C4 N1 27.1(5) . . . . ?
N1 C1 C5 N2 0.6(5) . . . . ?
C2 C1 C5 N2 -164.7(4) . . . . ?
Ru2 C1 C5 N2 63.1(3) . . . . ?
N1 C1 C5 C6 172.7(4) . . . . ?
C2 C1 C5 C6 7.4(8) . . . . ?
Ru2 C1 C5 C6 -124.8(5) . . . . ?
N1 C1 C5 Ru2 -62.5(3) . . . . ?
C2 C1 C5 Ru2 132.2(5) . . . . ?
C8 N2 C5 C1 175.1(3) . . . . ?
Ru1 N2 C5 C1 11.2(5) . . . . ?
Ru2 N2 C5 C1 -61.9(3) . . . . ?
C8 N2 C5 C6 1.1(5) . . . . ?
Ru1 N2 C5 C6 -162.7(3) . . . . ?
Ru2 N2 C5 C6 124.2(3) . . . . ?
C8 N2 C5 Ru2 -123.0(3) . . . . ?
Ru1 N2 C5 Ru2 73.1(2) . . . . ?
C1 C5 C6 C7 167.1(5) . . . . ?
N2 C5 C6 C7 -20.8(5) . . . . ?
Ru2 C5 C6 C7 65.7(4) . . . . ?
C5 C6 C7 C8 30.8(4) . . . . ?
C5 N2 C8 C7 19.7(4) . . . . ?
Ru1 N2 C8 C7 -179.8(3) . . . . ?
Ru2 N2 C8 C7 -56.1(4) . . . . ?
C6 C7 C8 N2 -32.0(4) . . . . ?
C13 C9 C10 C11 -1.9(4) . . . . ?
C14 C9 C10 C11 169.1(4) . . . . ?
Ru1 C9 C10 C11 -61.7(3) . . . . ?
C13 C9 C10 Ru1 59.7(3) . . . . ?
C14 C9 C10 Ru1 -129.2(4) . . . . ?
C9 C10 C11 C12 3.2(4) . . . . ?
Ru1 C10 C11 C12 -58.6(3) . . . . ?
C9 C10 C11 C18 -165.3(3) . . . . ?
Ru1 C10 C11 C18 132.8(3) . . . . ?
C9 C10 C11 Ru1 61.9(3) . . . . ?
C10 C11 C12 C13 -3.2(4) . . . . ?
C18 C11 C12 C13 162.9(4) . . . . ?
Ru1 C11 C12 C13 -62.9(3) . . . . ?
C10 C11 C12 C22 -176.0(4) . . . . ?
C18 C11 C12 C22 -9.9(8) . . . . ?
Ru1 C11 C12 C22 124.2(4) . . . . ?
C10 C11 C12 Ru1 59.7(3) . . . . ?
C18 C11 C12 Ru1 -134.2(5) . . . . ?
C10 C9 C13 C12 -0.2(4) . . . . ?
C14 C9 C13 C12 -171.2(4) . . . . ?
Ru1 C9 C13 C12 59.9(3) . . . . ?
C10 C9 C13 Ru1 -60.1(3) . . . . ?
C14 C9 C13 Ru1 128.8(4) . . . . ?
C11 C12 C13 C9 2.1(4) . . . . ?
C22 C12 C13 C9 176.1(3) . . . . ?
Ru1 C12 C13 C9 -61.8(3) . . . . ?
C11 C12 C13 Ru1 63.9(3) . . . . ?
C22 C12 C13 Ru1 -122.1(3) . . . . ?
C13 C9 C14 C17 -127.1(4) . . . . ?
C10 C9 C14 C17 63.7(5) . . . . ?
Ru1 C9 C14 C17 -32.1(5) . . . . ?
C13 C9 C14 C15 113.4(5) . . . . ?
C10 C9 C14 C15 -55.7(5) . . . . ?
Ru1 C9 C14 C15 -151.6(3) . . . . ?
C13 C9 C14 C16 -5.5(6) . . . . ?
C10 C9 C14 C16 -174.6(4) . . . . ?
Ru1 C9 C14 C16 89.6(5) . . . . ?
C10 C11 C18 C21 -159.2(4) . . . . ?
C12 C11 C18 C21 36.2(6) . . . . ?
Ru1 C11 C18 C21 -68.7(5) . . . . ?
C10 C11 C18 C19 79.4(5) . . . . ?
C12 C11 C18 C19 -85.2(5) . . . . ?
Ru1 C11 C18 C19 169.9(3) . . . . ?
C10 C11 C18 C20 -37.9(5) . . . . ?
C12 C11 C18 C20 157.4(4) . . . . ?
Ru1 C11 C18 C20 52.5(5) . . . . ?
C13 C12 C22 C24 126.5(4) . . . . ?
C11 C12 C22 C24 -61.4(6) . . . . ?
Ru1 C12 C22 C24 38.9(5) . . . . ?
C13 C12 C22 C23 -108.8(4) . . . . ?
C11 C12 C22 C23 63.3(5) . . . . ?
Ru1 C12 C22 C23 163.6(3) . . . . ?
C13 C12 C22 C25 9.1(5) . . . . ?
C11 C12 C22 C25 -178.9(4) . . . . ?
Ru1 C12 C22 C25 -78.5(4) . . . . ?
C30 C26 C27 C28 -2.7(5) . . . . ?
C31 C26 C27 C28 165.5(4) . . . . ?
Ru2 C26 C27 C28 -62.6(3) . . . . ?
C30 C26 C27 Ru2 59.8(3) . . . . ?
C31 C26 C27 Ru2 -132.0(4) . . . . ?
C26 C27 C28 C29 1.9(5) . . . . ?
Ru2 C27 C28 C29 -61.4(3) . . . . ?
C26 C27 C28 C35 -161.5(4) . . . . ?
Ru2 C27 C28 C35 135.3(4) . . . . ?
C26 C27 C28 Ru2 63.2(3) . . . . ?
C27 C28 C29 C30 -0.2(4) . . . . ?
C35 C28 C29 C30 158.9(5) . . . . ?
Ru2 C28 C29 C30 -61.1(3) . . . . ?
C27 C28 C29 C39 -171.6(4) . . . . ?
C35 C28 C29 C39 -12.4(8) . . . . ?
Ru2 C28 C29 C39 127.5(5) . . . . ?
C27 C28 C29 Ru2 60.9(3) . . . . ?
C35 C28 C29 Ru2 -139.9(5) . . . . ?
C27 C26 C30 C29 2.6(5) . . . . ?
C31 C26 C30 C29 -165.8(4) . . . . ?
Ru2 C26 C30 C29 62.7(3) . . . . ?
C27 C26 C30 Ru2 -60.2(3) . . . . ?
C31 C26 C30 Ru2 131.4(4) . . . . ?
C28 C29 C30 C26 -1.5(5) . . . . ?
C39 C29 C30 C26 171.2(4) . . . . ?
Ru2 C29 C30 C26 -63.6(3) . . . . ?
C28 C29 C30 Ru2 62.2(3) . . . . ?
C39 C29 C30 Ru2 -125.1(4) . . . . ?
C27 C26 C31 C32 37.6(6) . . . . ?
C30 C26 C31 C32 -156.6(4) . . . . ?
Ru2 C26 C31 C32 -60.7(5) . . . . ?
C27 C26 C31 C34 160.2(4) . . . . ?
C30 C26 C31 C34 -34.0(6) . . . . ?
Ru2 C26 C31 C34 62.0(5) . . . . ?
C27 C26 C31 C33 -80.9(5) . . . . ?
C30 C26 C31 C33 84.9(5) . . . . ?
Ru2 C26 C31 C33 -179.1(3) . . . . ?
C27 C28 C35 C37 -166.7(4) . . . . ?
C29 C28 C35 C37 35.9(7) . . . . ?
Ru2 C28 C35 C37 -77.3(5) . . . . ?
C27 C28 C35 C38 72.2(5) . . . . ?
C29 C28 C35 C38 -85.1(6) . . . . ?
Ru2 C28 C35 C38 161.7(4) . . . . ?
C27 C28 C35 C36 -44.5(5) . . . . ?
C29 C28 C35 C36 158.2(5) . . . . ?
Ru2 C28 C35 C36 45.0(6) . . . . ?
C30 C29 C39 C42 11.6(5) . . . . ?
C28 C29 C39 C42 -177.9(4) . . . . ?
Ru2 C29 C39 C42 -76.1(4) . . . . ?
C30 C29 C39 C41 131.6(4) . . . . ?
C28 C29 C39 C41 -58.0(6) . . . . ?
Ru2 C29 C39 C41 43.9(5) . . . . ?
C30 C29 C39 C40 -104.8(4) . . . . ?
C28 C29 C39 C40 65.6(6) . . . . ?
Ru2 C29 C39 C40 167.4(3) . . . . ?

_refine_diff_density_max         3.070
_refine_diff_density_min         -1.694
_refine_diff_density_rms         0.127

####################################################################### 
# 
# 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_12
_database_code_depnum_ccdc_archive 'CCDC 2296349'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT910_12                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    15 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.992, 
there is almost no problem in analysis.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H60 O Ru2'
_chemical_formula_weight         698.97

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   11.7256(3)
_cell_length_b                   10.3388(4)
_cell_length_c                   28.2062(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.8140(10)
_cell_angle_gamma                90
_cell_volume                     3417.69(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    27982
_cell_measurement_theta_min      3.441
_cell_measurement_theta_max      25.349

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_F_000             1464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.344
_exptl_crystal_size_mid          0.294
_exptl_crystal_size_min          0.152
_exptl_absorpt_coefficient_mu    0.907
_shelx_estimated_absorpt_T_min   0.745
_shelx_estimated_absorpt_T_max   0.874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7203
_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            26962
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.441
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             6210
_reflns_number_gt                5930
_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-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0230P)²+2.8659P] 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         6210
_refine_ls_number_parameters     416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0205
_refine_ls_wR_factor_ref         0.0532
_refine_ls_wR_factor_gt          0.0524
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_restrained_S_all      0.963
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.48546(2) 0.58277(2) 0.63110(2) 0.01357(5) Uani 1 1 d . . . . .
Ru2 Ru 0.28568(2) 0.64663(2) 0.62686(2) 0.01459(5) Uani 1 1 d . . . . .
O1 O 0.38162(12) 0.57743(16) 0.53087(5) 0.0338(4) Uani 1 1 d . . . . .
C1 C 0.38358(15) 0.59195(18) 0.57215(7) 0.0205(4) Uani 1 1 d . . . . .
C2 C 0.60500(14) 0.41974(16) 0.62674(6) 0.0167(4) Uani 1 1 d . . . . .
C3 C 0.62478(14) 0.48838(17) 0.66985(6) 0.0183(4) Uani 1 1 d . . . . .
H3 H 0.618038 0.452097 0.700581 0.022 Uiso 1 1 calc R U . . .
C4 C 0.65638(14) 0.62024(18) 0.66067(6) 0.0170(3) Uani 1 1 d . . . . .
C5 C 0.65961(14) 0.63376(17) 0.60919(6) 0.0156(3) Uani 1 1 d . . . . .
C6 C 0.62632(14) 0.51017(17) 0.59012(6) 0.0159(3) Uani 1 1 d . . . . .
H6 H 0.619417 0.491235 0.557195 0.019 Uiso 1 1 calc R U . . .
C7 C 0.57769(15) 0.27727(18) 0.62077(7) 0.0223(4) Uani 1 1 d . . . . .
C8 C 0.50343(19) 0.2287(2) 0.66070(8) 0.0352(5) Uani 1 1 d . . . . .
H8A H 0.488529 0.136135 0.656428 0.053 Uiso 1 1 calc R U . . .
H8B H 0.430951 0.276011 0.659918 0.053 Uiso 1 1 calc R U . . .
H8C H 0.543241 0.242994 0.691326 0.053 Uiso 1 1 calc R U . . .
C9 C 0.69162(18) 0.2037(2) 0.62232(10) 0.0393(5) Uani 1 1 d . . . . .
H9A H 0.676975 0.110696 0.619445 0.059 Uiso 1 1 calc R U . . .
H9B H 0.732450 0.221308 0.652485 0.059 Uiso 1 1 calc R U . . .
H9C H 0.738110 0.232291 0.596014 0.059 Uiso 1 1 calc R U . . .
C10 C 0.51583(18) 0.2520(2) 0.57325(7) 0.0299(4) Uani 1 1 d . . . . .
H10A H 0.502198 0.158970 0.569535 0.045 Uiso 1 1 calc R U . . .
H10B H 0.562863 0.282808 0.547458 0.045 Uiso 1 1 calc R U . . .
H10C H 0.442704 0.297968 0.572250 0.045 Uiso 1 1 calc R U . . .
C11 C 0.68627(16) 0.71218(19) 0.70212(7) 0.0238(4) Uani 1 1 d . . . . .
C12 C 0.81493(18) 0.7006(2) 0.71307(8) 0.0357(5) Uani 1 1 d . . . . .
H12A H 0.836527 0.758532 0.739351 0.054 Uiso 1 1 calc R U . . .
H12B H 0.856951 0.724670 0.684911 0.054 Uiso 1 1 calc R U . . .
H12C H 0.833450 0.611215 0.721942 0.054 Uiso 1 1 calc R U . . .
C13 C 0.6237(2) 0.6694(2) 0.74675(7) 0.0342(5) Uani 1 1 d . . . . .
H13A H 0.640935 0.730230 0.772662 0.051 Uiso 1 1 calc R U . . .
H13B H 0.649249 0.582579 0.756094 0.051 Uiso 1 1 calc R U . . .
H13C H 0.541304 0.668349 0.739873 0.051 Uiso 1 1 calc R U . . .
C14 C 0.6522(2) 0.8535(2) 0.69380(8) 0.0335(5) Uani 1 1 d . . . . .
H14A H 0.670538 0.904103 0.722420 0.050 Uiso 1 1 calc R U . . .
H14B H 0.570053 0.858620 0.686486 0.050 Uiso 1 1 calc R U . . .
H14C H 0.694191 0.888368 0.667150 0.050 Uiso 1 1 calc R U . . .
C15 C 0.69642(15) 0.74473(18) 0.57642(6) 0.0204(4) Uani 1 1 d . . . . .
C16 C 0.60734(17) 0.85287(18) 0.57247(8) 0.0274(4) Uani 1 1 d . . . . .
H16A H 0.589663 0.883568 0.604281 0.041 Uiso 1 1 calc R U . . .
H16B H 0.537733 0.819624 0.556649 0.041 Uiso 1 1 calc R U . . .
H16C H 0.637622 0.924596 0.553963 0.041 Uiso 1 1 calc R U . . .
C17 C 0.81331(17) 0.7999(2) 0.59157(8) 0.0321(5) Uani 1 1 d . . . . .
H17A H 0.807729 0.843508 0.622256 0.048 Uiso 1 1 calc R U . . .
H17B H 0.837945 0.862054 0.567742 0.048 Uiso 1 1 calc R U . . .
H17C H 0.868978 0.729400 0.594391 0.048 Uiso 1 1 calc R U . . .
C18 C 0.70934(19) 0.6917(2) 0.52590(7) 0.0315(5) Uani 1 1 d . . . . .
H18A H 0.635397 0.659723 0.513704 0.047 Uiso 1 1 calc R U . . .
H18B H 0.764775 0.620718 0.526582 0.047 Uiso 1 1 calc R U . . .
H18C H 0.736075 0.760830 0.505244 0.047 Uiso 1 1 calc R U . . .
C19 C 0.10865(15) 0.57845(17) 0.61985(7) 0.0198(4) Uani 1 1 d . . . . .
C20 C 0.13549(15) 0.65634(18) 0.58046(7) 0.0221(4) Uani 1 1 d . . . . .
H20 H 0.134728 0.626656 0.548573 0.026 Uiso 1 1 calc R U . . .
C21 C 0.16393(15) 0.78548(19) 0.59477(7) 0.0253(4) Uani 1 1 d . . . . .
C22 C 0.15593(15) 0.78775(18) 0.64645(7) 0.0240(4) Uani 1 1 d . . . . .
C23 C 0.12086(15) 0.66035(18) 0.65991(7) 0.0214(4) Uani 1 1 d . . . . .
H23 H 0.107570 0.634351 0.691561 0.026 Uiso 1 1 calc R U . . .
C24 C 0.06568(16) 0.43971(19) 0.61832(8) 0.0278(4) Uani 1 1 d . . . . .
C25 C 0.1249(3) 0.3635(3) 0.58067(13) 0.0722(11) Uani 1 1 d . . . . .
H25A H 0.115046 0.407615 0.550060 0.108 Uiso 1 1 calc R U . . .
H25B H 0.091668 0.276682 0.578412 0.108 Uiso 1 1 calc R U . . .
H25C H 0.206397 0.356803 0.589097 0.108 Uiso 1 1 calc R U . . .
C26 C -0.0619(2) 0.4425(3) 0.60769(17) 0.0829(13) Uani 1 1 d . . . . .
H26A H -0.077239 0.487326 0.577539 0.124 Uiso 1 1 calc R U . . .
H26B H -0.099962 0.488257 0.633185 0.124 Uiso 1 1 calc R U . . .
H26C H -0.090946 0.353767 0.605466 0.124 Uiso 1 1 calc R U . . .
C27 C 0.0878(3) 0.3737(3) 0.66548(12) 0.0738(10) Uani 1 1 d . . . . .
H27A H 0.059812 0.284485 0.663727 0.111 Uiso 1 1 calc R U . . .
H27B H 0.047888 0.420425 0.690248 0.111 Uiso 1 1 calc R U . . .
H27C H 0.169899 0.373505 0.673059 0.111 Uiso 1 1 calc R U . . .
C28 C 0.18471(18) 0.8906(2) 0.55720(9) 0.0390(6) Uani 1 1 d . . . . .
C29 C 0.0937(2) 0.9923(2) 0.55834(10) 0.0463(6) Uani 1 1 d . . . . .
H29A H 0.104742 1.054446 0.532637 0.070 Uiso 1 1 calc R U . . .
H29B H 0.098364 1.037498 0.588887 0.070 Uiso 1 1 calc R U . . .
H29C H 0.018610 0.951580 0.554234 0.070 Uiso 1 1 calc R U . . .
C30 C 0.3055(3) 0.9313(3) 0.55326(14) 0.0337(11) Uani 0.674(6) 1 d . . P A 1
H30A H 0.309734 1.004821 0.531472 0.051 Uiso 0.674(6) 1 calc R U P A 1
H30B H 0.350282 0.859111 0.541100 0.051 Uiso 0.674(6) 1 calc R U P A 1
H30C H 0.336349 0.956636 0.584594 0.051 Uiso 0.674(6) 1 calc R U P A 1
C31 C 0.1549(3) 0.8254(3) 0.50444(12) 0.0335(9) Uani 0.674(6) 1 d . . P A 1
H31A H 0.164399 0.890708 0.479689 0.050 Uiso 0.674(6) 1 calc R U P A 1
H31B H 0.075887 0.794268 0.503363 0.050 Uiso 0.674(6) 1 calc R U P A 1
H31C H 0.206678 0.752847 0.499140 0.050 Uiso 0.674(6) 1 calc R U P A 1
C30A C 0.2851(6) 1.0021(6) 0.5825(3) 0.031(2) Uani 0.326(6) 1 d . . P A 2
C31A C 0.2326(8) 0.8520(7) 0.5177(3) 0.039(2) Uani 0.326(6) 1 d . . P A 2
C32 C 0.17027(19) 0.8933(2) 0.68429(10) 0.0395(6) Uani 1 1 d . . . . .
C33 C 0.0516(5) 0.9671(5) 0.6838(2) 0.0527(15) Uani 0.684(7) 1 d . . P B 1
H33A H -0.008300 0.907723 0.693731 0.079 Uiso 0.684(7) 1 calc R U P B 1
H33B H 0.033327 0.998530 0.651710 0.079 Uiso 0.684(7) 1 calc R U P B 1
H33C H 0.056529 1.040493 0.705770 0.079 Uiso 0.684(7) 1 calc R U P B 1
C34 C 0.2622(3) 0.9949(3) 0.67021(14) 0.0390(12) Uani 0.684(7) 1 d . . P B 1
H34A H 0.268059 1.062449 0.694559 0.059 Uiso 0.684(7) 1 calc R U P B 1
H34B H 0.239979 1.034048 0.639649 0.059 Uiso 0.684(7) 1 calc R U P B 1
H34C H 0.336273 0.951950 0.667612 0.059 Uiso 0.684(7) 1 calc R U P B 1
C35 C 0.1990(5) 0.8391(4) 0.72985(14) 0.0497(12) Uani 0.684(7) 1 d . . P B 1
H35A H 0.139087 0.778680 0.738915 0.075 Uiso 0.684(7) 1 calc R U P B 1
H35B H 0.205755 0.908556 0.753412 0.075 Uiso 0.684(7) 1 calc R U P B 1
H35C H 0.271811 0.792951 0.728393 0.075 Uiso 0.684(7) 1 calc R U P B 1
C33A C 0.0957(10) 1.0035(10) 0.6810(4) 0.037(2) Uani 0.316(7) 1 d . . P B 2
C34A C 0.2983(6) 0.9326(7) 0.7008(3) 0.033(2) Uani 0.316(7) 1 d . . P B 2
C35A C 0.1330(9) 0.8297(7) 0.7391(3) 0.035(2) Uani 0.316(7) 1 d . . P B 2
H1 H 0.360(2) 0.537(3) 0.6604(10) 0.053(8) Uiso 1 1 d . . . . .
H2 H 0.412(2) 0.719(2) 0.6464(8) 0.039(6) Uiso 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 2.0187(19) . ?
Ru1 C3 2.1685(17) . ?
Ru1 C6 2.1792(16) . ?
Ru1 C4 2.1810(17) . ?
Ru1 C2 2.1982(17) . ?
Ru1 C5 2.2159(16) . ?
Ru1 Ru2 2.43300(19) . ?
Ru1 H1 1.78(3) . ?
Ru1 H2 1.71(2) . ?
Ru2 C1 2.0325(18) . ?
Ru2 C20 2.1631(19) . ?
Ru2 C23 2.1767(17) . ?
Ru2 C22 2.1914(18) . ?
Ru2 C19 2.1953(18) . ?
Ru2 C21 2.1992(18) . ?
Ru2 H1 1.70(3) . ?
Ru2 H2 1.74(2) . ?
O1 C1 1.173(2) . ?
C2 C3 1.421(3) . ?
C2 C6 1.421(2) . ?
C2 C7 1.516(2) . ?
C3 C4 1.438(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.461(2) . ?
C4 C11 1.539(3) . ?
C5 C6 1.436(2) . ?
C5 C15 1.543(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.530(3) . ?
C7 C10 1.526(3) . ?
C7 C9 1.537(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C14 1.531(3) . ?
C11 C12 1.535(3) . ?
C11 C13 1.541(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.532(3) . ?
C15 C17 1.533(3) . ?
C15 C18 1.539(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C23 1.416(3) . ?
C19 C20 1.416(3) . ?
C19 C24 1.520(3) . ?
C20 C21 1.431(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.464(3) . ?
C21 C28 1.543(3) . ?
C22 C23 1.435(3) . ?
C22 C32 1.532(3) . ?
C23 H23 0.9500 . ?
C24 C27 1.510(4) . ?
C24 C25 1.509(3) . ?
C24 C26 1.517(3) . ?
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 . ?
C28 C31A 1.325(7) . ?
C28 C30 1.485(4) . ?
C28 C29 1.499(3) . ?
C28 C31 1.661(5) . ?
C28 C30A 1.781(7) . ?
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 C33A 1.437(10) . ?
C32 C35 1.432(5) . ?
C32 C34 1.566(4) . ?
C32 C33 1.586(6) . ?
C32 C34A 1.610(7) . ?
C32 C35A 1.748(9) . ?
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 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 C3 148.54(7) . . ?
C1 Ru1 C6 91.02(7) . . ?
C3 Ru1 C6 62.67(7) . . ?
C1 Ru1 C4 145.01(7) . . ?
C3 Ru1 C4 38.62(7) . . ?
C6 Ru1 C4 63.98(7) . . ?
C1 Ru1 C2 110.59(7) . . ?
C3 Ru1 C2 37.96(7) . . ?
C6 Ru1 C2 37.89(6) . . ?
C4 Ru1 C2 65.02(7) . . ?
C1 Ru1 C5 106.59(7) . . ?
C3 Ru1 C5 63.99(6) . . ?
C6 Ru1 C5 38.12(6) . . ?
C4 Ru1 C5 38.79(6) . . ?
C2 Ru1 C5 64.65(6) . . ?
C1 Ru1 Ru2 53.35(5) . . ?
C3 Ru1 Ru2 148.83(5) . . ?
C6 Ru1 Ru2 144.30(5) . . ?
C4 Ru1 Ru2 147.38(5) . . ?
C2 Ru1 Ru2 145.09(5) . . ?
C5 Ru1 Ru2 144.69(4) . . ?
C1 Ru1 H1 85.3(9) . . ?
C3 Ru1 H1 105.5(9) . . ?
C6 Ru1 H1 143.8(9) . . ?
C4 Ru1 H1 129.4(9) . . ?
C2 Ru1 H1 111.0(9) . . ?
C5 Ru1 H1 168.1(9) . . ?
Ru2 Ru1 H1 44.4(9) . . ?
C1 Ru1 H2 83.2(8) . . ?
C3 Ru1 H2 128.2(8) . . ?
C6 Ru1 H2 144.1(8) . . ?
C4 Ru1 H2 102.6(8) . . ?
C2 Ru1 H2 166.1(8) . . ?
C5 Ru1 H2 110.3(8) . . ?
Ru2 Ru1 H2 45.6(8) . . ?
H1 Ru1 H2 71.1(12) . . ?
C1 Ru2 C20 91.26(7) . . ?
C1 Ru2 C23 150.89(7) . . ?
C20 Ru2 C23 62.56(7) . . ?
C1 Ru2 C22 142.18(8) . . ?
C20 Ru2 C22 64.10(7) . . ?
C23 Ru2 C22 38.34(7) . . ?
C1 Ru2 C19 113.42(7) . . ?
C20 Ru2 C19 37.90(7) . . ?
C23 Ru2 C19 37.78(7) . . ?
C22 Ru2 C19 64.81(7) . . ?
C1 Ru2 C21 104.12(7) . . ?
C20 Ru2 C21 38.29(7) . . ?
C23 Ru2 C21 63.90(7) . . ?
C22 Ru2 C21 38.95(8) . . ?
C19 Ru2 C21 64.71(7) . . ?
C1 Ru2 Ru1 52.83(5) . . ?
C20 Ru2 Ru1 143.75(5) . . ?
C23 Ru2 Ru1 149.67(5) . . ?
C22 Ru2 Ru1 147.49(5) . . ?
C19 Ru2 Ru1 145.44(5) . . ?
C21 Ru2 Ru1 143.98(5) . . ?
C1 Ru2 H1 86.8(9) . . ?
C20 Ru2 H1 139.4(10) . . ?
C23 Ru2 H1 104.6(9) . . ?
C22 Ru2 H1 130.7(9) . . ?
C19 Ru2 H1 107.5(9) . . ?
C21 Ru2 H1 168.4(9) . . ?
Ru1 Ru2 H1 46.9(9) . . ?
C1 Ru2 H2 82.1(8) . . ?
C20 Ru2 H2 147.5(8) . . ?
C23 Ru2 H2 126.8(8) . . ?
C22 Ru2 H2 103.1(8) . . ?
C19 Ru2 H2 164.5(8) . . ?
C21 Ru2 H2 112.7(8) . . ?
Ru1 Ru2 H2 44.7(8) . . ?
H1 Ru2 H2 72.3(12) . . ?
O1 C1 Ru1 143.50(15) . . ?
O1 C1 Ru2 142.66(15) . . ?
Ru1 C1 Ru2 73.82(6) . . ?
C3 C2 C6 105.42(15) . . ?
C3 C2 C7 127.50(16) . . ?
C6 C2 C7 126.87(16) . . ?
C3 C2 Ru1 69.89(10) . . ?
C6 C2 Ru1 70.33(9) . . ?
C7 C2 Ru1 128.21(12) . . ?
C2 C3 C4 110.82(15) . . ?
C2 C3 Ru1 72.15(10) . . ?
C4 C3 Ru1 71.16(10) . . ?
C2 C3 H3 124.6 . . ?
C4 C3 H3 124.6 . . ?
Ru1 C3 H3 123.7 . . ?
C3 C4 C5 106.53(15) . . ?
C3 C4 C11 120.17(16) . . ?
C5 C4 C11 133.15(16) . . ?
C3 C4 Ru1 70.22(10) . . ?
C5 C4 Ru1 71.89(9) . . ?
C11 C4 Ru1 125.79(12) . . ?
C6 C5 C4 105.79(15) . . ?
C6 C5 C15 121.00(15) . . ?
C4 C5 C15 133.09(16) . . ?
C6 C5 Ru1 69.56(9) . . ?
C4 C5 Ru1 69.32(9) . . ?
C15 C5 Ru1 128.43(12) . . ?
C2 C6 C5 111.41(15) . . ?
C2 C6 Ru1 71.78(10) . . ?
C5 C6 Ru1 72.32(9) . . ?
C2 C6 H6 124.3 . . ?
C5 C6 H6 124.3 . . ?
Ru1 C6 H6 123.2 . . ?
C2 C7 C8 111.11(16) . . ?
C2 C7 C10 110.91(15) . . ?
C8 C7 C10 108.94(16) . . ?
C2 C7 C9 107.29(15) . . ?
C8 C7 C9 109.35(18) . . ?
C10 C7 C9 109.20(17) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C14 C11 C12 110.81(17) . . ?
C14 C11 C4 114.90(16) . . ?
C12 C11 C4 107.67(16) . . ?
C14 C11 C13 105.68(17) . . ?
C12 C11 C13 107.65(17) . . ?
C4 C11 C13 109.92(15) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 110.51(16) . . ?
C16 C15 C18 106.24(16) . . ?
C17 C15 C18 106.10(16) . . ?
C16 C15 C5 112.53(14) . . ?
C17 C15 C5 111.98(15) . . ?
C18 C15 C5 109.10(15) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C23 C19 C20 105.48(16) . . ?
C23 C19 C24 127.74(17) . . ?
C20 C19 C24 126.58(18) . . ?
C23 C19 Ru2 70.40(10) . . ?
C20 C19 Ru2 69.82(10) . . ?
C24 C19 Ru2 128.10(12) . . ?
C19 C20 C21 111.39(17) . . ?
C19 C20 Ru2 72.28(11) . . ?
C21 C20 Ru2 72.22(11) . . ?
C19 C20 H20 124.3 . . ?
C21 C20 H20 124.3 . . ?
Ru2 C20 H20 122.7 . . ?
C20 C21 C22 105.92(16) . . ?
C20 C21 C28 120.26(19) . . ?
C22 C21 C28 133.56(19) . . ?
C20 C21 Ru2 69.49(10) . . ?
C22 C21 Ru2 70.23(10) . . ?
C28 C21 Ru2 128.90(13) . . ?
C23 C22 C21 106.06(17) . . ?
C23 C22 C32 119.73(19) . . ?
C21 C22 C32 134.11(19) . . ?
C23 C22 Ru2 70.28(10) . . ?
C21 C22 Ru2 70.81(10) . . ?
C32 C22 Ru2 126.03(14) . . ?
C19 C23 C22 111.14(17) . . ?
C19 C23 Ru2 71.82(10) . . ?
C22 C23 Ru2 71.38(10) . . ?
C19 C23 H23 124.4 . . ?
C22 C23 H23 124.4 . . ?
Ru2 C23 H23 123.9 . . ?
C27 C24 C25 108.3(3) . . ?
C27 C24 C26 108.9(3) . . ?
C25 C24 C26 110.1(3) . . ?
C27 C24 C19 110.71(19) . . ?
C25 C24 C19 110.68(18) . . ?
C26 C24 C19 108.15(18) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C31A C28 C29 123.4(4) . . ?
C30 C28 C29 119.0(2) . . ?
C31A C28 C21 116.4(3) . . ?
C30 C28 C21 115.0(2) . . ?
C29 C28 C21 110.59(18) . . ?
C30 C28 C31 102.8(2) . . ?
C29 C28 C31 100.0(2) . . ?
C21 C28 C31 107.2(2) . . ?
C31A C28 C30A 103.8(5) . . ?
C29 C28 C30A 90.0(3) . . ?
C21 C28 C30A 107.3(3) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33A C32 C22 117.9(5) . . ?
C35 C32 C22 111.3(2) . . ?
C35 C32 C34 110.2(3) . . ?
C22 C32 C34 111.3(2) . . ?
C35 C32 C33 112.1(3) . . ?
C22 C32 C33 105.1(3) . . ?
C34 C32 C33 106.6(3) . . ?
C33A C32 C34A 112.2(5) . . ?
C22 C32 C34A 117.5(3) . . ?
C33A C32 C35A 100.7(5) . . ?
C22 C32 C35A 108.9(3) . . ?
C34A C32 C35A 95.5(4) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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
C6 C2 C3 C4 0.83(19) . . . . ?
C7 C2 C3 C4 175.72(16) . . . . ?
Ru1 C2 C3 C4 -60.96(12) . . . . ?
C6 C2 C3 Ru1 61.79(11) . . . . ?
C7 C2 C3 Ru1 -123.32(17) . . . . ?
C2 C3 C4 C5 -1.62(19) . . . . ?
Ru1 C3 C4 C5 -63.17(11) . . . . ?
C2 C3 C4 C11 -177.79(15) . . . . ?
Ru1 C3 C4 C11 120.65(15) . . . . ?
C2 C3 C4 Ru1 61.56(12) . . . . ?
C3 C4 C5 C6 1.72(18) . . . . ?
C11 C4 C5 C6 177.19(18) . . . . ?
Ru1 C4 C5 C6 -60.35(11) . . . . ?
C3 C4 C5 C15 -174.11(17) . . . . ?
C11 C4 C5 C15 1.4(3) . . . . ?
Ru1 C4 C5 C15 123.82(19) . . . . ?
C3 C4 C5 Ru1 62.07(11) . . . . ?
C11 C4 C5 Ru1 -122.5(2) . . . . ?
C3 C2 C6 C5 0.31(19) . . . . ?
C7 C2 C6 C5 -174.63(16) . . . . ?
Ru1 C2 C6 C5 61.80(12) . . . . ?
C3 C2 C6 Ru1 -61.49(11) . . . . ?
C7 C2 C6 Ru1 123.57(17) . . . . ?
C4 C5 C6 C2 -1.29(19) . . . . ?
C15 C5 C6 C2 175.16(15) . . . . ?
Ru1 C5 C6 C2 -61.48(12) . . . . ?
C4 C5 C6 Ru1 60.19(11) . . . . ?
C15 C5 C6 Ru1 -123.36(15) . . . . ?
C3 C2 C7 C8 35.3(2) . . . . ?
C6 C2 C7 C8 -150.88(18) . . . . ?
Ru1 C2 C7 C8 -57.7(2) . . . . ?
C3 C2 C7 C10 156.60(18) . . . . ?
C6 C2 C7 C10 -29.6(2) . . . . ?
Ru1 C2 C7 C10 63.6(2) . . . . ?
C3 C2 C7 C9 -84.2(2) . . . . ?
C6 C2 C7 C9 89.6(2) . . . . ?
Ru1 C2 C7 C9 -177.22(15) . . . . ?
C3 C4 C11 C14 -146.40(18) . . . . ?
C5 C4 C11 C14 38.6(3) . . . . ?
Ru1 C4 C11 C14 -60.0(2) . . . . ?
C3 C4 C11 C12 89.6(2) . . . . ?
C5 C4 C11 C12 -85.4(2) . . . . ?
Ru1 C4 C11 C12 175.98(13) . . . . ?
C3 C4 C11 C13 -27.4(2) . . . . ?
C5 C4 C11 C13 157.65(19) . . . . ?
Ru1 C4 C11 C13 59.0(2) . . . . ?
C6 C5 C15 C16 108.28(19) . . . . ?
C4 C5 C15 C16 -76.4(2) . . . . ?
Ru1 C5 C15 C16 20.8(2) . . . . ?
C6 C5 C15 C17 -126.52(18) . . . . ?
C4 C5 C15 C17 48.8(3) . . . . ?
Ru1 C5 C15 C17 145.97(14) . . . . ?
C6 C5 C15 C18 -9.4(2) . . . . ?
C4 C5 C15 C18 165.95(18) . . . . ?
Ru1 C5 C15 C18 -96.88(18) . . . . ?
C23 C19 C20 C21 -0.2(2) . . . . ?
C24 C19 C20 C21 174.92(17) . . . . ?
Ru2 C19 C20 C21 -62.00(13) . . . . ?
C23 C19 C20 Ru2 61.79(12) . . . . ?
C24 C19 C20 Ru2 -123.08(18) . . . . ?
C19 C20 C21 C22 0.9(2) . . . . ?
Ru2 C20 C21 C22 -61.17(12) . . . . ?
C19 C20 C21 C28 -174.04(16) . . . . ?
Ru2 C20 C21 C28 123.92(16) . . . . ?
C19 C20 C21 Ru2 62.04(13) . . . . ?
C20 C21 C22 C23 -1.15(19) . . . . ?
C28 C21 C22 C23 172.77(19) . . . . ?
Ru2 C21 C22 C23 -61.83(12) . . . . ?
C20 C21 C22 C32 -177.3(2) . . . . ?
C28 C21 C22 C32 -3.4(4) . . . . ?
Ru2 C21 C22 C32 122.0(2) . . . . ?
C20 C21 C22 Ru2 60.68(12) . . . . ?
C28 C21 C22 Ru2 -125.4(2) . . . . ?
C20 C19 C23 C22 -0.6(2) . . . . ?
C24 C19 C23 C22 -175.62(17) . . . . ?
Ru2 C19 C23 C22 60.84(13) . . . . ?
C20 C19 C23 Ru2 -61.41(12) . . . . ?
C24 C19 C23 Ru2 123.54(18) . . . . ?
C21 C22 C23 C19 1.1(2) . . . . ?
C32 C22 C23 C19 177.91(17) . . . . ?
Ru2 C22 C23 C19 -61.10(13) . . . . ?
C21 C22 C23 Ru2 62.19(12) . . . . ?
C32 C22 C23 Ru2 -120.99(18) . . . . ?
C23 C19 C24 C27 -26.9(3) . . . . ?
C20 C19 C24 C27 159.0(2) . . . . ?
Ru2 C19 C24 C27 67.0(3) . . . . ?
C23 C19 C24 C25 -147.0(2) . . . . ?
C20 C19 C24 C25 38.9(3) . . . . ?
Ru2 C19 C24 C25 -53.1(3) . . . . ?
C23 C19 C24 C26 92.3(3) . . . . ?
C20 C19 C24 C26 -81.8(3) . . . . ?
Ru2 C19 C24 C26 -173.8(2) . . . . ?
C20 C21 C28 C31A -33.9(6) . . . . ?
C22 C21 C28 C31A 152.8(5) . . . . ?
Ru2 C21 C28 C31A 53.2(6) . . . . ?
C20 C21 C28 C30 -108.2(3) . . . . ?
C22 C21 C28 C30 78.6(3) . . . . ?
Ru2 C21 C28 C30 -21.1(4) . . . . ?
C20 C21 C28 C29 113.6(2) . . . . ?
C22 C21 C28 C29 -59.6(3) . . . . ?
Ru2 C21 C28 C29 -159.29(18) . . . . ?
C20 C21 C28 C31 5.5(3) . . . . ?
C22 C21 C28 C31 -167.7(2) . . . . ?
Ru2 C21 C28 C31 92.6(2) . . . . ?
C20 C21 C28 C30A -149.7(3) . . . . ?
C22 C21 C28 C30A 37.1(4) . . . . ?
Ru2 C21 C28 C30A -62.6(3) . . . . ?
C23 C22 C32 C33A -115.8(6) . . . . ?
C21 C22 C32 C33A 59.9(6) . . . . ?
Ru2 C22 C32 C33A 157.9(6) . . . . ?
C23 C22 C32 C35 27.8(4) . . . . ?
C21 C22 C32 C35 -156.5(3) . . . . ?
Ru2 C22 C32 C35 -58.5(3) . . . . ?
C23 C22 C32 C34 151.2(2) . . . . ?
C21 C22 C32 C34 -33.1(4) . . . . ?
Ru2 C22 C32 C34 64.9(3) . . . . ?
C23 C22 C32 C33 -93.8(3) . . . . ?
C21 C22 C32 C33 81.9(3) . . . . ?
Ru2 C22 C32 C33 179.9(3) . . . . ?
C23 C22 C32 C34A 104.9(4) . . . . ?
C21 C22 C32 C34A -79.3(5) . . . . ?
Ru2 C22 C32 C34A 18.7(4) . . . . ?
C23 C22 C32 C35A -2.0(4) . . . . ?
C21 C22 C32 C35A 173.7(4) . . . . ?
Ru2 C22 C32 C35A -88.3(4) . . . . ?

_refine_diff_density_max         0.387
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.059

####################################################################### 
# 
# 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_5b
_database_code_depnum_ccdc_archive 'CCDC 2296344'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_PLAT910_5b                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    15 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.996, 
there is almost no problem in analysis.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H74 N2 Ru2'
_chemical_formula_weight         833.19

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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

_cell_length_a                   16.9579(4)
_cell_length_b                   17.0098(5)
_cell_length_c                   28.8179(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8312.5(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    82416
_cell_measurement_theta_min      3.034
_cell_measurement_theta_max      27.471

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_F_000             3520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.171
_exptl_crystal_size_min          0.125
_exptl_absorpt_coefficient_mu    0.758
_shelx_estimated_absorpt_T_min   0.793
_shelx_estimated_absorpt_T_max   0.911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5701
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      143(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            78815
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         3.034
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9473
_reflns_number_gt                7749
_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-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0358P)²+12.5071P] 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         9473
_refine_ls_number_parameters     483
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0358
_refine_ls_wR_factor_ref         0.0870
_refine_ls_wR_factor_gt          0.0819
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.46667(2) 0.25281(2) 0.42391(2) 0.02070(6) Uani 1 1 d . . . . .
Ru2 Ru 0.54681(2) 0.27232(2) 0.33474(2) 0.01951(6) Uani 1 1 d . . . . .
N1 N 0.57580(13) 0.29994(14) 0.40774(8) 0.0248(5) Uani 1 1 d . . . . .
N2 N 0.44745(13) 0.33106(14) 0.37101(8) 0.0260(5) Uani 1 1 d . . . . .
C1 C 0.57813(18) 0.36819(17) 0.38129(10) 0.0295(6) Uani 1 1 d . . . . .
C2 C 0.6471(2) 0.4254(2) 0.38078(13) 0.0423(8) Uani 1 1 d . . . . .
H2A H 0.657(2) 0.449(2) 0.3468(14) 0.054(11) Uiso 1 1 d . . . . .
H2B H 0.633(3) 0.480(3) 0.4007(18) 0.101(17) Uiso 1 1 d . . . . .
C3 C 0.7248(4) 0.3875(5) 0.4007(3) 0.046(2) Uani 0.616(13) 1 d . . P A 1
H3A H 0.749462 0.353498 0.376928 0.055 Uiso 0.616(13) 1 calc R U P A 1
H3B H 0.762782 0.429305 0.409153 0.055 Uiso 0.616(13) 1 calc R U P A 1
C4 C 0.7039(4) 0.3387(4) 0.4437(3) 0.044(2) Uani 0.616(13) 1 d . . P A 1
H4A H 0.752545 0.316540 0.457474 0.053 Uiso 0.616(13) 1 calc R U P A 1
H4B H 0.678323 0.372643 0.467200 0.053 Uiso 0.616(13) 1 calc R U P A 1
C3A C 0.7058(8) 0.4110(8) 0.4139(5) 0.049(4) Uiso 0.384(13) 1 d . . P A 2
H3A1 H 0.687550 0.427598 0.445002 0.059 Uiso 0.384(13) 1 calc R U P A 2
H3A2 H 0.754122 0.441031 0.406137 0.059 Uiso 0.384(13) 1 calc R U P A 2
C4A C 0.7230(5) 0.3243(7) 0.4136(5) 0.045(3) Uani 0.384(13) 1 d . . P A 2
H4A1 H 0.768599 0.313548 0.434026 0.054 Uiso 0.384(13) 1 calc R U P A 2
H4A2 H 0.737283 0.307922 0.381720 0.054 Uiso 0.384(13) 1 calc R U P A 2
C5 C 0.65039(18) 0.2749(2) 0.43048(12) 0.0420(8) Uani 1 1 d . . . . .
C6 C 0.50455(18) 0.38567(18) 0.36067(11) 0.0303(6) Uani 1 1 d . . . . .
C7 C 0.4824(3) 0.4647(2) 0.34006(15) 0.0584(12) Uani 1 1 d . . . . .
C8 C 0.4082(3) 0.4918(3) 0.3655(2) 0.0447(18) Uani 0.678(10) 1 d . . P . .
C8A C 0.4144(7) 0.4810(6) 0.3247(4) 0.041(4) Uani 0.322(10) 1 d . . P . .
C9 C 0.3431(2) 0.4335(2) 0.36192(15) 0.0566(11) Uani 1 1 d . . . . .
C10 C 0.36991(17) 0.35029(18) 0.35049(11) 0.0322(7) Uani 1 1 d . . . . .
H10A H 0.330149 0.312504 0.362114 0.039 Uiso 1 1 calc R U . . .
H10B H 0.373057 0.344305 0.316366 0.039 Uiso 1 1 calc R U . . .
C11 C 0.37251(16) 0.16770(17) 0.43826(10) 0.0264(6) Uani 1 1 d . . . . .
C12 C 0.35555(17) 0.24147(18) 0.45839(10) 0.0288(6) Uani 1 1 d . . . . .
H12 H 0.310560 0.272395 0.451129 0.035 Uiso 1 1 calc R U . . .
C13 C 0.41547(17) 0.26379(18) 0.49146(9) 0.0283(6) Uani 1 1 d . . . . .
C14 C 0.47148(16) 0.19764(17) 0.49299(9) 0.0269(6) Uani 1 1 d . . . . .
C15 C 0.44441(16) 0.14210(17) 0.45931(10) 0.0262(6) Uani 1 1 d . . . . .
H15 H 0.470754 0.094438 0.451898 0.031 Uiso 1 1 calc R U . . .
C16 C 0.31758(17) 0.11614(19) 0.40984(11) 0.0335(7) Uani 1 1 d . . . . .
C17 C 0.2617(2) 0.1641(2) 0.37939(13) 0.0486(9) Uani 1 1 d . . . . .
H17A H 0.223172 0.128980 0.364800 0.073 Uiso 1 1 calc R U . . .
H17B H 0.291975 0.191324 0.355287 0.073 Uiso 1 1 calc R U . . .
H17C H 0.233961 0.202918 0.398549 0.073 Uiso 1 1 calc R U . . .
C18 C 0.2681(2) 0.0696(3) 0.44504(14) 0.0567(11) Uani 1 1 d . . . . .
H18A H 0.233558 0.032898 0.428482 0.085 Uiso 1 1 calc R U . . .
H18B H 0.236007 0.106044 0.463379 0.085 Uiso 1 1 calc R U . . .
H18C H 0.303215 0.040114 0.465706 0.085 Uiso 1 1 calc R U . . .
C19 C 0.3640(2) 0.0596(2) 0.37900(12) 0.0425(8) Uani 1 1 d . . . . .
H19A H 0.327387 0.030457 0.359071 0.064 Uiso 1 1 calc R U . . .
H19B H 0.393402 0.022593 0.398482 0.064 Uiso 1 1 calc R U . . .
H19C H 0.400887 0.089460 0.359665 0.064 Uiso 1 1 calc R U . . .
C20 C 0.4106(2) 0.3411(2) 0.51929(11) 0.0428(8) Uani 1 1 d . . . . .
C21 C 0.3961(3) 0.3248(3) 0.57070(12) 0.0571(11) Uani 1 1 d . . . . .
H21A H 0.443884 0.302579 0.584597 0.086 Uiso 1 1 calc R U . . .
H21B H 0.352509 0.287371 0.574007 0.086 Uiso 1 1 calc R U . . .
H21C H 0.382556 0.374015 0.586488 0.086 Uiso 1 1 calc R U . . .
C22 C 0.3402(3) 0.3898(3) 0.50203(16) 0.0761(15) Uani 1 1 d . . . . .
H22A H 0.344880 0.397927 0.468472 0.114 Uiso 1 1 calc R U . . .
H22B H 0.339809 0.440820 0.517808 0.114 Uiso 1 1 calc R U . . .
H22C H 0.291078 0.361716 0.508780 0.114 Uiso 1 1 calc R U . . .
C23 C 0.4843(3) 0.3924(2) 0.51279(14) 0.0617(12) Uani 1 1 d . . . . .
H23A H 0.488664 0.408159 0.480181 0.093 Uiso 1 1 calc R U . . .
H23B H 0.531272 0.362400 0.521723 0.093 Uiso 1 1 calc R U . . .
H23C H 0.480077 0.439367 0.532325 0.093 Uiso 1 1 calc R U . . .
C24 C 0.53194(19) 0.1694(2) 0.52944(11) 0.0367(7) Uani 1 1 d . . . . .
C25 C 0.4836(2) 0.1290(2) 0.56861(12) 0.0527(10) Uani 1 1 d . . . . .
H25A H 0.451666 0.086506 0.555333 0.079 Uiso 1 1 calc R U . . .
H25B H 0.448876 0.167704 0.583335 0.079 Uiso 1 1 calc R U . . .
H25C H 0.519671 0.107189 0.591849 0.079 Uiso 1 1 calc R U . . .
C26 C 0.5851(2) 0.2319(2) 0.55188(12) 0.0478(9) Uani 1 1 d . . . . .
H26A H 0.621933 0.206386 0.573327 0.072 Uiso 1 1 calc R U . . .
H26B H 0.552451 0.269620 0.568956 0.072 Uiso 1 1 calc R U . . .
H26C H 0.614765 0.259492 0.527682 0.072 Uiso 1 1 calc R U . . .
C27 C 0.5872(2) 0.1068(2) 0.50911(14) 0.0483(9) Uani 1 1 d . . . . .
H27A H 0.556711 0.059911 0.500949 0.073 Uiso 1 1 calc R U . . .
H27B H 0.627413 0.092945 0.532138 0.073 Uiso 1 1 calc R U . . .
H27C H 0.612926 0.127706 0.481244 0.073 Uiso 1 1 calc R U . . .
C28 C 0.60844(15) 0.16278(17) 0.31088(10) 0.0245(6) Uani 1 1 d . . . . .
C29 C 0.64589(15) 0.23140(17) 0.29282(9) 0.0244(6) Uani 1 1 d . . . . .
H29 H 0.698692 0.246450 0.299320 0.029 Uiso 1 1 calc R U . . .
C30 C 0.59292(16) 0.27463(17) 0.26347(9) 0.0239(6) Uani 1 1 d . . . . .
C31 C 0.51809(16) 0.23151(17) 0.26403(9) 0.0244(6) Uani 1 1 d . . . . .
C32 C 0.53037(16) 0.16454(17) 0.29386(10) 0.0256(6) Uani 1 1 d . . . . .
H32 H 0.491121 0.126619 0.301105 0.031 Uiso 1 1 calc R U . . .
C33 C 0.64683(17) 0.09290(18) 0.33499(11) 0.0321(7) Uani 1 1 d . . . . .
C34 C 0.7291(2) 0.1126(2) 0.35242(17) 0.0615(12) Uani 1 1 d . . . . .
H34A H 0.752126 0.066188 0.367340 0.092 Uiso 1 1 calc R U . . .
H34B H 0.725947 0.155661 0.374924 0.092 Uiso 1 1 calc R U . . .
H34C H 0.762255 0.128603 0.326217 0.092 Uiso 1 1 calc R U . . .
C35 C 0.6549(3) 0.0282(2) 0.29853(17) 0.0706(14) Uani 1 1 d . . . . .
H35A H 0.679273 -0.018220 0.312642 0.106 Uiso 1 1 calc R U . . .
H35B H 0.688073 0.047053 0.272986 0.106 Uiso 1 1 calc R U . . .
H35C H 0.602634 0.014409 0.286583 0.106 Uiso 1 1 calc R U . . .
C36 C 0.5969(2) 0.0642(2) 0.37508(15) 0.0573(11) Uani 1 1 d . . . . .
H36A H 0.625340 0.023042 0.391951 0.086 Uiso 1 1 calc R U . . .
H36B H 0.547141 0.042934 0.363167 0.086 Uiso 1 1 calc R U . . .
H36C H 0.585785 0.108173 0.396090 0.086 Uiso 1 1 calc R U . . .
C37 C 0.62334(17) 0.34383(18) 0.23361(10) 0.0306(6) Uani 1 1 d . . . . .
C38 C 0.6268(2) 0.3177(2) 0.18250(11) 0.0432(8) Uani 1 1 d . . . . .
H38A H 0.655799 0.268002 0.180187 0.065 Uiso 1 1 calc R U . . .
H38B H 0.653611 0.358012 0.164075 0.065 Uiso 1 1 calc R U . . .
H38C H 0.573057 0.310309 0.170719 0.065 Uiso 1 1 calc R U . . .
C39 C 0.70843(19) 0.3640(2) 0.24749(13) 0.0439(8) Uani 1 1 d . . . . .
H39A H 0.742879 0.319264 0.240461 0.066 Uiso 1 1 calc R U . . .
H39B H 0.710538 0.375304 0.280804 0.066 Uiso 1 1 calc R U . . .
H39C H 0.726150 0.410161 0.230048 0.066 Uiso 1 1 calc R U . . .
C40 C 0.5764(2) 0.4200(2) 0.23845(13) 0.0461(9) Uani 1 1 d . . . . .
H40A H 0.520279 0.409160 0.233299 0.069 Uiso 1 1 calc R U . . .
H40B H 0.594899 0.458176 0.215446 0.069 Uiso 1 1 calc R U . . .
H40C H 0.583763 0.441451 0.269700 0.069 Uiso 1 1 calc R U . . .
C41 C 0.44466(17) 0.23029(19) 0.23277(10) 0.0292(6) Uani 1 1 d . . . . .
C42 C 0.41679(19) 0.3091(2) 0.21343(11) 0.0396(8) Uani 1 1 d . . . . .
H42A H 0.369191 0.301133 0.194739 0.059 Uiso 1 1 calc R U . . .
H42B H 0.458353 0.331932 0.194007 0.059 Uiso 1 1 calc R U . . .
H42C H 0.404958 0.344950 0.239146 0.059 Uiso 1 1 calc R U . . .
C43 C 0.37480(17) 0.1934(2) 0.25962(12) 0.0381(7) Uani 1 1 d . . . . .
H43A H 0.326520 0.198329 0.241162 0.057 Uiso 1 1 calc R U . . .
H43B H 0.367959 0.220823 0.289256 0.057 Uiso 1 1 calc R U . . .
H43C H 0.385701 0.137686 0.265447 0.057 Uiso 1 1 calc R U . . .
C44 C 0.4638(2) 0.1746(2) 0.19176(12) 0.0480(9) Uani 1 1 d . . . . .
H44A H 0.416481 0.167244 0.172745 0.072 Uiso 1 1 calc R U . . .
H44B H 0.481342 0.123690 0.203829 0.072 Uiso 1 1 calc R U . . .
H44C H 0.505747 0.197771 0.172754 0.072 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 N2 2.050(2) . ?
Ru1 N1 2.070(2) . ?
Ru1 C12 2.139(3) . ?
Ru1 C13 2.139(3) . ?
Ru1 C15 2.175(3) . ?
Ru1 C11 2.195(3) . ?
Ru1 C14 2.202(3) . ?
Ru1 Ru2 2.9259(3) . ?
Ru2 C1 2.177(3) . ?
Ru2 C29 2.183(3) . ?
Ru2 C6 2.189(3) . ?
Ru2 C32 2.197(3) . ?
Ru2 C30 2.198(3) . ?
Ru2 C31 2.207(3) . ?
Ru2 N1 2.211(2) . ?
Ru2 N2 2.220(2) . ?
Ru2 C28 2.244(3) . ?
N1 C1 1.389(4) . ?
N1 C5 1.487(4) . ?
N2 C6 1.374(4) . ?
N2 C10 1.479(3) . ?
C1 C6 1.414(4) . ?
C1 C2 1.522(4) . ?
C2 C3A 1.400(13) . ?
C2 C3 1.574(8) . ?
C2 H2A 1.07(4) . ?
C2 H2B 1.11(5) . ?
C3 C4 1.533(11) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.465(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C3A C4A 1.503(18) . ?
C3A H3A1 0.9900 . ?
C3A H3A2 0.9900 . ?
C4A C5 1.568(11) . ?
C4A H4A1 0.9900 . ?
C4A H4A2 0.9900 . ?
C6 C7 1.517(4) . ?
C7 C8A 1.267(11) . ?
C7 C8 1.529(6) . ?
C8 C8A 1.194(12) . ?
C8 C9 1.487(7) . ?
C8A C9 1.806(12) . ?
C9 C10 1.523(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.412(4) . ?
C11 C15 1.430(4) . ?
C11 C16 1.519(4) . ?
C12 C13 1.444(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.473(4) . ?
C13 C20 1.542(4) . ?
C14 C15 1.430(4) . ?
C14 C24 1.544(4) . ?
C15 H15 0.9500 . ?
C16 C19 1.528(4) . ?
C16 C17 1.529(5) . ?
C16 C18 1.536(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.527(5) . ?
C20 C22 1.535(5) . ?
C20 C23 1.537(5) . ?
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 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C27 1.535(5) . ?
C24 C26 1.536(4) . ?
C24 C25 1.556(4) . ?
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 . ?
C28 C32 1.412(4) . ?
C28 C29 1.427(4) . ?
C28 C33 1.523(4) . ?
C29 C30 1.436(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.466(4) . ?
C30 C37 1.547(4) . ?
C31 C32 1.442(4) . ?
C31 C41 1.537(4) . ?
C32 H32 0.9500 . ?
C33 C36 1.513(4) . ?
C33 C34 1.520(5) . ?
C33 C35 1.527(5) . ?
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 C40 1.527(4) . ?
C37 C39 1.536(4) . ?
C37 C38 1.540(4) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.527(4) . ?
C41 C44 1.549(4) . ?
C41 C43 1.548(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 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
N2 Ru1 N1 73.93(9) . . ?
N2 Ru1 C12 105.31(10) . . ?
N1 Ru1 C12 157.99(11) . . ?
N2 Ru1 C13 123.74(10) . . ?
N1 Ru1 C13 122.27(10) . . ?
C12 Ru1 C13 39.44(11) . . ?
N2 Ru1 C15 152.07(10) . . ?
N1 Ru1 C15 126.59(10) . . ?
C12 Ru1 C15 63.33(11) . . ?
C13 Ru1 C15 65.06(11) . . ?
N2 Ru1 C11 116.92(10) . . ?
N1 Ru1 C11 161.50(10) . . ?
C12 Ru1 C11 38.01(11) . . ?
C13 Ru1 C11 65.85(11) . . ?
C15 Ru1 C11 38.20(10) . . ?
N2 Ru1 C14 162.71(10) . . ?
N1 Ru1 C14 109.60(10) . . ?
C12 Ru1 C14 64.80(11) . . ?
C13 Ru1 C14 39.63(11) . . ?
C15 Ru1 C14 38.13(10) . . ?
C11 Ru1 C14 64.88(10) . . ?
N2 Ru1 Ru2 49.23(6) . . ?
N1 Ru1 Ru2 48.93(6) . . ?
C12 Ru1 Ru2 145.83(8) . . ?
C13 Ru1 Ru2 167.86(8) . . ?
C15 Ru1 Ru2 126.21(8) . . ?
C11 Ru1 Ru2 125.33(8) . . ?
C14 Ru1 Ru2 145.59(8) . . ?
C1 Ru2 C29 113.08(11) . . ?
C1 Ru2 C6 37.78(11) . . ?
C29 Ru2 C6 136.20(11) . . ?
C1 Ru2 C32 170.51(11) . . ?
C29 Ru2 C32 62.29(10) . . ?
C6 Ru2 C32 151.25(11) . . ?
C1 Ru2 C30 118.40(11) . . ?
C29 Ru2 C30 38.27(10) . . ?
C6 Ru2 C30 114.82(11) . . ?
C32 Ru2 C30 63.84(10) . . ?
C1 Ru2 C31 149.12(11) . . ?
C29 Ru2 C31 63.81(10) . . ?
C6 Ru2 C31 121.34(11) . . ?
C32 Ru2 C31 38.23(10) . . ?
C30 Ru2 C31 38.87(10) . . ?
C1 Ru2 N1 36.90(10) . . ?
C29 Ru2 N1 115.03(9) . . ?
C6 Ru2 N1 63.94(10) . . ?
C32 Ru2 N1 135.71(10) . . ?
C30 Ru2 N1 143.73(9) . . ?
C31 Ru2 N1 173.93(10) . . ?
C1 Ru2 N2 63.77(10) . . ?
C29 Ru2 N2 171.09(10) . . ?
C6 Ru2 N2 36.32(10) . . ?
C32 Ru2 N2 122.11(9) . . ?
C30 Ru2 N2 134.57(9) . . ?
C31 Ru2 N2 114.12(9) . . ?
N1 Ru2 N2 67.99(9) . . ?
C1 Ru2 C28 134.18(11) . . ?
C29 Ru2 C28 37.58(10) . . ?
C6 Ru2 C28 171.32(11) . . ?
C32 Ru2 C28 37.06(10) . . ?
C30 Ru2 C28 64.09(10) . . ?
C31 Ru2 C28 63.82(10) . . ?
N1 Ru2 C28 111.37(9) . . ?
N2 Ru2 C28 150.60(10) . . ?
C1 Ru2 Ru1 69.94(8) . . ?
C29 Ru2 Ru1 143.83(7) . . ?
C6 Ru2 Ru1 69.38(8) . . ?
C32 Ru2 Ru1 108.50(7) . . ?
C30 Ru2 Ru1 171.10(7) . . ?
C31 Ru2 Ru1 132.27(7) . . ?
N1 Ru2 Ru1 44.90(6) . . ?
N2 Ru2 Ru1 44.36(6) . . ?
C28 Ru2 Ru1 113.03(7) . . ?
C1 N1 C5 117.2(2) . . ?
C1 N1 Ru1 118.19(19) . . ?
C5 N1 Ru1 123.41(19) . . ?
C1 N1 Ru2 70.24(15) . . ?
C5 N1 Ru2 123.2(2) . . ?
Ru1 N1 Ru2 86.17(8) . . ?
C6 N2 C10 113.0(2) . . ?
C6 N2 Ru1 119.22(19) . . ?
C10 N2 Ru1 125.64(19) . . ?
C6 N2 Ru2 70.58(15) . . ?
C10 N2 Ru2 125.88(19) . . ?
Ru1 N2 Ru2 86.41(8) . . ?
N1 C1 C6 112.4(3) . . ?
N1 C1 C2 124.1(3) . . ?
C6 C1 C2 122.7(3) . . ?
N1 C1 Ru2 72.86(16) . . ?
C6 C1 Ru2 71.54(17) . . ?
C2 C1 Ru2 131.3(2) . . ?
C3A C2 C1 115.4(6) . . ?
C1 C2 C3 112.2(4) . . ?
C3A C2 H2A 125(2) . . ?
C1 C2 H2A 111(2) . . ?
C3 C2 H2A 111(2) . . ?
C3A C2 H2B 87(3) . . ?
C1 C2 H2B 111(3) . . ?
C3 C2 H2B 109(3) . . ?
H2A C2 H2B 101(3) . . ?
C4 C3 C2 108.9(6) . . ?
C4 C3 H3A 109.9 . . ?
C2 C3 H3A 109.9 . . ?
C4 C3 H3B 109.9 . . ?
C2 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
C5 C4 C3 109.5(6) . . ?
C5 C4 H4A 109.8 . . ?
C3 C4 H4A 109.8 . . ?
C5 C4 H4B 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
C2 C3A C4A 107.7(10) . . ?
C2 C3A H3A1 110.2 . . ?
C4A C3A H3A1 110.2 . . ?
C2 C3A H3A2 110.2 . . ?
C4A C3A H3A2 110.2 . . ?
H3A1 C3A H3A2 108.5 . . ?
C3A C4A C5 111.9(10) . . ?
C3A C4A H4A1 109.2 . . ?
C5 C4A H4A1 109.2 . . ?
C3A C4A H4A2 109.2 . . ?
C5 C4A H4A2 109.2 . . ?
H4A1 C4A H4A2 107.9 . . ?
C4 C5 N1 115.4(4) . . ?
N1 C5 C4A 112.2(4) . . ?
N2 C6 C1 112.9(3) . . ?
N2 C6 C7 120.7(3) . . ?
C1 C6 C7 124.7(3) . . ?
N2 C6 Ru2 73.10(16) . . ?
C1 C6 Ru2 70.68(17) . . ?
C7 C6 Ru2 136.7(2) . . ?
C8A C7 C6 123.7(6) . . ?
C8A C7 C8 49.5(5) . . ?
C6 C7 C8 106.4(3) . . ?
C8A C8 C9 83.9(7) . . ?
C8A C8 C7 53.8(6) . . ?
C9 C8 C7 112.2(4) . . ?
C8 C8A C7 76.7(7) . . ?
C8 C8A C9 55.0(5) . . ?
C7 C8A C9 107.8(7) . . ?
C8 C9 C10 114.4(3) . . ?
C8 C9 C8A 41.1(4) . . ?
C10 C9 C8A 95.0(4) . . ?
N2 C10 C9 112.6(3) . . ?
N2 C10 H10A 109.1 . . ?
C9 C10 H10A 109.1 . . ?
N2 C10 H10B 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C15 105.7(3) . . ?
C12 C11 C16 127.6(3) . . ?
C15 C11 C16 125.2(3) . . ?
C12 C11 Ru1 68.86(16) . . ?
C15 C11 Ru1 70.15(15) . . ?
C16 C11 Ru1 136.5(2) . . ?
C11 C12 C13 111.2(3) . . ?
C11 C12 Ru1 73.13(16) . . ?
C13 C12 Ru1 70.29(15) . . ?
C11 C12 H12 124.4 . . ?
C13 C12 H12 124.4 . . ?
Ru1 C12 H12 123.7 . . ?
C12 C13 C14 105.8(2) . . ?
C12 C13 C20 122.0(3) . . ?
C14 C13 C20 132.1(3) . . ?
C12 C13 Ru1 70.26(15) . . ?
C14 C13 Ru1 72.49(15) . . ?
C20 C13 Ru1 124.7(2) . . ?
C15 C14 C13 106.1(2) . . ?
C15 C14 C24 118.0(3) . . ?
C13 C14 C24 133.3(3) . . ?
C15 C14 Ru1 69.89(15) . . ?
C13 C14 Ru1 67.88(15) . . ?
C24 C14 Ru1 140.5(2) . . ?
C11 C15 C14 111.1(3) . . ?
C11 C15 Ru1 71.65(16) . . ?
C14 C15 Ru1 71.98(16) . . ?
C11 C15 H15 124.4 . . ?
C14 C15 H15 124.4 . . ?
Ru1 C15 H15 123.5 . . ?
C11 C16 C19 111.2(2) . . ?
C11 C16 C17 112.4(3) . . ?
C19 C16 C17 108.8(3) . . ?
C11 C16 C18 106.0(3) . . ?
C19 C16 C18 109.9(3) . . ?
C17 C16 C18 108.4(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C22 106.7(3) . . ?
C21 C20 C23 110.6(3) . . ?
C22 C20 C23 106.6(4) . . ?
C21 C20 C13 111.0(3) . . ?
C22 C20 C13 109.5(3) . . ?
C23 C20 C13 112.1(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C27 C24 C26 106.4(3) . . ?
C27 C24 C14 111.2(3) . . ?
C26 C24 C14 117.4(3) . . ?
C27 C24 C25 107.0(3) . . ?
C26 C24 C25 108.0(3) . . ?
C14 C24 C25 106.3(3) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C28 C29 105.8(2) . . ?
C32 C28 C33 125.1(3) . . ?
C29 C28 C33 127.9(2) . . ?
C32 C28 Ru2 69.65(15) . . ?
C29 C28 Ru2 68.89(15) . . ?
C33 C28 Ru2 135.0(2) . . ?
C28 C29 C30 110.8(2) . . ?
C28 C29 Ru2 73.53(15) . . ?
C30 C29 Ru2 71.42(14) . . ?
C28 C29 H29 124.6 . . ?
C30 C29 H29 124.6 . . ?
Ru2 C29 H29 122.0 . . ?
C29 C30 C31 106.2(2) . . ?
C29 C30 C37 120.6(2) . . ?
C31 C30 C37 132.5(2) . . ?
C29 C30 Ru2 70.31(15) . . ?
C31 C30 Ru2 70.90(14) . . ?
C37 C30 Ru2 130.7(2) . . ?
C32 C31 C30 106.1(2) . . ?
C32 C31 C41 117.1(3) . . ?
C30 C31 C41 134.6(3) . . ?
C32 C31 Ru2 70.50(16) . . ?
C30 C31 Ru2 70.23(14) . . ?
C41 C31 Ru2 136.40(19) . . ?
C28 C32 C31 111.0(2) . . ?
C28 C32 Ru2 73.29(16) . . ?
C31 C32 Ru2 71.27(16) . . ?
C28 C32 H32 124.5 . . ?
C31 C32 H32 124.5 . . ?
Ru2 C32 H32 122.5 . . ?
C36 C33 C34 109.4(3) . . ?
C36 C33 C28 111.1(2) . . ?
C34 C33 C28 111.8(3) . . ?
C36 C33 C35 110.1(3) . . ?
C34 C33 C35 107.7(3) . . ?
C28 C33 C35 106.7(3) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C37 C39 106.1(3) . . ?
C40 C37 C38 110.6(3) . . ?
C39 C37 C38 106.1(3) . . ?
C40 C37 C30 114.9(2) . . ?
C39 C37 C30 109.8(2) . . ?
C38 C37 C30 108.9(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C31 116.9(3) . . ?
C42 C41 C44 108.9(3) . . ?
C31 C41 C44 106.6(2) . . ?
C42 C41 C43 107.6(2) . . ?
C31 C41 C43 109.4(2) . . ?
C44 C41 C43 107.1(3) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 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 C6 179.0(3) . . . . ?
Ru1 N1 C1 C6 -13.2(3) . . . . ?
Ru2 N1 C1 C6 60.9(2) . . . . ?
C5 N1 C1 C2 -10.7(4) . . . . ?
Ru1 N1 C1 C2 157.1(2) . . . . ?
Ru2 N1 C1 C2 -128.7(3) . . . . ?
C5 N1 C1 Ru2 118.0(3) . . . . ?
Ru1 N1 C1 Ru2 -74.14(15) . . . . ?
N1 C1 C2 C3A -8.3(8) . . . . ?
C6 C1 C2 C3A 161.0(7) . . . . ?
Ru2 C1 C2 C3A -105.3(7) . . . . ?
N1 C1 C2 C3 17.6(6) . . . . ?
C6 C1 C2 C3 -173.1(5) . . . . ?
Ru2 C1 C2 C3 -79.4(5) . . . . ?
C1 C2 C3 C4 -41.7(9) . . . . ?
C2 C3 C4 C5 62.1(10) . . . . ?
C1 C2 C3A C4A 44.9(13) . . . . ?
C2 C3A C4A C5 -65.5(14) . . . . ?
C3 C4 C5 N1 -57.4(8) . . . . ?
C1 N1 C5 C4 30.8(6) . . . . ?
Ru1 N1 C5 C4 -136.4(4) . . . . ?
Ru2 N1 C5 C4 114.0(5) . . . . ?
C1 N1 C5 C4A -9.2(7) . . . . ?
Ru1 N1 C5 C4A -176.4(6) . . . . ?
Ru2 N1 C5 C4A 74.0(6) . . . . ?
C3A C4A C5 N1 47.2(12) . . . . ?
C10 N2 C6 C1 178.5(2) . . . . ?
Ru1 N2 C6 C1 14.4(3) . . . . ?
Ru2 N2 C6 C1 -59.8(2) . . . . ?
C10 N2 C6 C7 13.1(4) . . . . ?
Ru1 N2 C6 C7 -151.1(3) . . . . ?
Ru2 N2 C6 C7 134.8(3) . . . . ?
C10 N2 C6 Ru2 -121.7(2) . . . . ?
Ru1 N2 C6 Ru2 74.14(15) . . . . ?
N1 C1 C6 N2 -0.5(4) . . . . ?
C2 C1 C6 N2 -171.0(3) . . . . ?
Ru2 C1 C6 N2 61.2(2) . . . . ?
N1 C1 C6 C7 164.2(3) . . . . ?
C2 C1 C6 C7 -6.3(5) . . . . ?
Ru2 C1 C6 C7 -134.1(3) . . . . ?
N1 C1 C6 Ru2 -61.7(2) . . . . ?
C2 C1 C6 Ru2 127.8(3) . . . . ?
N2 C6 C7 C8A -11.1(8) . . . . ?
C1 C6 C7 C8A -174.7(7) . . . . ?
Ru2 C6 C7 C8A 86.7(8) . . . . ?
N2 C6 C7 C8 40.7(5) . . . . ?
C1 C6 C7 C8 -122.9(4) . . . . ?
Ru2 C6 C7 C8 138.6(3) . . . . ?
C6 C7 C8 C8A -120.6(8) . . . . ?
C8A C7 C8 C9 63.9(7) . . . . ?
C6 C7 C8 C9 -56.7(5) . . . . ?
C9 C8 C8A C7 -123.3(5) . . . . ?
C7 C8 C8A C9 123.3(5) . . . . ?
C6 C7 C8A C8 82.9(7) . . . . ?
C6 C7 C8A C9 36.9(10) . . . . ?
C8 C7 C8A C9 -46.0(5) . . . . ?
C8A C8 C9 C10 68.0(6) . . . . ?
C7 C8 C9 C10 21.3(6) . . . . ?
C7 C8 C9 C8A -46.8(5) . . . . ?
C7 C8A C9 C8 58.7(7) . . . . ?
C8 C8A C9 C10 -122.0(5) . . . . ?
C7 C8A C9 C10 -63.3(8) . . . . ?
C6 N2 C10 C9 -52.2(4) . . . . ?
Ru1 N2 C10 C9 110.8(3) . . . . ?
Ru2 N2 C10 C9 -134.2(3) . . . . ?
C8 C9 C10 N2 33.7(5) . . . . ?
C8A C9 C10 N2 71.4(5) . . . . ?
C15 C11 C12 C13 0.6(3) . . . . ?
C16 C11 C12 C13 166.6(3) . . . . ?
Ru1 C11 C12 C13 -60.3(2) . . . . ?
C15 C11 C12 Ru1 60.89(19) . . . . ?
C16 C11 C12 Ru1 -133.1(3) . . . . ?
C11 C12 C13 C14 -2.3(3) . . . . ?
Ru1 C12 C13 C14 -64.27(18) . . . . ?
C11 C12 C13 C20 -178.7(3) . . . . ?
Ru1 C12 C13 C20 119.3(3) . . . . ?
C11 C12 C13 Ru1 62.0(2) . . . . ?
C12 C13 C14 C15 3.0(3) . . . . ?
C20 C13 C14 C15 178.9(3) . . . . ?
Ru1 C13 C14 C15 -59.76(19) . . . . ?
C12 C13 C14 C24 -157.6(3) . . . . ?
C20 C13 C14 C24 18.3(5) . . . . ?
Ru1 C13 C14 C24 139.6(3) . . . . ?
C12 C13 C14 Ru1 62.77(18) . . . . ?
C20 C13 C14 Ru1 -121.3(3) . . . . ?
C12 C11 C15 C14 1.4(3) . . . . ?
C16 C11 C15 C14 -165.0(3) . . . . ?
Ru1 C11 C15 C14 61.5(2) . . . . ?
C12 C11 C15 Ru1 -60.04(19) . . . . ?
C16 C11 C15 Ru1 133.5(3) . . . . ?
C13 C14 C15 C11 -2.8(3) . . . . ?
C24 C14 C15 C11 161.3(2) . . . . ?
Ru1 C14 C15 C11 -61.3(2) . . . . ?
C13 C14 C15 Ru1 58.47(18) . . . . ?
C24 C14 C15 Ru1 -137.4(2) . . . . ?
C12 C11 C16 C19 157.6(3) . . . . ?
C15 C11 C16 C19 -39.0(4) . . . . ?
Ru1 C11 C16 C19 59.0(4) . . . . ?
C12 C11 C16 C17 35.3(4) . . . . ?
C15 C11 C16 C17 -161.3(3) . . . . ?
Ru1 C11 C16 C17 -63.3(4) . . . . ?
C12 C11 C16 C18 -83.0(4) . . . . ?
C15 C11 C16 C18 80.4(4) . . . . ?
Ru1 C11 C16 C18 178.4(3) . . . . ?
C12 C13 C20 C21 111.4(3) . . . . ?
C14 C13 C20 C21 -63.9(5) . . . . ?
Ru1 C13 C20 C21 -161.5(3) . . . . ?
C12 C13 C20 C22 -6.1(4) . . . . ?
C14 C13 C20 C22 178.5(3) . . . . ?
Ru1 C13 C20 C22 80.9(4) . . . . ?
C12 C13 C20 C23 -124.2(3) . . . . ?
C14 C13 C20 C23 60.4(4) . . . . ?
Ru1 C13 C20 C23 -37.2(4) . . . . ?
C15 C14 C24 C27 33.0(4) . . . . ?
C13 C14 C24 C27 -168.2(3) . . . . ?
Ru1 C14 C24 C27 -58.9(4) . . . . ?
C15 C14 C24 C26 155.8(3) . . . . ?
C13 C14 C24 C26 -45.4(5) . . . . ?
Ru1 C14 C24 C26 63.9(5) . . . . ?
C15 C14 C24 C25 -83.2(3) . . . . ?
C13 C14 C24 C25 75.6(4) . . . . ?
Ru1 C14 C24 C25 -175.0(3) . . . . ?
C32 C28 C29 C30 -1.9(3) . . . . ?
C33 C28 C29 C30 166.6(3) . . . . ?
Ru2 C28 C29 C30 -62.11(19) . . . . ?
C32 C28 C29 Ru2 60.19(19) . . . . ?
C33 C28 C29 Ru2 -131.3(3) . . . . ?
C28 C29 C30 C31 1.2(3) . . . . ?
Ru2 C29 C30 C31 -62.24(17) . . . . ?
C28 C29 C30 C37 -170.2(2) . . . . ?
Ru2 C29 C30 C37 126.4(2) . . . . ?
C28 C29 C30 Ru2 63.40(19) . . . . ?
C29 C30 C31 C32 0.1(3) . . . . ?
C37 C30 C31 C32 170.0(3) . . . . ?
Ru2 C30 C31 C32 -61.79(18) . . . . ?
C29 C30 C31 C41 -161.6(3) . . . . ?
C37 C30 C31 C41 8.3(5) . . . . ?
Ru2 C30 C31 C41 136.6(3) . . . . ?
C29 C30 C31 Ru2 61.85(18) . . . . ?
C37 C30 C31 Ru2 -128.2(3) . . . . ?
C29 C28 C32 C31 2.0(3) . . . . ?
C33 C28 C32 C31 -166.9(3) . . . . ?
Ru2 C28 C32 C31 61.7(2) . . . . ?
C29 C28 C32 Ru2 -59.70(19) . . . . ?
C33 C28 C32 Ru2 131.4(3) . . . . ?
C30 C31 C32 C28 -1.3(3) . . . . ?
C41 C31 C32 C28 164.1(2) . . . . ?
Ru2 C31 C32 C28 -62.9(2) . . . . ?
C30 C31 C32 Ru2 61.61(17) . . . . ?
C41 C31 C32 Ru2 -133.0(2) . . . . ?
C32 C28 C33 C36 -52.9(4) . . . . ?
C29 C28 C33 C36 140.7(3) . . . . ?
Ru2 C28 C33 C36 43.0(4) . . . . ?
C32 C28 C33 C34 -175.4(3) . . . . ?
C29 C28 C33 C34 18.2(5) . . . . ?
Ru2 C28 C33 C34 -79.5(4) . . . . ?
C32 C28 C33 C35 67.1(4) . . . . ?
C29 C28 C33 C35 -99.3(4) . . . . ?
Ru2 C28 C33 C35 163.0(3) . . . . ?
C29 C30 C37 C40 -129.1(3) . . . . ?
C31 C30 C37 C40 62.1(4) . . . . ?
Ru2 C30 C37 C40 -39.6(4) . . . . ?
C29 C30 C37 C39 -9.7(4) . . . . ?
C31 C30 C37 C39 -178.4(3) . . . . ?
Ru2 C30 C37 C39 79.9(3) . . . . ?
C29 C30 C37 C38 106.1(3) . . . . ?
C31 C30 C37 C38 -62.6(4) . . . . ?
Ru2 C30 C37 C38 -164.3(2) . . . . ?
C32 C31 C41 C42 160.8(3) . . . . ?
C30 C31 C41 C42 -39.1(4) . . . . ?
Ru2 C31 C41 C42 71.1(4) . . . . ?
C32 C31 C41 C44 -77.2(3) . . . . ?
C30 C31 C41 C44 82.9(4) . . . . ?
Ru2 C31 C41 C44 -166.9(3) . . . . ?
C32 C31 C41 C43 38.3(3) . . . . ?
C30 C31 C41 C43 -161.6(3) . . . . ?
Ru2 C31 C41 C43 -51.4(4) . . . . ?

_refine_diff_density_max         1.201
_refine_diff_density_min         -0.926
_refine_diff_density_rms         0.079

####################################################################### 
# 
# 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_5d
_database_code_depnum_ccdc_archive 'CCDC 2296346'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_PLAT910_5d                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    14 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.996, 
there is almost no problem in analysis.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H74 N2 Ru2'
_chemical_formula_weight         833.19

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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   10.7555(3)
_cell_length_b                   35.2527(11)
_cell_length_c                   11.1031(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.6250(10)
_cell_angle_gamma                90
_cell_volume                     4172.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    66445
_cell_measurement_theta_min      2.999
_cell_measurement_theta_max      27.478

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_F_000             1760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.061
_exptl_absorpt_coefficient_mu    0.755
_shelx_estimated_absorpt_T_min   0.923
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.7578
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (T. Higashi, 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      143(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            65797
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_av_R_equivalents  0.0911
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.999
_diffrn_reflns_theta_max         27.478
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             9526
_reflns_number_gt                7430
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0350P)²+7.2962P] 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         9526
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1041
_refine_ls_wR_factor_gt          0.0950
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.17419(3) 0.38742(2) 0.22918(3) 0.01937(8) Uani 1 1 d . . . . .
Ru2 Ru 0.35238(3) 0.35714(2) 0.42913(2) 0.02073(8) Uani 1 1 d . . . . .
N1 N 0.1548(3) 0.34451(8) 0.3481(3) 0.0265(7) Uani 1 1 d . . . . .
N2 N 0.2346(3) 0.40881(9) 0.3995(3) 0.0286(7) Uani 1 1 d . . . . .
C1 C 0.1595(4) 0.35311(11) 0.4705(3) 0.0281(8) Uani 1 1 d . . . . .
C2 C 0.1055(4) 0.32219(12) 0.5410(4) 0.0357(9) Uani 1 1 d . . . . .
H2A H 0.0177 0.3277 0.5526 0.043 Uiso 1 1 calc R U . . .
H2B H 0.1561 0.3183 0.6212 0.043 Uiso 1 1 calc R U . . .
C3 C 0.1137(4) 0.28773(11) 0.4570(3) 0.0365(10) Uani 1 1 d . . . . .
H3A H 0.1957 0.2747 0.4748 0.044 Uiso 1 1 calc R U . . .
H3B H 0.0456 0.2693 0.4644 0.044 Uiso 1 1 calc R U . . .
C4 C 0.0985(4) 0.30616(10) 0.3317(3) 0.0311(9) Uani 1 1 d . . . . .
H4A H 0.1421 0.2910 0.2749 0.037 Uiso 1 1 calc R U . . .
H4B H 0.0086 0.3080 0.2984 0.037 Uiso 1 1 calc R U . . .
C5 C 0.2046(4) 0.38993(11) 0.5001(4) 0.0304(8) Uani 1 1 d . . . . .
C6 C 0.1968(4) 0.40967(13) 0.6190(4) 0.0407(10) Uani 1 1 d . . . . .
H6A H 0.1768 0.3907 0.6793 0.049 Uiso 1 1 calc R U . . .
H6B H 0.2799 0.4206 0.6490 0.049 Uiso 1 1 calc R U . . .
C7 C 0.1005(5) 0.44059(15) 0.6112(5) 0.0584(14) Uani 1 1 d . . . . .
H7A H 0.0753 0.4448 0.6927 0.070 Uiso 1 1 calc R U . . .
H7B H 0.0252 0.4324 0.5563 0.070 Uiso 1 1 calc R U . . .
C8 C 0.1482(6) 0.47787(15) 0.5645(5) 0.0633(15) Uani 1 1 d . . . . .
H8A H 0.0841 0.4978 0.5690 0.076 Uiso 1 1 calc R U . . .
H8B H 0.2252 0.4856 0.6178 0.076 Uiso 1 1 calc R U . . .
C9 C 0.1770(5) 0.47495(14) 0.4345(5) 0.0549(13) Uani 1 1 d . . . . .
H9A H 0.1003 0.4668 0.3816 0.066 Uiso 1 1 calc R U . . .
H9B H 0.2006 0.5003 0.4070 0.066 Uiso 1 1 calc R U . . .
C10 C 0.2796(5) 0.44786(12) 0.4204(4) 0.0445(11) Uani 1 1 d . . . . .
H10A H 0.3225 0.4560 0.3511 0.053 Uiso 1 1 calc R U . . .
H10B H 0.3418 0.4485 0.4945 0.053 Uiso 1 1 calc R U . . .
C11 C 0.2220(3) 0.42377(9) 0.0805(3) 0.0226(7) Uani 1 1 d . . . . .
C12 C 0.1065(3) 0.43487(9) 0.1187(3) 0.0207(7) Uani 1 1 d . . . . .
H12 H 0.0907 0.4591 0.1511 0.025 Uiso 1 1 calc R U . . .
C13 C 0.0161(3) 0.40427(9) 0.1017(3) 0.0200(7) Uani 1 1 d . . . . .
C14 C 0.0787(3) 0.37274(9) 0.0486(3) 0.0202(7) Uani 1 1 d . . . . .
C15 C 0.2035(3) 0.38533(9) 0.0400(3) 0.0212(7) Uani 1 1 d . . . . .
H15 H 0.2662 0.3701 0.0111 0.025 Uiso 1 1 calc R U . . .
C16 C 0.3313(4) 0.44911(10) 0.0595(4) 0.0290(8) Uani 1 1 d . . . . .
C17 C 0.3161(4) 0.48907(11) 0.1099(4) 0.0416(11) Uani 1 1 d . . . . .
H17A H 0.3857 0.5051 0.0918 0.062 Uiso 1 1 calc R U . . .
H17B H 0.3163 0.4877 0.1981 0.062 Uiso 1 1 calc R U . . .
H17C H 0.2365 0.5000 0.0721 0.062 Uiso 1 1 calc R U . . .
C18 C 0.3299(5) 0.45289(13) -0.0785(4) 0.0448(11) Uani 1 1 d . . . . .
H18A H 0.3985 0.4696 -0.0953 0.067 Uiso 1 1 calc R U . . .
H18B H 0.2496 0.4637 -0.1146 0.067 Uiso 1 1 calc R U . . .
H18C H 0.3408 0.4278 -0.1137 0.067 Uiso 1 1 calc R U . . .
C19 C 0.4568(4) 0.43169(13) 0.1142(4) 0.0413(11) Uani 1 1 d . . . . .
H19A H 0.5251 0.4491 0.1027 0.062 Uiso 1 1 calc R U . . .
H19B H 0.4694 0.4076 0.0736 0.062 Uiso 1 1 calc R U . . .
H19C H 0.4561 0.4272 0.2012 0.062 Uiso 1 1 calc R U . . .
C20 C -0.1205(3) 0.41071(11) 0.1248(3) 0.0277(8) Uani 1 1 d . . . . .
C21 C -0.2067(4) 0.41005(12) 0.0024(4) 0.0377(10) Uani 1 1 d . . . . .
H21A H -0.2068 0.3845 -0.0327 0.057 Uiso 1 1 calc R U . . .
H21B H -0.1758 0.4283 -0.0534 0.057 Uiso 1 1 calc R U . . .
H21C H -0.2922 0.4169 0.0154 0.057 Uiso 1 1 calc R U . . .
C22 C -0.1340(4) 0.45024(12) 0.1809(4) 0.0403(11) Uani 1 1 d . . . . .
H22A H -0.0758 0.4524 0.2563 0.060 Uiso 1 1 calc R U . . .
H22B H -0.2202 0.4536 0.1985 0.060 Uiso 1 1 calc R U . . .
H22C H -0.1146 0.4698 0.1235 0.060 Uiso 1 1 calc R U . . .
C23 C -0.1632(4) 0.38212(13) 0.2147(4) 0.0411(10) Uani 1 1 d . . . . .
H23A H -0.1540 0.3563 0.1842 0.062 Uiso 1 1 calc R U . . .
H23B H -0.2513 0.3868 0.2236 0.062 Uiso 1 1 calc R U . . .
H23C H -0.1115 0.3850 0.2938 0.062 Uiso 1 1 calc R U . . .
C24 C 0.0323(3) 0.33630(9) -0.0191(3) 0.0220(7) Uani 1 1 d . . . . .
C25 C -0.0024(4) 0.34715(11) -0.1533(3) 0.0335(9) Uani 1 1 d . . . . .
H25A H 0.0721 0.3568 -0.1854 0.050 Uiso 1 1 calc R U . . .
H25B H -0.0674 0.3668 -0.1604 0.050 Uiso 1 1 calc R U . . .
H25C H -0.0342 0.3247 -0.1998 0.050 Uiso 1 1 calc R U . . .
C26 C -0.0800(4) 0.31594(11) 0.0234(4) 0.0299(8) Uani 1 1 d . . . . .
H26A H -0.1024 0.2939 -0.0286 0.045 Uiso 1 1 calc R U . . .
H26B H -0.1515 0.3334 0.0183 0.045 Uiso 1 1 calc R U . . .
H26C H -0.0578 0.3076 0.1077 0.045 Uiso 1 1 calc R U . . .
C27 C 0.1397(4) 0.30698(10) -0.0104(4) 0.0335(9) Uani 1 1 d . . . . .
H27A H 0.2055 0.3161 -0.0563 0.050 Uiso 1 1 calc R U . . .
H27B H 0.1070 0.2827 -0.0443 0.050 Uiso 1 1 calc R U . . .
H27C H 0.1746 0.3035 0.0750 0.050 Uiso 1 1 calc R U . . .
C28 C 0.4988(3) 0.32132(10) 0.3581(3) 0.0245(8) Uani 1 1 d . . . . .
C29 C 0.4685(4) 0.30686(10) 0.4710(3) 0.0260(8) Uani 1 1 d . . . . .
H29 H 0.4326 0.2826 0.4814 0.031 Uiso 1 1 calc R U . . .
C30 C 0.4999(3) 0.33422(10) 0.5665(3) 0.0253(8) Uani 1 1 d . . . . .
C31 C 0.5480(4) 0.36753(11) 0.5096(3) 0.0287(8) Uani 1 1 d . . . . .
C32 C 0.5437(3) 0.35838(10) 0.3819(3) 0.0258(8) Uani 1 1 d . . . . .
H32 H 0.5679 0.3752 0.3223 0.031 Uiso 1 1 calc R U . . .
C33 C 0.5067(4) 0.29825(11) 0.2434(3) 0.0299(8) Uani 1 1 d . . . . .
C34 C 0.4102(4) 0.26606(11) 0.2304(4) 0.0395(10) Uani 1 1 d . . . . .
H34A H 0.4165 0.2520 0.1553 0.059 Uiso 1 1 calc R U . . .
H34B H 0.3257 0.2767 0.2274 0.059 Uiso 1 1 calc R U . . .
H34C H 0.4268 0.2489 0.3001 0.059 Uiso 1 1 calc R U . . .
C35 C 0.6392(4) 0.28173(12) 0.2542(4) 0.0403(10) Uani 1 1 d . . . . .
H35A H 0.6480 0.2666 0.1819 0.060 Uiso 1 1 calc R U . . .
H35B H 0.6540 0.2656 0.3266 0.060 Uiso 1 1 calc R U . . .
H35C H 0.7006 0.3024 0.2611 0.060 Uiso 1 1 calc R U . . .
C36 C 0.4854(4) 0.32377(11) 0.1309(3) 0.0352(9) Uani 1 1 d . . . . .
H36A H 0.4859 0.3083 0.0576 0.053 Uiso 1 1 calc R U . . .
H36B H 0.5525 0.3427 0.1350 0.053 Uiso 1 1 calc R U . . .
H36C H 0.4043 0.3366 0.1280 0.053 Uiso 1 1 calc R U . . .
C37 C 0.4943(4) 0.32274(11) 0.7006(3) 0.0302(9) Uani 1 1 d . . . . .
C38 C 0.4357(5) 0.28311(12) 0.7062(4) 0.0409(10) Uani 1 1 d . . . . .
H38A H 0.3534 0.2828 0.6562 0.061 Uiso 1 1 calc R U . . .
H38B H 0.4258 0.2771 0.7905 0.061 Uiso 1 1 calc R U . . .
H38C H 0.4905 0.2643 0.6753 0.061 Uiso 1 1 calc R U . . .
C39 C 0.4166(4) 0.34937(13) 0.7686(4) 0.0395(10) Uani 1 1 d . . . . .
H39A H 0.4430 0.3756 0.7576 0.059 Uiso 1 1 calc R U . . .
H39B H 0.4291 0.3430 0.8553 0.059 Uiso 1 1 calc R U . . .
H39C H 0.3276 0.3466 0.7366 0.059 Uiso 1 1 calc R U . . .
C40 C 0.6293(4) 0.32001(14) 0.7667(4) 0.0466(12) Uani 1 1 d . . . . .
H40A H 0.6662 0.3454 0.7754 0.070 Uiso 1 1 calc R U . . .
H40B H 0.6796 0.3040 0.7194 0.070 Uiso 1 1 calc R U . . .
H40C H 0.6280 0.3088 0.8473 0.070 Uiso 1 1 calc R U . . .
C41 C 0.6262(4) 0.40190(12) 0.5585(4) 0.0367(10) Uani 1 1 d . . . . .
C42 C 0.7644(4) 0.38948(16) 0.5799(5) 0.0555(14) Uani 1 1 d . . . . .
H42A H 0.8171 0.4112 0.6084 0.083 Uiso 1 1 calc R U . . .
H42B H 0.7893 0.3800 0.5037 0.083 Uiso 1 1 calc R U . . .
H42C H 0.7748 0.3693 0.6413 0.083 Uiso 1 1 calc R U . . .
C43 C 0.5918(5) 0.41974(14) 0.6755(4) 0.0483(12) Uani 1 1 d . . . . .
H43A H 0.6423 0.4426 0.6947 0.072 Uiso 1 1 calc R U . . .
H43B H 0.6085 0.4015 0.7424 0.072 Uiso 1 1 calc R U . . .
H43C H 0.5026 0.4265 0.6642 0.072 Uiso 1 1 calc R U . . .
C44 C 0.6172(5) 0.43358(13) 0.4617(4) 0.0476(12) Uani 1 1 d . . . . .
H44A H 0.6608 0.4563 0.4964 0.071 Uiso 1 1 calc R U . . .
H44B H 0.5288 0.4397 0.4355 0.071 Uiso 1 1 calc R U . . .
H44C H 0.6562 0.4249 0.3916 0.071 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 2.037(3) . ?
Ru1 N2 2.059(3) . ?
Ru1 C12 2.144(3) . ?
Ru1 C13 2.146(3) . ?
Ru1 C15 2.166(3) . ?
Ru1 C14 2.190(3) . ?
Ru1 C11 2.204(3) . ?
Ru1 Ru2 2.9346(4) . ?
Ru2 C29 2.182(4) . ?
Ru2 C1 2.188(4) . ?
Ru2 C32 2.190(4) . ?
Ru2 C5 2.195(4) . ?
Ru2 C30 2.204(3) . ?
Ru2 C31 2.205(4) . ?
Ru2 N2 2.218(3) . ?
Ru2 N1 2.240(3) . ?
Ru2 C28 2.242(4) . ?
N1 C1 1.386(5) . ?
N1 C4 1.483(4) . ?
N2 C5 1.376(5) . ?
N2 C10 1.467(5) . ?
C1 C5 1.409(5) . ?
C1 C2 1.503(5) . ?
C2 C3 1.541(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.525(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.505(5) . ?
C6 C7 1.498(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.526(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.519(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.483(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.420(5) . ?
C11 C15 1.433(5) . ?
C11 C16 1.519(5) . ?
C12 C13 1.448(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.464(5) . ?
C13 C20 1.541(5) . ?
C14 C15 1.429(5) . ?
C14 C24 1.537(5) . ?
C15 H15 0.9500 . ?
C16 C19 1.533(6) . ?
C16 C17 1.533(5) . ?
C16 C18 1.536(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C23 1.531(6) . ?
C20 C21 1.540(5) . ?
C20 C22 1.541(5) . ?
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 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.532(5) . ?
C24 C25 1.536(5) . ?
C24 C27 1.543(5) . ?
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 . ?
C28 C32 1.406(5) . ?
C28 C29 1.430(5) . ?
C28 C33 1.523(5) . ?
C29 C30 1.441(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.460(5) . ?
C30 C37 1.552(5) . ?
C31 C32 1.448(5) . ?
C31 C41 1.533(5) . ?
C32 H32 0.9500 . ?
C33 C35 1.530(6) . ?
C33 C34 1.532(6) . ?
C33 C36 1.532(5) . ?
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 C39 1.522(6) . ?
C37 C38 1.538(6) . ?
C37 C40 1.540(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C43 1.532(6) . ?
C41 C42 1.537(6) . ?
C41 C44 1.545(6) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 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 73.96(12) . . ?
N1 Ru1 C12 153.40(13) . . ?
N2 Ru1 C12 106.35(13) . . ?
N1 Ru1 C13 119.49(13) . . ?
N2 Ru1 C13 129.04(13) . . ?
C12 Ru1 C13 39.45(12) . . ?
N1 Ru1 C15 130.09(12) . . ?
N2 Ru1 C15 146.53(13) . . ?
C12 Ru1 C15 63.50(13) . . ?
C13 Ru1 C15 64.82(13) . . ?
N1 Ru1 C14 110.00(12) . . ?
N2 Ru1 C14 168.45(13) . . ?
C12 Ru1 C14 65.06(13) . . ?
C13 Ru1 C14 39.44(12) . . ?
C15 Ru1 C14 38.28(13) . . ?
N1 Ru1 C11 166.32(13) . . ?
N2 Ru1 C11 113.48(13) . . ?
C12 Ru1 C11 38.09(13) . . ?
C13 Ru1 C11 65.70(13) . . ?
C15 Ru1 C11 38.28(12) . . ?
C14 Ru1 C11 65.11(13) . . ?
N1 Ru1 Ru2 49.63(9) . . ?
N2 Ru1 Ru2 48.98(9) . . ?
C12 Ru1 Ru2 148.73(9) . . ?
C13 Ru1 Ru2 168.52(9) . . ?
C15 Ru1 Ru2 123.84(9) . . ?
C14 Ru1 Ru2 141.85(9) . . ?
C11 Ru1 Ru2 125.76(9) . . ?
C29 Ru2 C1 115.73(14) . . ?
C29 Ru2 C32 62.49(14) . . ?
C1 Ru2 C32 176.91(14) . . ?
C29 Ru2 C5 140.57(15) . . ?
C1 Ru2 C5 37.52(14) . . ?
C32 Ru2 C5 145.44(14) . . ?
C29 Ru2 C30 38.35(13) . . ?
C1 Ru2 C30 116.53(14) . . ?
C32 Ru2 C30 63.89(14) . . ?
C5 Ru2 C30 115.70(14) . . ?
C29 Ru2 C31 63.92(14) . . ?
C1 Ru2 C31 143.74(14) . . ?
C32 Ru2 C31 38.48(14) . . ?
C5 Ru2 C31 117.69(14) . . ?
C30 Ru2 C31 38.70(14) . . ?
C29 Ru2 N2 176.28(13) . . ?
C1 Ru2 N2 62.99(13) . . ?
C32 Ru2 N2 118.95(13) . . ?
C5 Ru2 N2 36.32(13) . . ?
C30 Ru2 N2 138.45(13) . . ?
C31 Ru2 N2 114.78(13) . . ?
C29 Ru2 N1 114.18(13) . . ?
C1 Ru2 N1 36.46(12) . . ?
C32 Ru2 N1 141.22(12) . . ?
C5 Ru2 N1 63.58(13) . . ?
C30 Ru2 N1 139.71(13) . . ?
C31 Ru2 N1 178.09(13) . . ?
N2 Ru2 N1 67.11(11) . . ?
C29 Ru2 C28 37.69(13) . . ?
C1 Ru2 C28 140.09(14) . . ?
C32 Ru2 C28 36.96(13) . . ?
C5 Ru2 C28 177.51(14) . . ?
C30 Ru2 C28 64.03(13) . . ?
C31 Ru2 C28 63.82(14) . . ?
N2 Ru2 C28 145.51(12) . . ?
N1 Ru2 C28 114.86(12) . . ?
C29 Ru2 Ru1 138.96(9) . . ?
C1 Ru2 Ru1 68.91(10) . . ?
C32 Ru2 Ru1 110.59(9) . . ?
C5 Ru2 Ru1 69.44(10) . . ?
C30 Ru2 Ru1 174.34(10) . . ?
C31 Ru2 Ru1 137.60(10) . . ?
N2 Ru2 Ru1 44.46(8) . . ?
N1 Ru2 Ru1 43.86(8) . . ?
C28 Ru2 Ru1 110.95(9) . . ?
C1 N1 C4 106.4(3) . . ?
C1 N1 Ru1 118.6(2) . . ?
C4 N1 Ru1 132.3(2) . . ?
C1 N1 Ru2 69.7(2) . . ?
C4 N1 Ru2 125.5(2) . . ?
Ru1 N1 Ru2 86.51(11) . . ?
C5 N2 C10 115.7(3) . . ?
C5 N2 Ru1 119.3(2) . . ?
C10 N2 Ru1 123.1(3) . . ?
C5 N2 Ru2 70.9(2) . . ?
C10 N2 Ru2 125.2(3) . . ?
Ru1 N2 Ru2 86.56(11) . . ?
N1 C1 C5 113.4(3) . . ?
N1 C1 C2 112.7(3) . . ?
C5 C1 C2 133.7(4) . . ?
N1 C1 Ru2 73.8(2) . . ?
C5 C1 Ru2 71.5(2) . . ?
C2 C1 Ru2 126.8(3) . . ?
C1 C2 C3 101.5(3) . . ?
C1 C2 H2A 111.5 . . ?
C3 C2 H2A 111.5 . . ?
C1 C2 H2B 111.5 . . ?
C3 C2 H2B 111.5 . . ?
H2A C2 H2B 109.3 . . ?
C4 C3 C2 102.1(3) . . ?
C4 C3 H3A 111.4 . . ?
C2 C3 H3A 111.4 . . ?
C4 C3 H3B 111.4 . . ?
C2 C3 H3B 111.4 . . ?
H3A C3 H3B 109.2 . . ?
N1 C4 C3 106.4(3) . . ?
N1 C4 H4A 110.4 . . ?
C3 C4 H4A 110.4 . . ?
N1 C4 H4B 110.4 . . ?
C3 C4 H4B 110.4 . . ?
H4A C4 H4B 108.6 . . ?
N2 C5 C1 111.5(3) . . ?
N2 C5 C6 122.4(3) . . ?
C1 C5 C6 125.0(4) . . ?
N2 C5 Ru2 72.8(2) . . ?
C1 C5 Ru2 71.0(2) . . ?
C6 C5 Ru2 133.3(3) . . ?
C7 C6 C5 113.8(4) . . ?
C7 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
C7 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
C6 C7 C8 112.7(4) . . ?
C6 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
C9 C8 C7 112.6(4) . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C8 113.1(5) . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C8 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
N2 C10 C9 112.7(4) . . ?
N2 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
N2 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C15 105.3(3) . . ?
C12 C11 C16 127.5(3) . . ?
C15 C11 C16 125.9(3) . . ?
C12 C11 Ru1 68.64(19) . . ?
C15 C11 Ru1 69.43(19) . . ?
C16 C11 Ru1 136.0(3) . . ?
C11 C12 C13 110.8(3) . . ?
C11 C12 Ru1 73.27(19) . . ?
C13 C12 Ru1 70.38(18) . . ?
C11 C12 H12 124.6 . . ?
C13 C12 H12 124.6 . . ?
Ru1 C12 H12 123.3 . . ?
C12 C13 C14 106.3(3) . . ?
C12 C13 C20 120.5(3) . . ?
C14 C13 C20 132.7(3) . . ?
C12 C13 Ru1 70.17(18) . . ?
C14 C13 Ru1 71.89(18) . . ?
C20 C13 Ru1 128.4(2) . . ?
C15 C14 C13 106.1(3) . . ?
C15 C14 C24 118.3(3) . . ?
C13 C14 C24 134.0(3) . . ?
C15 C14 Ru1 69.95(19) . . ?
C13 C14 Ru1 68.67(18) . . ?
C24 C14 Ru1 136.7(2) . . ?
C14 C15 C11 111.4(3) . . ?
C14 C15 Ru1 71.77(19) . . ?
C11 C15 Ru1 72.3(2) . . ?
C14 C15 H15 124.3 . . ?
C11 C15 H15 124.3 . . ?
Ru1 C15 H15 123.2 . . ?
C11 C16 C19 111.3(3) . . ?
C11 C16 C17 111.2(3) . . ?
C19 C16 C17 110.8(3) . . ?
C11 C16 C18 107.4(3) . . ?
C19 C16 C18 108.7(4) . . ?
C17 C16 C18 107.3(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C23 C20 C21 111.6(3) . . ?
C23 C20 C22 106.2(3) . . ?
C21 C20 C22 107.0(3) . . ?
C23 C20 C13 112.7(3) . . ?
C21 C20 C13 109.1(3) . . ?
C22 C20 C13 110.1(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C25 108.4(3) . . ?
C26 C24 C14 117.3(3) . . ?
C25 C24 C14 106.7(3) . . ?
C26 C24 C27 106.3(3) . . ?
C25 C24 C27 108.1(3) . . ?
C14 C24 C27 109.7(3) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C28 C29 106.2(3) . . ?
C32 C28 C33 126.7(3) . . ?
C29 C28 C33 125.9(3) . . ?
C32 C28 Ru2 69.5(2) . . ?
C29 C28 Ru2 68.9(2) . . ?
C33 C28 Ru2 135.6(3) . . ?
C28 C29 C30 110.4(3) . . ?
C28 C29 Ru2 73.4(2) . . ?
C30 C29 Ru2 71.6(2) . . ?
C28 C29 H29 124.8 . . ?
C30 C29 H29 124.8 . . ?
Ru2 C29 H29 121.7 . . ?
C29 C30 C31 106.4(3) . . ?
C29 C30 C37 119.8(3) . . ?
C31 C30 C37 133.3(3) . . ?
C29 C30 Ru2 70.03(19) . . ?
C31 C30 Ru2 70.69(19) . . ?
C37 C30 Ru2 130.1(3) . . ?
C32 C31 C30 106.1(3) . . ?
C32 C31 C41 117.9(3) . . ?
C30 C31 C41 133.7(3) . . ?
C32 C31 Ru2 70.2(2) . . ?
C30 C31 Ru2 70.6(2) . . ?
C41 C31 Ru2 136.4(3) . . ?
C28 C32 C31 110.9(3) . . ?
C28 C32 Ru2 73.5(2) . . ?
C31 C32 Ru2 71.3(2) . . ?
C28 C32 H32 124.5 . . ?
C31 C32 H32 124.5 . . ?
Ru2 C32 H32 122.2 . . ?
C28 C33 C35 107.0(3) . . ?
C28 C33 C34 111.3(3) . . ?
C35 C33 C34 109.7(3) . . ?
C28 C33 C36 110.5(3) . . ?
C35 C33 C36 108.9(3) . . ?
C34 C33 C36 109.4(3) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C39 C37 C38 106.6(3) . . ?
C39 C37 C40 110.3(3) . . ?
C38 C37 C40 106.8(3) . . ?
C39 C37 C30 114.1(3) . . ?
C38 C37 C30 110.1(3) . . ?
C40 C37 C30 108.6(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C43 C41 C31 116.2(4) . . ?
C43 C41 C42 108.9(4) . . ?
C31 C41 C42 107.7(4) . . ?
C43 C41 C44 107.1(4) . . ?
C31 C41 C44 110.1(3) . . ?
C42 C41 C44 106.5(4) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 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
C4 N1 C1 C5 -176.6(3) . . . . ?
Ru1 N1 C1 C5 -13.0(4) . . . . ?
Ru2 N1 C1 C5 61.0(3) . . . . ?
C4 N1 C1 C2 -1.2(4) . . . . ?
Ru1 N1 C1 C2 162.3(3) . . . . ?
Ru2 N1 C1 C2 -123.7(3) . . . . ?
C4 N1 C1 Ru2 122.5(3) . . . . ?
Ru1 N1 C1 Ru2 -74.0(2) . . . . ?
N1 C1 C2 C3 20.9(4) . . . . ?
C5 C1 C2 C3 -165.0(4) . . . . ?
Ru2 C1 C2 C3 -65.4(4) . . . . ?
C1 C2 C3 C4 -30.7(4) . . . . ?
C1 N1 C4 C3 -19.6(4) . . . . ?
Ru1 N1 C4 C3 180.0(3) . . . . ?
Ru2 N1 C4 C3 56.8(4) . . . . ?
C2 C3 C4 N1 31.8(4) . . . . ?
C10 N2 C5 C1 178.5(4) . . . . ?
Ru1 N2 C5 C1 13.8(4) . . . . ?
Ru2 N2 C5 C1 -60.7(3) . . . . ?
C10 N2 C5 C6 10.1(6) . . . . ?
Ru1 N2 C5 C6 -154.6(3) . . . . ?
Ru2 N2 C5 C6 130.9(4) . . . . ?
C10 N2 C5 Ru2 -120.7(3) . . . . ?
Ru1 N2 C5 Ru2 74.5(2) . . . . ?
N1 C1 C5 N2 -0.5(5) . . . . ?
C2 C1 C5 N2 -174.5(4) . . . . ?
Ru2 C1 C5 N2 61.8(3) . . . . ?
N1 C1 C5 C6 167.5(4) . . . . ?
C2 C1 C5 C6 -6.5(7) . . . . ?
Ru2 C1 C5 C6 -130.2(4) . . . . ?
N1 C1 C5 Ru2 -62.3(3) . . . . ?
C2 C1 C5 Ru2 123.6(5) . . . . ?
N2 C5 C6 C7 60.4(6) . . . . ?
C1 C5 C6 C7 -106.4(5) . . . . ?
Ru2 C5 C6 C7 157.1(4) . . . . ?
C5 C6 C7 C8 -82.1(5) . . . . ?
C6 C7 C8 C9 64.4(6) . . . . ?
C7 C8 C9 C10 -63.3(6) . . . . ?
C5 N2 C10 C9 -76.1(5) . . . . ?
Ru1 N2 C10 C9 88.0(4) . . . . ?
Ru2 N2 C10 C9 -160.1(3) . . . . ?
C8 C9 C10 N2 87.1(5) . . . . ?
C15 C11 C12 C13 -0.6(4) . . . . ?
C16 C11 C12 C13 167.0(3) . . . . ?
Ru1 C11 C12 C13 -60.7(2) . . . . ?
C15 C11 C12 Ru1 60.1(2) . . . . ?
C16 C11 C12 Ru1 -132.3(4) . . . . ?
C11 C12 C13 C14 -0.8(4) . . . . ?
Ru1 C12 C13 C14 -63.3(2) . . . . ?
C11 C12 C13 C20 -173.9(3) . . . . ?
Ru1 C12 C13 C20 123.6(3) . . . . ?
C11 C12 C13 Ru1 62.5(2) . . . . ?
C12 C13 C14 C15 1.8(4) . . . . ?
C20 C13 C14 C15 173.8(4) . . . . ?
Ru1 C13 C14 C15 -60.3(2) . . . . ?
C12 C13 C14 C24 -162.8(4) . . . . ?
C20 C13 C14 C24 9.2(7) . . . . ?
Ru1 C13 C14 C24 135.1(4) . . . . ?
C12 C13 C14 Ru1 62.1(2) . . . . ?
C20 C13 C14 Ru1 -125.9(4) . . . . ?
C13 C14 C15 C11 -2.3(4) . . . . ?
C24 C14 C15 C11 165.2(3) . . . . ?
Ru1 C14 C15 C11 -61.7(2) . . . . ?
C13 C14 C15 Ru1 59.4(2) . . . . ?
C24 C14 C15 Ru1 -133.1(3) . . . . ?
C12 C11 C15 C14 1.8(4) . . . . ?
C16 C11 C15 C14 -166.0(3) . . . . ?
Ru1 C11 C15 C14 61.4(2) . . . . ?
C12 C11 C15 Ru1 -59.6(2) . . . . ?
C16 C11 C15 Ru1 132.5(4) . . . . ?
C12 C11 C16 C19 135.8(4) . . . . ?
C15 C11 C16 C19 -59.0(5) . . . . ?
Ru1 C11 C16 C19 38.1(5) . . . . ?
C12 C11 C16 C17 11.8(5) . . . . ?
C15 C11 C16 C17 177.0(4) . . . . ?
Ru1 C11 C16 C17 -85.9(4) . . . . ?
C12 C11 C16 C18 -105.3(4) . . . . ?
C15 C11 C16 C18 59.9(5) . . . . ?
Ru1 C11 C16 C18 157.0(3) . . . . ?
C12 C13 C20 C23 -125.7(4) . . . . ?
C14 C13 C20 C23 63.2(5) . . . . ?
Ru1 C13 C20 C23 -37.8(4) . . . . ?
C12 C13 C20 C21 109.8(4) . . . . ?
C14 C13 C20 C21 -61.3(5) . . . . ?
Ru1 C13 C20 C21 -162.3(3) . . . . ?
C12 C13 C20 C22 -7.3(5) . . . . ?
C14 C13 C20 C22 -178.4(4) . . . . ?
Ru1 C13 C20 C22 80.6(4) . . . . ?
C15 C14 C24 C26 159.8(3) . . . . ?
C13 C14 C24 C26 -37.0(5) . . . . ?
Ru1 C14 C24 C26 69.7(4) . . . . ?
C15 C14 C24 C25 -78.5(4) . . . . ?
C13 C14 C24 C25 84.7(5) . . . . ?
Ru1 C14 C24 C25 -168.6(3) . . . . ?
C15 C14 C24 C27 38.5(4) . . . . ?
C13 C14 C24 C27 -158.3(4) . . . . ?
Ru1 C14 C24 C27 -51.7(5) . . . . ?
C32 C28 C29 C30 -2.7(4) . . . . ?
C33 C28 C29 C30 165.7(3) . . . . ?
Ru2 C28 C29 C30 -62.5(3) . . . . ?
C32 C28 C29 Ru2 59.8(2) . . . . ?
C33 C28 C29 Ru2 -131.8(4) . . . . ?
C28 C29 C30 C31 1.9(4) . . . . ?
Ru2 C29 C30 C31 -61.8(2) . . . . ?
C28 C29 C30 C37 -170.8(3) . . . . ?
Ru2 C29 C30 C37 125.5(3) . . . . ?
C28 C29 C30 Ru2 63.6(3) . . . . ?
C29 C30 C31 C32 -0.3(4) . . . . ?
C37 C30 C31 C32 171.0(4) . . . . ?
Ru2 C30 C31 C32 -61.6(2) . . . . ?
C29 C30 C31 C41 -162.1(4) . . . . ?
C37 C30 C31 C41 9.1(7) . . . . ?
Ru2 C30 C31 C41 136.5(5) . . . . ?
C29 C30 C31 Ru2 61.3(2) . . . . ?
C37 C30 C31 Ru2 -127.4(4) . . . . ?
C29 C28 C32 C31 2.5(4) . . . . ?
C33 C28 C32 C31 -165.8(3) . . . . ?
Ru2 C28 C32 C31 61.9(3) . . . . ?
C29 C28 C32 Ru2 -59.4(2) . . . . ?
C33 C28 C32 Ru2 132.3(4) . . . . ?
C30 C31 C32 C28 -1.4(4) . . . . ?
C41 C31 C32 C28 163.8(3) . . . . ?
Ru2 C31 C32 C28 -63.3(3) . . . . ?
C30 C31 C32 Ru2 61.9(2) . . . . ?
C41 C31 C32 Ru2 -132.9(3) . . . . ?
C32 C28 C33 C35 80.3(4) . . . . ?
C29 C28 C33 C35 -85.8(4) . . . . ?
Ru2 C28 C33 C35 178.3(3) . . . . ?
C32 C28 C33 C34 -159.8(4) . . . . ?
C29 C28 C33 C34 34.1(5) . . . . ?
Ru2 C28 C33 C34 -61.9(5) . . . . ?
C32 C28 C33 C36 -38.1(5) . . . . ?
C29 C28 C33 C36 155.8(4) . . . . ?
Ru2 C28 C33 C36 59.8(5) . . . . ?
C29 C30 C37 C39 -127.7(4) . . . . ?
C31 C30 C37 C39 62.0(6) . . . . ?
Ru2 C30 C37 C39 -39.6(5) . . . . ?
C29 C30 C37 C38 -7.9(5) . . . . ?
C31 C30 C37 C38 -178.2(4) . . . . ?
Ru2 C30 C37 C38 80.2(4) . . . . ?
C29 C30 C37 C40 108.8(4) . . . . ?
C31 C30 C37 C40 -61.6(6) . . . . ?
Ru2 C30 C37 C40 -163.1(3) . . . . ?
C32 C31 C41 C43 157.9(4) . . . . ?
C30 C31 C41 C43 -42.0(6) . . . . ?
Ru2 C31 C41 C43 67.8(5) . . . . ?
C32 C31 C41 C42 -79.8(4) . . . . ?
C30 C31 C41 C42 80.4(6) . . . . ?
Ru2 C31 C41 C42 -169.8(3) . . . . ?
C32 C31 C41 C44 35.9(5) . . . . ?
C30 C31 C41 C44 -163.9(4) . . . . ?
Ru2 C31 C41 C44 -54.1(5) . . . . ?

_refine_diff_density_max         1.538
_refine_diff_density_min         -1.258
_refine_diff_density_rms         0.110

####################################################################### 
# 
# 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_7c
_database_code_depnum_ccdc_archive 'CCDC 2296347'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_PLAT910_7c                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    14 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.995, 
there is almost no problem in analysis.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H76 N2 Ru2'
_chemical_formula_weight         859.22

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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   18.4357(8)
_cell_length_b                   11.3913(6)
_cell_length_c                   20.9382(10)
_cell_angle_alpha                90
_cell_angle_beta                 102.3070(10)
_cell_angle_gamma                90
_cell_volume                     4296.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    42825
_cell_measurement_theta_min      3.066
_cell_measurement_theta_max      27.463

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_F_000             1816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.735
_shelx_estimated_absorpt_T_min   0.882
_shelx_estimated_absorpt_T_max   0.898
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.5772
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (T. Higashi, 2001)'
_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            41821
_diffrn_reflns_av_unetI/netI     0.0786
_diffrn_reflns_av_R_equivalents  0.1012
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.066
_diffrn_reflns_theta_max         27.463
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9764
_reflns_number_gt                6804
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0342P)²] 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         9764
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.1021
_refine_ls_wR_factor_gt          0.0910
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_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 0.45899(2) 0.80326(2) 0.70575(2) 0.02163(8) Uani 1 1 d . . . . .
Ru2 Ru 0.54089(2) 0.63121(2) 0.79959(2) 0.02158(8) Uani 1 1 d . . . . .
N1 N 0.45200(14) 0.7468(2) 0.79799(14) 0.0232(6) Uani 1 1 d . . . . .
C1 C 0.51115(17) 0.7838(3) 0.84876(16) 0.0233(7) Uani 1 1 d . . . . .
C2 C 0.50385(19) 0.7741(3) 0.91997(17) 0.0278(8) Uani 1 1 d . . . . .
H2A H 0.5535 0.7852 0.9487 0.033 Uiso 1 1 calc R U . . .
H2B H 0.4869 0.6938 0.9276 0.033 Uiso 1 1 calc R U . . .
C3 C 0.44963(19) 0.8635(3) 0.93958(18) 0.0315(9) Uani 1 1 d . . . . .
H3A H 0.4613 0.8725 0.9877 0.038 Uiso 1 1 calc R U . . .
H3B H 0.4568 0.9407 0.9202 0.038 Uiso 1 1 calc R U . . .
C4 C 0.36867(19) 0.8268(3) 0.91734(18) 0.0346(9) Uani 1 1 d . . . . .
H4A H 0.3370 0.8870 0.9320 0.042 Uiso 1 1 calc R U . . .
H4B H 0.3611 0.7521 0.9392 0.042 Uiso 1 1 calc R U . . .
C5 C 0.34262(19) 0.8104(3) 0.84312(18) 0.0319(9) Uani 1 1 d . . . . .
H5A H 0.2885 0.7952 0.8329 0.038 Uiso 1 1 calc R U . . .
H5B H 0.3514 0.8842 0.8210 0.038 Uiso 1 1 calc R U . . .
C6 C 0.38168(17) 0.7101(3) 0.81573(17) 0.0262(8) Uani 1 1 d . . . . .
H6A H 0.3924 0.6466 0.8487 0.031 Uiso 1 1 calc R U . . .
H6B H 0.3479 0.6779 0.7765 0.031 Uiso 1 1 calc R U . . .
N2 N 0.53770(14) 0.9113(2) 0.76620(14) 0.0240(6) Uani 1 1 d . . . . .
C7 C 0.54987(17) 0.8898(3) 0.83150(17) 0.0233(8) Uani 1 1 d . . . . .
C8 C 0.59541(18) 0.9620(3) 0.87636(17) 0.0276(8) Uani 1 1 d . . . . .
H8 H 0.6024 0.9456 0.9217 0.033 Uiso 1 1 calc R U . . .
C9 C 0.63074(18) 1.0577(3) 0.85570(18) 0.0288(8) Uani 1 1 d . . . . .
C10 C 0.62096(18) 1.0744(3) 0.78872(18) 0.0288(8) Uani 1 1 d . . . . .
H10 H 0.6460 1.1367 0.7723 0.035 Uiso 1 1 calc R U . . .
C11 C 0.57516(18) 1.0011(3) 0.74607(18) 0.0268(8) Uani 1 1 d . . . . .
H11 H 0.5696 1.0140 0.7005 0.032 Uiso 1 1 calc R U . . .
C12 C 0.6769(2) 1.1408(3) 0.9039(2) 0.0376(10) Uani 1 1 d . . . . .
H12A H 0.6616 1.2218 0.8923 0.056 Uiso 1 1 calc R U . . .
H12B H 0.7295 1.1312 0.9028 0.056 Uiso 1 1 calc R U . . .
H12C H 0.6697 1.1235 0.9480 0.056 Uiso 1 1 calc R U . . .
C13 C 0.38233(18) 0.9323(3) 0.64915(17) 0.0279(8) Uani 1 1 d . . . . .
C14 C 0.34654(18) 0.8227(3) 0.65127(17) 0.0280(8) Uani 1 1 d . . . . .
H14 H 0.3055 0.8113 0.6714 0.034 Uiso 1 1 calc R U . . .
C15 C 0.37880(17) 0.7308(3) 0.61974(17) 0.0239(8) Uani 1 1 d . . . . .
C16 C 0.44266(17) 0.7877(3) 0.59900(16) 0.0234(8) Uani 1 1 d . . . . .
C17 C 0.44151(18) 0.9069(3) 0.61705(16) 0.0254(8) Uani 1 1 d . . . . .
H17 H 0.4761 0.9637 0.6088 0.030 Uiso 1 1 calc R U . . .
C18 C 0.35386(19) 1.0534(3) 0.66236(18) 0.0305(8) Uani 1 1 d . . . . .
C19 C 0.3288(2) 1.0586(3) 0.72700(18) 0.0373(9) Uani 1 1 d . . . . .
H19A H 0.3080 1.1363 0.7322 0.056 Uiso 1 1 calc R U . . .
H19B H 0.3714 1.0443 0.7631 0.056 Uiso 1 1 calc R U . . .
H19C H 0.2908 0.9985 0.7274 0.056 Uiso 1 1 calc R U . . .
C20 C 0.2883(3) 1.0790(4) 0.6066(2) 0.0644(15) Uani 1 1 d . . . . .
H20A H 0.2710 1.1595 0.6106 0.097 Uiso 1 1 calc R U . . .
H20B H 0.2480 1.0239 0.6084 0.097 Uiso 1 1 calc R U . . .
H20C H 0.3036 1.0702 0.5648 0.097 Uiso 1 1 calc R U . . .
C21 C 0.4129(2) 1.1479(3) 0.6634(2) 0.0497(12) Uani 1 1 d . . . . .
H21A H 0.3918 1.2251 0.6693 0.075 Uiso 1 1 calc R U . . .
H21B H 0.4296 1.1465 0.6220 0.075 Uiso 1 1 calc R U . . .
H21C H 0.4552 1.1326 0.6996 0.075 Uiso 1 1 calc R U . . .
C22 C 0.34117(19) 0.6103(3) 0.60471(19) 0.0326(9) Uani 1 1 d . . . . .
C23 C 0.3883(2) 0.5088(3) 0.6371(2) 0.0470(11) Uani 1 1 d . . . . .
H23A H 0.3596 0.4359 0.6292 0.071 Uiso 1 1 calc R U . . .
H23B H 0.4029 0.5230 0.6843 0.071 Uiso 1 1 calc R U . . .
H23C H 0.4328 0.5020 0.6188 0.071 Uiso 1 1 calc R U . . .
C24 C 0.2682(2) 0.6087(4) 0.6305(2) 0.0489(12) Uani 1 1 d . . . . .
H24A H 0.2350 0.6707 0.6089 0.073 Uiso 1 1 calc R U . . .
H24B H 0.2797 0.6221 0.6778 0.073 Uiso 1 1 calc R U . . .
H24C H 0.2439 0.5322 0.6211 0.073 Uiso 1 1 calc R U . . .
C25 C 0.3178(2) 0.5905(3) 0.53043(18) 0.0386(10) Uani 1 1 d . . . . .
H25A H 0.2877 0.6570 0.5102 0.058 Uiso 1 1 calc R U . . .
H25B H 0.2886 0.5181 0.5218 0.058 Uiso 1 1 calc R U . . .
H25C H 0.3621 0.5837 0.5119 0.058 Uiso 1 1 calc R U . . .
C26 C 0.49635(18) 0.7510(3) 0.55527(17) 0.0291(8) Uani 1 1 d . . . . .
C27 C 0.4609(2) 0.7844(4) 0.48450(19) 0.0470(11) Uani 1 1 d . . . . .
H27A H 0.4518 0.8692 0.4818 0.070 Uiso 1 1 calc R U . . .
H27B H 0.4138 0.7423 0.4706 0.070 Uiso 1 1 calc R U . . .
H27C H 0.4946 0.7630 0.4559 0.070 Uiso 1 1 calc R U . . .
C28 C 0.5159(2) 0.6210(3) 0.5586(2) 0.0442(11) Uani 1 1 d . . . . .
H28A H 0.5564 0.6071 0.5359 0.066 Uiso 1 1 calc R U . . .
H28B H 0.4723 0.5752 0.5377 0.066 Uiso 1 1 calc R U . . .
H28C H 0.5317 0.5971 0.6044 0.066 Uiso 1 1 calc R U . . .
C29 C 0.57013(19) 0.8175(4) 0.5753(2) 0.0386(10) Uani 1 1 d . . . . .
H29A H 0.5618 0.9013 0.5659 0.058 Uiso 1 1 calc R U . . .
H29B H 0.6056 0.7870 0.5506 0.058 Uiso 1 1 calc R U . . .
H29C H 0.5901 0.8067 0.6222 0.058 Uiso 1 1 calc R U . . .
C30 C 0.51274(17) 0.4410(3) 0.83764(17) 0.0257(8) Uani 1 1 d . . . . .
C31 C 0.57001(17) 0.4999(3) 0.88222(17) 0.0246(8) Uani 1 1 d . . . . .
H31 H 0.5674 0.5213 0.9255 0.030 Uiso 1 1 calc R U . . .
C32 C 0.63257(18) 0.5229(3) 0.85303(17) 0.0247(8) Uani 1 1 d . . . . .
C33 C 0.61141(17) 0.4804(3) 0.78551(17) 0.0226(7) Uani 1 1 d . . . . .
C34 C 0.53660(16) 0.4347(3) 0.77848(16) 0.0226(7) Uani 1 1 d . . . . .
H34 H 0.5076 0.4045 0.7389 0.027 Uiso 1 1 calc R U . . .
C35 C 0.44711(18) 0.3755(3) 0.85493(18) 0.0270(8) Uani 1 1 d . . . . .
C36 C 0.43000(19) 0.4179(3) 0.91965(17) 0.0330(9) Uani 1 1 d . . . . .
H36A H 0.3902 0.3697 0.9305 0.049 Uiso 1 1 calc R U . . .
H36B H 0.4141 0.5001 0.9153 0.049 Uiso 1 1 calc R U . . .
H36C H 0.4747 0.4108 0.9545 0.049 Uiso 1 1 calc R U . . .
C37 C 0.4704(2) 0.2451(3) 0.86381(19) 0.0341(9) Uani 1 1 d . . . . .
H37A H 0.4299 0.1994 0.8751 0.051 Uiso 1 1 calc R U . . .
H37B H 0.5148 0.2382 0.8989 0.051 Uiso 1 1 calc R U . . .
H37C H 0.4812 0.2151 0.8230 0.051 Uiso 1 1 calc R U . . .
C38 C 0.37751(17) 0.3838(3) 0.80051(18) 0.0303(9) Uani 1 1 d . . . . .
H38A H 0.3381 0.3356 0.8118 0.045 Uiso 1 1 calc R U . . .
H38B H 0.3887 0.3554 0.7595 0.045 Uiso 1 1 calc R U . . .
H38C H 0.3611 0.4657 0.7953 0.045 Uiso 1 1 calc R U . . .
C39 C 0.70707(17) 0.5640(3) 0.89644(17) 0.0262(8) Uani 1 1 d . . . . .
C40 C 0.74933(18) 0.4532(3) 0.92618(18) 0.0334(9) Uani 1 1 d . . . . .
H40A H 0.7583 0.4021 0.8910 0.050 Uiso 1 1 calc R U . . .
H40B H 0.7197 0.4110 0.9524 0.050 Uiso 1 1 calc R U . . .
H40C H 0.7969 0.4762 0.9540 0.050 Uiso 1 1 calc R U . . .
C41 C 0.69297(19) 0.6382(4) 0.95314(19) 0.0389(10) Uani 1 1 d . . . . .
H41A H 0.6648 0.5921 0.9791 0.058 Uiso 1 1 calc R U . . .
H41B H 0.6645 0.7082 0.9360 0.058 Uiso 1 1 calc R U . . .
H41C H 0.7405 0.6619 0.9808 0.058 Uiso 1 1 calc R U . . .
C42 C 0.75646(18) 0.6376(3) 0.86258(19) 0.0342(9) Uani 1 1 d . . . . .
H42A H 0.7720 0.5905 0.8287 0.051 Uiso 1 1 calc R U . . .
H42B H 0.8004 0.6632 0.8947 0.051 Uiso 1 1 calc R U . . .
H42C H 0.7288 0.7065 0.8425 0.051 Uiso 1 1 calc R U . . .
C43 C 0.65608(18) 0.4604(3) 0.73196(18) 0.0265(8) Uani 1 1 d . . . . .
C44 C 0.60996(19) 0.3867(3) 0.67604(17) 0.0320(9) Uani 1 1 d . . . . .
H44A H 0.6378 0.3769 0.6414 0.048 Uiso 1 1 calc R U . . .
H44B H 0.5630 0.4269 0.6583 0.048 Uiso 1 1 calc R U . . .
H44C H 0.5998 0.3095 0.6928 0.048 Uiso 1 1 calc R U . . .
C45 C 0.72661(18) 0.3874(3) 0.75856(19) 0.0339(9) Uani 1 1 d . . . . .
H45A H 0.7511 0.3683 0.7227 0.051 Uiso 1 1 calc R U . . .
H45B H 0.7129 0.3148 0.7781 0.051 Uiso 1 1 calc R U . . .
H45C H 0.7606 0.4330 0.7918 0.051 Uiso 1 1 calc R U . . .
C46 C 0.67790(18) 0.5746(3) 0.70169(18) 0.0304(8) Uani 1 1 d . . . . .
H46A H 0.7034 0.5556 0.6664 0.046 Uiso 1 1 calc R U . . .
H46B H 0.7111 0.6205 0.7353 0.046 Uiso 1 1 calc R U . . .
H46C H 0.6331 0.6204 0.6840 0.046 Uiso 1 1 calc R U . . .
H1 H 0.5260(18) 0.687(3) 0.7191(17) 0.041(11) Uiso 1 1 d . . . . .
H2 H 0.6027(18) 0.712(3) 0.7892(17) 0.045(11) 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 2.065(3) . ?
Ru1 N2 2.107(3) . ?
Ru1 C14 2.154(3) . ?
Ru1 C17 2.166(3) . ?
Ru1 C16 2.198(3) . ?
Ru1 C13 2.202(3) . ?
Ru1 C15 2.231(3) . ?
Ru1 Ru2 2.9524(4) . ?
Ru1 H1 1.80(3) . ?
Ru2 N1 2.097(3) . ?
Ru2 C1 2.150(3) . ?
Ru2 C32 2.197(3) . ?
Ru2 C33 2.212(3) . ?
Ru2 C31 2.264(3) . ?
Ru2 C34 2.280(3) . ?
Ru2 C30 2.403(3) . ?
Ru2 H1 1.77(4) . ?
Ru2 H2 1.52(4) . ?
N1 C1 1.415(4) . ?
N1 C6 1.483(4) . ?
C1 C7 1.487(5) . ?
C1 C2 1.529(5) . ?
C2 C3 1.543(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.524(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.537(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.526(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
N2 C11 1.351(4) . ?
N2 C7 1.360(4) . ?
C7 C8 1.388(5) . ?
C8 C9 1.386(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(5) . ?
C9 C12 1.508(5) . ?
C10 C11 1.373(5) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.418(5) . ?
C13 C17 1.428(5) . ?
C13 C18 1.522(5) . ?
C14 C15 1.433(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.488(5) . ?
C15 C22 1.539(5) . ?
C16 C17 1.411(5) . ?
C16 C26 1.542(5) . ?
C17 H17 0.9500 . ?
C18 C20 1.519(5) . ?
C18 C19 1.522(5) . ?
C18 C21 1.528(5) . ?
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 C23 1.517(5) . ?
C22 C25 1.540(5) . ?
C22 C24 1.553(5) . ?
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 C28 1.522(5) . ?
C26 C27 1.534(5) . ?
C26 C29 1.535(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C34 1.402(5) . ?
C30 C31 1.420(5) . ?
C30 C35 1.529(4) . ?
C31 C32 1.440(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.466(5) . ?
C32 C39 1.549(4) . ?
C33 C34 1.452(4) . ?
C33 C43 1.543(5) . ?
C34 H34 0.9500 . ?
C35 C38 1.527(5) . ?
C35 C36 1.533(5) . ?
C35 C37 1.546(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C42 1.520(5) . ?
C39 C41 1.524(5) . ?
C39 C40 1.543(5) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C46 1.537(5) . ?
C43 C44 1.541(5) . ?
C43 C45 1.544(4) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 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 78.01(11) . . ?
N1 Ru1 C14 106.40(12) . . ?
N2 Ru1 C14 136.07(12) . . ?
N1 Ru1 C17 160.72(12) . . ?
N2 Ru1 C17 98.88(12) . . ?
C14 Ru1 C17 62.58(13) . . ?
N1 Ru1 C16 154.61(12) . . ?
N2 Ru1 C16 125.84(12) . . ?
C14 Ru1 C16 64.03(13) . . ?
C17 Ru1 C16 37.72(12) . . ?
N1 Ru1 C13 123.39(12) . . ?
N2 Ru1 C13 102.37(12) . . ?
C14 Ru1 C13 37.97(13) . . ?
C17 Ru1 C13 38.14(12) . . ?
C16 Ru1 C13 64.76(13) . . ?
N1 Ru1 C15 118.49(12) . . ?
N2 Ru1 C15 162.62(12) . . ?
C14 Ru1 C15 38.10(12) . . ?
C17 Ru1 C15 63.75(13) . . ?
C16 Ru1 C15 39.25(12) . . ?
C13 Ru1 C15 64.78(13) . . ?
N1 Ru1 Ru2 45.26(7) . . ?
N2 Ru1 Ru2 78.39(8) . . ?
C14 Ru1 Ru2 135.93(10) . . ?
C17 Ru1 Ru2 153.37(9) . . ?
C16 Ru1 Ru2 124.25(9) . . ?
C13 Ru1 Ru2 168.49(9) . . ?
C15 Ru1 Ru2 116.64(9) . . ?
N1 Ru1 H1 78.6(11) . . ?
N2 Ru1 H1 88.6(11) . . ?
C14 Ru1 H1 135.3(11) . . ?
C17 Ru1 H1 120.6(11) . . ?
C16 Ru1 H1 92.2(11) . . ?
C13 Ru1 H1 156.8(11) . . ?
C15 Ru1 H1 99.6(11) . . ?
Ru2 Ru1 H1 33.7(11) . . ?
N1 Ru2 C1 38.90(11) . . ?
N1 Ru2 C32 151.02(12) . . ?
C1 Ru2 C32 117.21(13) . . ?
N1 Ru2 C33 164.85(12) . . ?
C1 Ru2 C33 155.36(12) . . ?
C32 Ru2 C33 38.85(12) . . ?
N1 Ru2 C31 118.98(11) . . ?
C1 Ru2 C31 102.20(13) . . ?
C32 Ru2 C31 37.63(12) . . ?
C33 Ru2 C31 62.50(12) . . ?
N1 Ru2 C34 128.23(11) . . ?
C1 Ru2 C34 152.22(12) . . ?
C32 Ru2 C34 62.51(12) . . ?
C33 Ru2 C34 37.69(11) . . ?
C31 Ru2 C34 59.48(12) . . ?
N1 Ru2 C30 110.39(11) . . ?
C1 Ru2 C30 118.36(12) . . ?
C32 Ru2 C30 61.43(11) . . ?
C33 Ru2 C30 61.22(12) . . ?
C31 Ru2 C30 35.27(11) . . ?
C34 Ru2 C30 34.71(11) . . ?
N1 Ru2 Ru1 44.39(8) . . ?
C1 Ru2 Ru1 68.63(9) . . ?
C32 Ru2 Ru1 160.18(9) . . ?
C33 Ru2 Ru1 131.20(9) . . ?
C31 Ru2 Ru1 162.12(8) . . ?
C34 Ru2 Ru1 122.08(8) . . ?
C30 Ru2 Ru1 134.68(8) . . ?
N1 Ru2 H1 78.4(11) . . ?
C1 Ru2 H1 99.5(12) . . ?
C32 Ru2 H1 129.3(11) . . ?
C33 Ru2 H1 97.2(11) . . ?
C31 Ru2 H1 158.3(12) . . ?
C34 Ru2 H1 100.0(12) . . ?
C30 Ru2 H1 129.6(12) . . ?
Ru1 Ru2 H1 34.3(11) . . ?
N1 Ru2 H2 102.9(13) . . ?
C1 Ru2 H2 81.5(14) . . ?
C32 Ru2 H2 84.0(13) . . ?
C33 Ru2 H2 88.5(14) . . ?
C31 Ru2 H2 116.7(13) . . ?
C34 Ru2 H2 124.5(14) . . ?
C30 Ru2 H2 144.9(13) . . ?
Ru1 Ru2 H2 78.1(13) . . ?
H1 Ru2 H2 67.3(16) . . ?
C1 N1 C6 118.1(3) . . ?
C1 N1 Ru1 114.7(2) . . ?
C6 N1 Ru1 123.7(2) . . ?
C1 N1 Ru2 72.55(17) . . ?
C6 N1 Ru2 122.7(2) . . ?
Ru1 N1 Ru2 90.36(10) . . ?
N1 C1 C7 113.1(3) . . ?
N1 C1 C2 119.8(3) . . ?
C7 C1 C2 116.2(3) . . ?
N1 C1 Ru2 68.55(17) . . ?
C7 C1 Ru2 110.8(2) . . ?
C2 C1 Ru2 119.5(2) . . ?
C1 C2 C3 114.1(3) . . ?
C1 C2 H2A 108.7 . . ?
C3 C2 H2A 108.7 . . ?
C1 C2 H2B 108.7 . . ?
C3 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
C4 C3 C2 112.7(3) . . ?
C4 C3 H3A 109.1 . . ?
C2 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
C2 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 C5 114.6(3) . . ?
C3 C4 H4A 108.6 . . ?
C5 C4 H4A 108.6 . . ?
C3 C4 H4B 108.6 . . ?
C5 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C6 C5 C4 113.6(3) . . ?
C6 C5 H5A 108.8 . . ?
C4 C5 H5A 108.8 . . ?
C6 C5 H5B 108.8 . . ?
C4 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
N1 C6 C5 113.0(3) . . ?
N1 C6 H6A 109.0 . . ?
C5 C6 H6A 109.0 . . ?
N1 C6 H6B 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C11 N2 C7 117.6(3) . . ?
C11 N2 Ru1 126.0(2) . . ?
C7 N2 Ru1 116.4(2) . . ?
N2 C7 C8 121.4(3) . . ?
N2 C7 C1 113.9(3) . . ?
C8 C7 C1 124.7(3) . . ?
C9 C8 C7 120.8(3) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 117.0(3) . . ?
C8 C9 C12 121.4(3) . . ?
C10 C9 C12 121.6(3) . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
N2 C11 C10 122.8(3) . . ?
N2 C11 H11 118.6 . . ?
C10 C11 H11 118.6 . . ?
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 . . ?
C14 C13 C17 104.1(3) . . ?
C14 C13 C18 127.7(3) . . ?
C17 C13 C18 126.7(3) . . ?
C14 C13 Ru1 69.17(19) . . ?
C17 C13 Ru1 69.56(19) . . ?
C18 C13 Ru1 135.5(2) . . ?
C13 C14 C15 112.8(3) . . ?
C13 C14 Ru1 72.85(19) . . ?
C15 C14 Ru1 73.85(19) . . ?
C13 C14 H14 123.6 . . ?
C15 C14 H14 123.6 . . ?
Ru1 C14 H14 121.2 . . ?
C14 C15 C16 104.4(3) . . ?
C14 C15 C22 122.2(3) . . ?
C16 C15 C22 132.8(3) . . ?
C14 C15 Ru1 68.05(18) . . ?
C16 C15 Ru1 69.20(17) . . ?
C22 C15 Ru1 133.4(2) . . ?
C17 C16 C15 106.4(3) . . ?
C17 C16 C26 117.9(3) . . ?
C15 C16 C26 134.7(3) . . ?
C17 C16 Ru1 69.91(19) . . ?
C15 C16 Ru1 71.56(18) . . ?
C26 C16 Ru1 131.3(2) . . ?
C16 C17 C13 112.2(3) . . ?
C16 C17 Ru1 72.4(2) . . ?
C13 C17 Ru1 72.3(2) . . ?
C16 C17 H17 123.9 . . ?
C13 C17 H17 123.9 . . ?
Ru1 C17 H17 123.0 . . ?
C20 C18 C13 106.4(3) . . ?
C20 C18 C19 109.5(3) . . ?
C13 C18 C19 112.3(3) . . ?
C20 C18 C21 108.9(4) . . ?
C13 C18 C21 111.6(3) . . ?
C19 C18 C21 108.1(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C15 113.4(3) . . ?
C23 C22 C25 110.5(3) . . ?
C15 C22 C25 110.7(3) . . ?
C23 C22 C24 106.9(3) . . ?
C15 C22 C24 109.0(3) . . ?
C25 C22 C24 105.8(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C28 C26 C27 109.5(3) . . ?
C28 C26 C29 106.2(3) . . ?
C27 C26 C29 108.1(3) . . ?
C28 C26 C16 114.3(3) . . ?
C27 C26 C16 108.1(3) . . ?
C29 C26 C16 110.3(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C34 C30 C31 106.0(3) . . ?
C34 C30 C35 126.7(3) . . ?
C31 C30 C35 126.1(3) . . ?
C34 C30 Ru2 67.81(19) . . ?
C31 C30 Ru2 66.98(19) . . ?
C35 C30 Ru2 139.1(2) . . ?
C30 C31 C32 110.9(3) . . ?
C30 C31 Ru2 77.8(2) . . ?
C32 C31 Ru2 68.67(19) . . ?
C30 C31 H31 124.5 . . ?
C32 C31 H31 124.5 . . ?
Ru2 C31 H31 120.5 . . ?
C31 C32 C33 106.1(3) . . ?
C31 C32 C39 119.8(3) . . ?
C33 C32 C39 133.3(3) . . ?
C31 C32 Ru2 73.71(19) . . ?
C33 C32 Ru2 71.12(18) . . ?
C39 C32 Ru2 128.2(2) . . ?
C34 C33 C32 105.5(3) . . ?
C34 C33 C43 121.1(3) . . ?
C32 C33 C43 132.5(3) . . ?
C34 C33 Ru2 73.70(18) . . ?
C32 C33 Ru2 70.03(18) . . ?
C43 C33 Ru2 129.2(2) . . ?
C30 C34 C33 111.2(3) . . ?
C30 C34 Ru2 77.5(2) . . ?
C33 C34 Ru2 68.61(18) . . ?
C30 C34 H34 124.4 . . ?
C33 C34 H34 124.4 . . ?
Ru2 C34 H34 121.0 . . ?
C38 C35 C30 112.0(3) . . ?
C38 C35 C36 110.0(3) . . ?
C30 C35 C36 112.2(3) . . ?
C38 C35 C37 108.5(3) . . ?
C30 C35 C37 106.5(3) . . ?
C36 C35 C37 107.5(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C42 C39 C41 106.0(3) . . ?
C42 C39 C40 109.8(3) . . ?
C41 C39 C40 107.1(3) . . ?
C42 C39 C32 115.9(3) . . ?
C41 C39 C32 110.3(3) . . ?
C40 C39 C32 107.3(3) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C46 C43 C44 107.3(3) . . ?
C46 C43 C33 113.7(3) . . ?
C44 C43 C33 109.8(3) . . ?
C46 C43 C45 109.3(3) . . ?
C44 C43 C45 105.5(3) . . ?
C33 C43 C45 110.9(3) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 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
C6 N1 C1 C7 -137.3(3) . . . . ?
Ru1 N1 C1 C7 22.3(3) . . . . ?
Ru2 N1 C1 C7 104.4(3) . . . . ?
C6 N1 C1 C2 5.7(4) . . . . ?
Ru1 N1 C1 C2 165.2(2) . . . . ?
Ru2 N1 C1 C2 -112.7(3) . . . . ?
C6 N1 C1 Ru2 118.3(3) . . . . ?
Ru1 N1 C1 Ru2 -82.09(15) . . . . ?
N1 C1 C2 C3 -71.9(4) . . . . ?
C7 C1 C2 C3 70.0(4) . . . . ?
Ru2 C1 C2 C3 -152.7(2) . . . . ?
C1 C2 C3 C4 79.6(4) . . . . ?
C2 C3 C4 C5 -59.2(4) . . . . ?
C3 C4 C5 C6 64.6(4) . . . . ?
C1 N1 C6 C5 65.3(4) . . . . ?
Ru1 N1 C6 C5 -92.3(3) . . . . ?
Ru2 N1 C6 C5 151.8(2) . . . . ?
C4 C5 C6 N1 -87.4(4) . . . . ?
C11 N2 C7 C8 4.1(5) . . . . ?
Ru1 N2 C7 C8 -174.1(2) . . . . ?
C11 N2 C7 C1 -175.3(3) . . . . ?
Ru1 N2 C7 C1 6.5(3) . . . . ?
N1 C1 C7 N2 -18.6(4) . . . . ?
C2 C1 C7 N2 -163.0(3) . . . . ?
Ru2 C1 C7 N2 56.1(3) . . . . ?
N1 C1 C7 C8 162.0(3) . . . . ?
C2 C1 C7 C8 17.7(5) . . . . ?
Ru2 C1 C7 C8 -123.2(3) . . . . ?
N2 C7 C8 C9 -0.8(5) . . . . ?
C1 C7 C8 C9 178.5(3) . . . . ?
C7 C8 C9 C10 -2.7(5) . . . . ?
C7 C8 C9 C12 176.5(3) . . . . ?
C8 C9 C10 C11 3.0(5) . . . . ?
C12 C9 C10 C11 -176.3(3) . . . . ?
C7 N2 C11 C10 -3.9(5) . . . . ?
Ru1 N2 C11 C10 174.2(3) . . . . ?
C9 C10 C11 N2 0.3(5) . . . . ?
C17 C13 C14 C15 -2.3(4) . . . . ?
C18 C13 C14 C15 164.3(3) . . . . ?
Ru1 C13 C14 C15 -63.5(2) . . . . ?
C17 C13 C14 Ru1 61.3(2) . . . . ?
C18 C13 C14 Ru1 -132.2(4) . . . . ?
C13 C14 C15 C16 2.9(4) . . . . ?
Ru1 C14 C15 C16 -60.1(2) . . . . ?
C13 C14 C15 C22 -168.6(3) . . . . ?
Ru1 C14 C15 C22 128.5(3) . . . . ?
C13 C14 C15 Ru1 63.0(2) . . . . ?
C14 C15 C16 C17 -2.2(4) . . . . ?
C22 C15 C16 C17 167.9(4) . . . . ?
Ru1 C15 C16 C17 -61.6(2) . . . . ?
C14 C15 C16 C26 -170.3(4) . . . . ?
C22 C15 C16 C26 -0.1(6) . . . . ?
Ru1 C15 C16 C26 130.4(4) . . . . ?
C14 C15 C16 Ru1 59.3(2) . . . . ?
C22 C15 C16 Ru1 -130.5(4) . . . . ?
C15 C16 C17 C13 1.0(4) . . . . ?
C26 C16 C17 C13 171.4(3) . . . . ?
Ru1 C16 C17 C13 -61.7(2) . . . . ?
C15 C16 C17 Ru1 62.7(2) . . . . ?
C26 C16 C17 Ru1 -126.9(3) . . . . ?
C14 C13 C17 C16 0.7(4) . . . . ?
C18 C13 C17 C16 -166.0(3) . . . . ?
Ru1 C13 C17 C16 61.7(2) . . . . ?
C14 C13 C17 Ru1 -61.0(2) . . . . ?
C18 C13 C17 Ru1 132.2(3) . . . . ?
C14 C13 C18 C20 -68.4(5) . . . . ?
C17 C13 C18 C20 95.3(4) . . . . ?
Ru1 C13 C18 C20 -166.8(3) . . . . ?
C14 C13 C18 C19 51.4(5) . . . . ?
C17 C13 C18 C19 -145.0(3) . . . . ?
Ru1 C13 C18 C19 -47.1(5) . . . . ?
C14 C13 C18 C21 172.9(4) . . . . ?
C17 C13 C18 C21 -23.4(5) . . . . ?
Ru1 C13 C18 C21 74.5(4) . . . . ?
C14 C15 C22 C23 -120.4(4) . . . . ?
C16 C15 C22 C23 70.9(5) . . . . ?
Ru1 C15 C22 C23 -31.2(5) . . . . ?
C14 C15 C22 C25 114.6(4) . . . . ?
C16 C15 C22 C25 -54.1(5) . . . . ?
Ru1 C15 C22 C25 -156.1(3) . . . . ?
C14 C15 C22 C24 -1.4(5) . . . . ?
C16 C15 C22 C24 -170.1(4) . . . . ?
Ru1 C15 C22 C24 87.8(4) . . . . ?
C17 C16 C26 C28 158.3(3) . . . . ?
C15 C16 C26 C28 -34.7(5) . . . . ?
Ru1 C16 C26 C28 71.3(4) . . . . ?
C17 C16 C26 C27 -79.5(4) . . . . ?
C15 C16 C26 C27 87.5(5) . . . . ?
Ru1 C16 C26 C27 -166.5(3) . . . . ?
C17 C16 C26 C29 38.6(4) . . . . ?
C15 C16 C26 C29 -154.4(4) . . . . ?
Ru1 C16 C26 C29 -48.4(4) . . . . ?
C34 C30 C31 C32 -4.5(4) . . . . ?
C35 C30 C31 C32 163.8(3) . . . . ?
Ru2 C30 C31 C32 -61.2(2) . . . . ?
C34 C30 C31 Ru2 56.7(2) . . . . ?
C35 C30 C31 Ru2 -135.0(3) . . . . ?
C30 C31 C32 C33 2.6(4) . . . . ?
Ru2 C31 C32 C33 -64.2(2) . . . . ?
C30 C31 C32 C39 -168.0(3) . . . . ?
Ru2 C31 C32 C39 125.1(3) . . . . ?
C30 C31 C32 Ru2 66.8(2) . . . . ?
C31 C32 C33 C34 0.2(4) . . . . ?
C39 C32 C33 C34 169.1(3) . . . . ?
Ru2 C32 C33 C34 -65.7(2) . . . . ?
C31 C32 C33 C43 -168.7(3) . . . . ?
C39 C32 C33 C43 0.2(6) . . . . ?
Ru2 C32 C33 C43 125.3(4) . . . . ?
C31 C32 C33 Ru2 66.0(2) . . . . ?
C39 C32 C33 Ru2 -125.2(4) . . . . ?
C31 C30 C34 C33 4.6(4) . . . . ?
C35 C30 C34 C33 -163.6(3) . . . . ?
Ru2 C30 C34 C33 60.8(2) . . . . ?
C31 C30 C34 Ru2 -56.2(2) . . . . ?
C35 C30 C34 Ru2 135.6(3) . . . . ?
C32 C33 C34 C30 -3.1(4) . . . . ?
C43 C33 C34 C30 167.4(3) . . . . ?
Ru2 C33 C34 C30 -66.3(3) . . . . ?
C32 C33 C34 Ru2 63.2(2) . . . . ?
C43 C33 C34 Ru2 -126.3(3) . . . . ?
C34 C30 C35 C38 -46.9(5) . . . . ?
C31 C30 C35 C38 147.2(3) . . . . ?
Ru2 C30 C35 C38 51.2(5) . . . . ?
C34 C30 C35 C36 -171.1(3) . . . . ?
C31 C30 C35 C36 22.9(5) . . . . ?
Ru2 C30 C35 C36 -73.0(4) . . . . ?
C34 C30 C35 C37 71.5(4) . . . . ?
C31 C30 C35 C37 -94.4(4) . . . . ?
Ru2 C30 C35 C37 169.7(3) . . . . ?
C31 C32 C39 C42 -152.9(3) . . . . ?
C33 C32 C39 C42 39.5(5) . . . . ?
Ru2 C32 C39 C42 -60.7(4) . . . . ?
C31 C32 C39 C41 -32.4(4) . . . . ?
C33 C32 C39 C41 160.0(4) . . . . ?
Ru2 C32 C39 C41 59.8(4) . . . . ?
C31 C32 C39 C40 84.0(4) . . . . ?
C33 C32 C39 C40 -83.6(4) . . . . ?
Ru2 C32 C39 C40 176.2(3) . . . . ?
C34 C33 C43 C46 119.0(3) . . . . ?
C32 C33 C43 C46 -73.5(5) . . . . ?
Ru2 C33 C43 C46 25.1(4) . . . . ?
C34 C33 C43 C44 -1.2(4) . . . . ?
C32 C33 C43 C44 166.3(3) . . . . ?
Ru2 C33 C43 C44 -95.1(3) . . . . ?
C34 C33 C43 C45 -117.4(3) . . . . ?
C32 C33 C43 C45 50.1(5) . . . . ?
Ru2 C33 C43 C45 148.7(3) . . . . ?

_refine_diff_density_max         0.858
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.108

####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2296348'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT910_11                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)    12 note.
RESPONSE: Certain part of the reflections is missing presumably 
because they are hidden behind the beam stopper. 
However, because the data completeness is 0.998, 
there is almost no problem in analysis.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H70 N2 O Ru2'
_chemical_formula_weight         833.15

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   12.2704(5)
_cell_length_b                   16.9468(7)
_cell_length_c                   20.4301(9)
_cell_angle_alpha                90
_cell_angle_beta                 104.068(2)
_cell_angle_gamma                90
_cell_volume                     4120.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    66595
_cell_measurement_theta_min      2.985
_cell_measurement_theta_max      27.477

_exptl_crystal_description       platelet
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             1752
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.238
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.097
_exptl_absorpt_coefficient_mu    0.766
_shelx_estimated_absorpt_T_min   0.839
_shelx_estimated_absorpt_T_max   0.929
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.7885
_exptl_absorpt_correction_T_max  1.0000
_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            65343
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.985
_diffrn_reflns_theta_max         27.477
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9419
_reflns_number_gt                7627
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'RAPID AUTO (Rigaku, 2006)'
_computing_cell_refinement       'RAPID AUTO (Rigaku, 2006)'
_computing_data_reduction        'RAPID AUTO (Rigaku, 2006)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0398P)²+0.9039P] 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         9419
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0350
_refine_ls_wR_factor_ref         0.0866
_refine_ls_wR_factor_gt          0.0818
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.49379(2) 0.27886(2) 0.36187(2) 0.02017(6) Uani 1 1 d . . . . .
Ru2 Ru 0.28540(2) 0.26506(2) 0.39874(2) 0.01995(6) Uani 1 1 d . . . . .
O1 O 0.47669(17) 0.33152(12) 0.50236(9) 0.0342(5) Uani 1 1 d . . . . .
N1 N 0.32855(19) 0.27874(12) 0.30795(10) 0.0230(5) Uani 1 1 d . . . . .
N2 N 0.4568(2) 0.39892(13) 0.35628(12) 0.0307(5) Uani 1 1 d . . . . .
C1 C 0.2739(2) 0.35071(16) 0.31817(14) 0.0292(6) Uani 1 1 d . . . . .
C2 C 0.1658(3) 0.3600(2) 0.26346(16) 0.0388(7) Uani 1 1 d . . . . .
H2A H 0.181(3) 0.3981(19) 0.2269(17) 0.047 Uiso 1 1 d . U . . .
H2B H 0.103(3) 0.3765(19) 0.2772(16) 0.047 Uiso 1 1 d . U . . .
C3 C 0.1470(3) 0.2772(2) 0.23293(16) 0.0376(7) Uani 1 1 d . . . . .
H3A H 0.103(3) 0.2434(19) 0.2552(17) 0.045 Uiso 1 1 d . U . . .
H3B H 0.111(3) 0.2797(19) 0.1896(18) 0.045 Uiso 1 1 d . U . . .
C4 C 0.2653(2) 0.24377(18) 0.24385(14) 0.0291(6) Uani 1 1 d . . . . .
H4A H 0.277(2) 0.1835(18) 0.2470(15) 0.035 Uiso 1 1 d . U . . .
H4B H 0.301(3) 0.2641(17) 0.2082(16) 0.035 Uiso 1 1 d . U . . .
C5 C 0.3512(3) 0.41501(15) 0.33896(14) 0.0314(7) Uani 1 1 d . . . . .
C6 C 0.3257(4) 0.50127(18) 0.3468(2) 0.0495(10) Uani 1 1 d . . . . .
H6A H 0.286(3) 0.512(2) 0.3830(18) 0.059 Uiso 1 1 d . U . . .
H6B H 0.282(3) 0.525(2) 0.3055(18) 0.059 Uiso 1 1 d . U . . .
C7 C 0.4426(5) 0.5372(2) 0.3716(2) 0.0695(14) Uani 1 1 d . . . . .
H7A H 0.472(3) 0.560(3) 0.327(2) 0.083 Uiso 1 1 d . U . . .
H7B H 0.452(4) 0.572(3) 0.402(2) 0.083 Uiso 1 1 d . U . . .
C8 C 0.5235(3) 0.46797(18) 0.3853(2) 0.0454(9) Uani 1 1 d . . . . .
H8A H 0.591(3) 0.474(2) 0.3694(17) 0.054 Uiso 1 1 d . U . . .
H8B H 0.547(3) 0.455(2) 0.4361(18) 0.054 Uiso 1 1 d . U . . .
C9 C 0.4299(2) 0.30444(15) 0.44987(13) 0.0253(6) Uani 1 1 d . . . . .
C10 C 0.6658(2) 0.24140(16) 0.42103(13) 0.0247(5) Uani 1 1 d . . . . .
C11 C 0.6726(2) 0.29374(16) 0.36863(13) 0.0249(6) Uani 1 1 d . . . . .
H11 H 0.7075 0.3441 0.3756 0.030 Uiso 1 1 calc R U . . .
C12 C 0.6204(2) 0.26182(15) 0.30314(13) 0.0225(5) Uani 1 1 d . . . . .
C13 C 0.5789(2) 0.18387(14) 0.31665(12) 0.0207(5) Uani 1 1 d . . . . .
C14 C 0.6045(2) 0.17490(15) 0.38835(12) 0.0217(5) Uani 1 1 d . . . . .
H14 H 0.5835 0.1307 0.4111 0.026 Uiso 1 1 calc R U . . .
C15 C 0.7371(2) 0.24690(18) 0.49337(14) 0.0302(6) Uani 1 1 d . . . . .
C16 C 0.7580(3) 0.33318(18) 0.51547(15) 0.0388(7) Uani 1 1 d . . . . .
H16A H 0.8046 0.3351 0.5618 0.058 Uiso 1 1 calc R U . . .
H16B H 0.6860 0.3593 0.5134 0.058 Uiso 1 1 calc R U . . .
H16C H 0.7969 0.3602 0.4853 0.058 Uiso 1 1 calc R U . . .
C17 C 0.8489(2) 0.2060(2) 0.49222(15) 0.0386(7) Uani 1 1 d . . . . .
H17A H 0.9012 0.2108 0.5367 0.058 Uiso 1 1 calc R U . . .
H17B H 0.8816 0.2313 0.4582 0.058 Uiso 1 1 calc R U . . .
H17C H 0.8351 0.1501 0.4810 0.058 Uiso 1 1 calc R U . . .
C18 C 0.6852(3) 0.2037(2) 0.54376(14) 0.0406(7) Uani 1 1 d . . . . .
H18A H 0.7386 0.2031 0.5881 0.061 Uiso 1 1 calc R U . . .
H18B H 0.6674 0.1493 0.5284 0.061 Uiso 1 1 calc R U . . .
H18C H 0.6162 0.2307 0.5472 0.061 Uiso 1 1 calc R U . . .
C19 C 0.6309(2) 0.30378(16) 0.23849(13) 0.0280(6) Uani 1 1 d . . . . .
C20 C 0.7099(3) 0.25627(19) 0.20543(15) 0.0371(7) Uani 1 1 d . . . . .
H20A H 0.7197 0.2842 0.1653 0.056 Uiso 1 1 calc R U . . .
H20B H 0.6774 0.2041 0.1924 0.056 Uiso 1 1 calc R U . . .
H20C H 0.7830 0.2502 0.2376 0.056 Uiso 1 1 calc R U . . .
C21 C 0.6871(3) 0.38527(18) 0.25563(16) 0.0416(8) Uani 1 1 d . . . . .
H21A H 0.6953 0.4109 0.2141 0.062 Uiso 1 1 calc R U . . .
H21B H 0.7613 0.3784 0.2864 0.062 Uiso 1 1 calc R U . . .
H21C H 0.6402 0.4182 0.2773 0.062 Uiso 1 1 calc R U . . .
C22 C 0.5182(3) 0.31992(18) 0.18864(14) 0.0351(7) Uani 1 1 d . . . . .
H22A H 0.5312 0.3470 0.1488 0.053 Uiso 1 1 calc R U . . .
H22B H 0.4719 0.3533 0.2102 0.053 Uiso 1 1 calc R U . . .
H22C H 0.4794 0.2698 0.1749 0.053 Uiso 1 1 calc R U . . .
C23 C 0.5389(2) 0.11029(14) 0.27280(13) 0.0225(5) Uani 1 1 d . . . . .
C24 C 0.6444(2) 0.06083(17) 0.27277(15) 0.0336(7) Uani 1 1 d . . . . .
H24A H 0.6931 0.0902 0.2499 0.050 Uiso 1 1 calc R U . . .
H24B H 0.6219 0.0110 0.2490 0.050 Uiso 1 1 calc R U . . .
H24C H 0.6852 0.0499 0.3194 0.050 Uiso 1 1 calc R U . . .
C25 C 0.4759(2) 0.12389(16) 0.19920(12) 0.0263(6) Uani 1 1 d . . . . .
H25A H 0.5238 0.1538 0.1761 0.040 Uiso 1 1 calc R U . . .
H25B H 0.4069 0.1537 0.1977 0.040 Uiso 1 1 calc R U . . .
H25C H 0.4569 0.0729 0.1767 0.040 Uiso 1 1 calc R U . . .
C26 C 0.4607(2) 0.06105(16) 0.30536(14) 0.0306(6) Uani 1 1 d . . . . .
H26A H 0.5039 0.0390 0.3482 0.046 Uiso 1 1 calc R U . . .
H26B H 0.4277 0.0180 0.2749 0.046 Uiso 1 1 calc R U . . .
H26C H 0.4006 0.0948 0.3137 0.046 Uiso 1 1 calc R U . . .
C27 C 0.1677(2) 0.29617(15) 0.45967(13) 0.0248(6) Uani 1 1 d . . . . .
C28 C 0.2483(2) 0.24335(15) 0.49706(13) 0.0231(5) Uani 1 1 d . . . . .
H28 H 0.3027 0.2570 0.5371 0.028 Uiso 1 1 calc R U . . .
C29 C 0.2370(2) 0.16579(14) 0.46654(13) 0.0229(5) Uani 1 1 d . . . . .
C30 C 0.1432(2) 0.17008(15) 0.40815(13) 0.0254(6) Uani 1 1 d . . . . .
C31 C 0.1075(2) 0.25095(16) 0.40362(13) 0.0259(6) Uani 1 1 d . . . . .
H31 H 0.0507 0.2718 0.3677 0.031 Uiso 1 1 calc R U . . .
C32 C 0.1401(3) 0.37770(16) 0.48239(15) 0.0324(7) Uani 1 1 d . . . . .
C33 C 0.2469(3) 0.42445(19) 0.5132(2) 0.0607(11) Uani 1 1 d . . . . .
H33A H 0.2265 0.4765 0.5274 0.091 Uiso 1 1 calc R U . . .
H33B H 0.2911 0.4308 0.4796 0.091 Uiso 1 1 calc R U . . .
H33C H 0.2914 0.3960 0.5524 0.091 Uiso 1 1 calc R U . . .
C34 C 0.0763(3) 0.36571(18) 0.53720(16) 0.0425(8) Uani 1 1 d . . . . .
H34A H 0.0577 0.4172 0.5535 0.064 Uiso 1 1 calc R U . . .
H34B H 0.1234 0.3360 0.5748 0.064 Uiso 1 1 calc R U . . .
H34C H 0.0070 0.3362 0.5185 0.064 Uiso 1 1 calc R U . . .
C35 C 0.0685(4) 0.4237(2) 0.42361(19) 0.0744(14) Uani 1 1 d . . . . .
H35A H 0.0545 0.4768 0.4388 0.112 Uiso 1 1 calc R U . . .
H35B H -0.0031 0.3964 0.4067 0.112 Uiso 1 1 calc R U . . .
H35C H 0.1082 0.4277 0.3875 0.112 Uiso 1 1 calc R U . . .
C36 C 0.3070(2) 0.09748(16) 0.50538(15) 0.0303(6) Uani 1 1 d . . . . .
C37 C 0.2445(3) 0.06460(19) 0.55616(16) 0.0440(8) Uani 1 1 d . . . . .
H37A H 0.2891 0.0224 0.5826 0.066 Uiso 1 1 calc R U . . .
H37B H 0.1715 0.0436 0.5318 0.066 Uiso 1 1 calc R U . . .
H37C H 0.2330 0.1069 0.5865 0.066 Uiso 1 1 calc R U . . .
C38 C 0.4210(3) 0.1280(2) 0.54502(19) 0.0507(9) Uani 1 1 d . . . . .
H38A H 0.4663 0.0838 0.5678 0.076 Uiso 1 1 calc R U . . .
H38B H 0.4100 0.1664 0.5787 0.076 Uiso 1 1 calc R U . . .
H38C H 0.4599 0.1534 0.5140 0.076 Uiso 1 1 calc R U . . .
C39 C 0.3333(3) 0.03037(18) 0.46118(18) 0.0480(9) Uani 1 1 d . . . . .
H39A H 0.3828 -0.0081 0.4896 0.072 Uiso 1 1 calc R U . . .
H39B H 0.3707 0.0520 0.4278 0.072 Uiso 1 1 calc R U . . .
H39C H 0.2632 0.0044 0.4379 0.072 Uiso 1 1 calc R U . . .
C40 C 0.0740(3) 0.10567(18) 0.36297(15) 0.0361(7) Uani 1 1 d . . . . .
C41 C 0.0355(3) 0.0425(2) 0.40694(18) 0.0493(9) Uani 1 1 d . . . . .
H41A H 0.0011 0.0684 0.4399 0.074 Uiso 1 1 calc R U . . .
H41B H 0.1004 0.0114 0.4307 0.074 Uiso 1 1 calc R U . . .
H41C H -0.0197 0.0076 0.3781 0.074 Uiso 1 1 calc R U . . .
C42 C 0.1370(3) 0.0670(2) 0.31468(17) 0.0477(9) Uani 1 1 d . . . . .
H42A H 0.2087 0.0456 0.3407 0.072 Uiso 1 1 calc R U . . .
H42B H 0.1512 0.1066 0.2828 0.072 Uiso 1 1 calc R U . . .
H42C H 0.0912 0.0242 0.2898 0.072 Uiso 1 1 calc R U . . .
C43 C -0.0354(3) 0.1406(2) 0.31934(17) 0.0516(9) Uani 1 1 d . . . . .
H43A H -0.0796 0.1635 0.3486 0.077 Uiso 1 1 calc R U . . .
H43B H -0.0790 0.0989 0.2916 0.077 Uiso 1 1 calc R U . . .
H43C H -0.0174 0.1818 0.2900 0.077 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 2.059(2) . ?
Ru1 N2 2.082(2) . ?
Ru1 C9 2.173(3) . ?
Ru1 C11 2.180(3) . ?
Ru1 C12 2.200(3) . ?
Ru1 C14 2.210(2) . ?
Ru1 C13 2.237(2) . ?
Ru1 C10 2.253(3) . ?
Ru1 Ru2 2.8455(3) . ?
Ru2 C9 1.944(3) . ?
Ru2 N1 2.062(2) . ?
Ru2 C1 2.173(3) . ?
Ru2 C27 2.188(3) . ?
Ru2 C28 2.196(2) . ?
Ru2 C31 2.222(3) . ?
Ru2 C29 2.345(2) . ?
Ru2 C30 2.416(3) . ?
O1 C9 1.179(3) . ?
N1 C1 1.431(3) . ?
N1 C4 1.475(3) . ?
N2 C5 1.286(4) . ?
N2 C8 1.468(4) . ?
C1 C5 1.440(4) . ?
C1 C2 1.520(4) . ?
C2 C3 1.530(5) . ?
C2 H2A 1.04(3) . ?
C2 H2B 0.92(3) . ?
C3 C4 1.523(4) . ?
C3 H3A 0.98(3) . ?
C3 H3B 0.89(4) . ?
C4 H4A 1.03(3) . ?
C4 H4B 1.00(3) . ?
C5 C6 1.511(4) . ?
C6 C7 1.527(6) . ?
C6 H6A 0.99(4) . ?
C6 H6B 0.97(4) . ?
C7 C8 1.518(5) . ?
C7 H7A 1.13(4) . ?
C7 H7B 0.85(4) . ?
C8 H8A 0.97(3) . ?
C8 H8B 1.03(4) . ?
C10 C11 1.408(4) . ?
C10 C14 1.427(4) . ?
C10 C15 1.527(4) . ?
C11 C12 1.441(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.466(3) . ?
C12 C19 1.533(4) . ?
C13 C14 1.430(3) . ?
C13 C23 1.544(3) . ?
C14 H14 0.9500 . ?
C15 C18 1.524(4) . ?
C15 C16 1.533(4) . ?
C15 C17 1.542(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C22 1.530(4) . ?
C19 C20 1.537(4) . ?
C19 C21 1.545(4) . ?
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 C25 1.532(3) . ?
C23 C26 1.540(4) . ?
C23 C24 1.543(4) . ?
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 C28 1.412(4) . ?
C27 C31 1.426(4) . ?
C27 C32 1.522(4) . ?
C28 C29 1.447(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.444(4) . ?
C29 C36 1.541(4) . ?
C30 C31 1.435(4) . ?
C30 C40 1.544(4) . ?
C31 H31 0.9500 . ?
C32 C35 1.519(4) . ?
C32 C34 1.528(4) . ?
C32 C33 1.529(5) . ?
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 C38 1.526(4) . ?
C36 C39 1.535(4) . ?
C36 C37 1.537(4) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C43 1.539(5) . ?
C40 C42 1.540(4) . ?
C40 C41 1.544(4) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 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 78.37(9) . . ?
N1 Ru1 C9 86.35(9) . . ?
N2 Ru1 C9 74.49(9) . . ?
N1 Ru1 C11 151.57(9) . . ?
N2 Ru1 C11 95.35(10) . . ?
C9 Ru1 C11 119.00(10) . . ?
N1 Ru1 C12 116.23(9) . . ?
N2 Ru1 C12 105.78(9) . . ?
C9 Ru1 C12 157.22(10) . . ?
C11 Ru1 C12 38.41(9) . . ?
N1 Ru1 C14 126.65(9) . . ?
N2 Ru1 C14 154.88(10) . . ?
C9 Ru1 C14 106.28(9) . . ?
C11 Ru1 C14 61.79(10) . . ?
C12 Ru1 C14 63.61(9) . . ?
N1 Ru1 C13 106.04(9) . . ?
N2 Ru1 C13 142.95(9) . . ?
C9 Ru1 C13 141.62(9) . . ?
C11 Ru1 C13 62.96(9) . . ?
C12 Ru1 C13 38.56(9) . . ?
C14 Ru1 C13 37.50(9) . . ?
N1 Ru1 C10 163.50(9) . . ?
N2 Ru1 C10 117.91(10) . . ?
C9 Ru1 C10 95.26(10) . . ?
C11 Ru1 C10 37.00(10) . . ?
C12 Ru1 C10 64.04(9) . . ?
C14 Ru1 C10 37.29(9) . . ?
C13 Ru1 C10 63.15(9) . . ?
N1 Ru1 Ru2 46.38(6) . . ?
N2 Ru1 Ru2 84.08(7) . . ?
C9 Ru1 Ru2 43.03(7) . . ?
C11 Ru1 Ru2 161.51(7) . . ?
C12 Ru1 Ru2 158.82(7) . . ?
C14 Ru1 Ru2 114.08(6) . . ?
C13 Ru1 Ru2 126.16(6) . . ?
C10 Ru1 Ru2 128.28(7) . . ?
C9 Ru2 N1 92.56(10) . . ?
C9 Ru2 C1 93.48(11) . . ?
N1 Ru2 C1 39.40(9) . . ?
C9 Ru2 C27 104.68(10) . . ?
N1 Ru2 C27 146.52(9) . . ?
C1 Ru2 C27 109.85(10) . . ?
C9 Ru2 C28 86.04(10) . . ?
N1 Ru2 C28 175.81(9) . . ?
C1 Ru2 C28 144.58(9) . . ?
C27 Ru2 C28 37.59(9) . . ?
C9 Ru2 C31 142.22(10) . . ?
N1 Ru2 C31 121.49(9) . . ?
C1 Ru2 C31 102.83(10) . . ?
C27 Ru2 C31 37.72(10) . . ?
C28 Ru2 C31 61.08(10) . . ?
C9 Ru2 C29 104.92(10) . . ?
N1 Ru2 C29 140.27(9) . . ?
C1 Ru2 C29 161.30(10) . . ?
C27 Ru2 C29 62.62(9) . . ?
C28 Ru2 C29 36.97(9) . . ?
C31 Ru2 C29 60.27(9) . . ?
C9 Ru2 C30 140.17(10) . . ?
N1 Ru2 C30 119.66(9) . . ?
C1 Ru2 C30 126.16(10) . . ?
C27 Ru2 C30 61.70(9) . . ?
C28 Ru2 C30 60.07(9) . . ?
C31 Ru2 C30 35.74(9) . . ?
C29 Ru2 C30 35.28(9) . . ?
C9 Ru2 Ru1 49.70(7) . . ?
N1 Ru2 Ru1 46.28(6) . . ?
C1 Ru2 Ru1 69.01(7) . . ?
C27 Ru2 Ru1 152.96(7) . . ?
C28 Ru2 Ru1 130.96(7) . . ?
C31 Ru2 Ru1 167.55(7) . . ?
C29 Ru2 Ru1 126.01(6) . . ?
C30 Ru2 Ru1 142.07(6) . . ?
C1 N1 C4 107.9(2) . . ?
C1 N1 Ru1 110.89(17) . . ?
C4 N1 Ru1 135.49(17) . . ?
C1 N1 Ru2 74.49(14) . . ?
C4 N1 Ru2 123.96(18) . . ?
Ru1 N1 Ru2 87.34(8) . . ?
C5 N2 C8 111.6(2) . . ?
C5 N2 Ru1 114.45(19) . . ?
C8 N2 Ru1 131.6(2) . . ?
N1 C1 C5 112.9(2) . . ?
N1 C1 C2 109.7(2) . . ?
C5 C1 C2 122.2(3) . . ?
N1 C1 Ru2 66.11(13) . . ?
C5 C1 Ru2 111.42(19) . . ?
C2 C1 Ru2 120.7(2) . . ?
C1 C2 C3 102.9(2) . . ?
C1 C2 H2A 108.7(19) . . ?
C3 C2 H2A 108.3(18) . . ?
C1 C2 H2B 117(2) . . ?
C3 C2 H2B 110(2) . . ?
H2A C2 H2B 110(3) . . ?
C4 C3 C2 103.7(3) . . ?
C4 C3 H3A 109(2) . . ?
C2 C3 H3A 113(2) . . ?
C4 C3 H3B 113(2) . . ?
C2 C3 H3B 111(2) . . ?
H3A C3 H3B 107(3) . . ?
N1 C4 C3 104.9(2) . . ?
N1 C4 H4A 107.9(17) . . ?
C3 C4 H4A 119.2(17) . . ?
N1 C4 H4B 106.3(18) . . ?
C3 C4 H4B 109.6(18) . . ?
H4A C4 H4B 108(2) . . ?
N2 C5 C1 117.9(2) . . ?
N2 C5 C6 113.3(3) . . ?
C1 C5 C6 128.7(3) . . ?
C5 C6 C7 102.7(3) . . ?
C5 C6 H6A 114(2) . . ?
C7 C6 H6A 105(2) . . ?
C5 C6 H6B 113(2) . . ?
C7 C6 H6B 113(2) . . ?
H6A C6 H6B 108(3) . . ?
C8 C7 C6 105.8(3) . . ?
C8 C7 H7A 95(2) . . ?
C6 C7 H7A 109(2) . . ?
C8 C7 H7B 116(3) . . ?
C6 C7 H7B 118(3) . . ?
H7A C7 H7B 110(4) . . ?
N2 C8 C7 105.4(3) . . ?
N2 C8 H8A 113(2) . . ?
C7 C8 H8A 115(2) . . ?
N2 C8 H8B 103(2) . . ?
C7 C8 H8B 111.3(19) . . ?
H8A C8 H8B 108(3) . . ?
O1 C9 Ru2 143.2(2) . . ?
O1 C9 Ru1 129.5(2) . . ?
Ru2 C9 Ru1 87.27(10) . . ?
C11 C10 C14 105.3(2) . . ?
C11 C10 C15 124.8(2) . . ?
C14 C10 C15 127.9(2) . . ?
C11 C10 Ru1 68.66(15) . . ?
C14 C10 Ru1 69.71(14) . . ?
C15 C10 Ru1 138.08(19) . . ?
C10 C11 C12 112.0(2) . . ?
C10 C11 Ru1 74.35(15) . . ?
C12 C11 Ru1 71.57(14) . . ?
C10 C11 H11 124.0 . . ?
C12 C11 H11 124.0 . . ?
Ru1 C11 H11 121.6 . . ?
C11 C12 C13 105.1(2) . . ?
C11 C12 C19 120.9(2) . . ?
C13 C12 C19 133.3(2) . . ?
C11 C12 Ru1 70.02(14) . . ?
C13 C12 Ru1 72.09(14) . . ?
C19 C12 Ru1 128.88(19) . . ?
C14 C13 C12 106.8(2) . . ?
C14 C13 C23 117.9(2) . . ?
C12 C13 C23 134.0(2) . . ?
C14 C13 Ru1 70.22(14) . . ?
C12 C13 Ru1 69.35(14) . . ?
C23 C13 Ru1 134.89(17) . . ?
C10 C14 C13 110.8(2) . . ?
C10 C14 Ru1 73.00(15) . . ?
C13 C14 Ru1 72.28(14) . . ?
C10 C14 H14 124.6 . . ?
C13 C14 H14 124.6 . . ?
Ru1 C14 H14 121.7 . . ?
C18 C15 C10 112.9(2) . . ?
C18 C15 C16 109.1(2) . . ?
C10 C15 C16 111.0(2) . . ?
C18 C15 C17 108.3(3) . . ?
C10 C15 C17 105.1(2) . . ?
C16 C15 C17 110.3(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 C19 C12 113.9(2) . . ?
C22 C19 C20 111.4(2) . . ?
C12 C19 C20 109.3(2) . . ?
C22 C19 C21 105.8(2) . . ?
C12 C19 C21 110.2(2) . . ?
C20 C19 C21 105.9(2) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C26 106.7(2) . . ?
C25 C23 C24 107.7(2) . . ?
C26 C23 C24 108.5(2) . . ?
C25 C23 C13 117.5(2) . . ?
C26 C23 C13 109.3(2) . . ?
C24 C23 C13 106.9(2) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C31 104.6(2) . . ?
C28 C27 C32 126.1(3) . . ?
C31 C27 C32 128.5(2) . . ?
C28 C27 Ru2 71.52(14) . . ?
C31 C27 Ru2 72.43(15) . . ?
C32 C27 Ru2 128.25(19) . . ?
C27 C28 C29 111.2(2) . . ?
C27 C28 Ru2 70.89(14) . . ?
C29 C28 Ru2 77.13(14) . . ?
C27 C28 H28 124.4 . . ?
C29 C28 H28 124.4 . . ?
Ru2 C28 H28 119.1 . . ?
C30 C29 C28 106.5(2) . . ?
C30 C29 C36 134.1(2) . . ?
C28 C29 C36 118.5(2) . . ?
C30 C29 Ru2 75.01(14) . . ?
C28 C29 Ru2 65.90(13) . . ?
C36 C29 Ru2 130.82(17) . . ?
C31 C30 C29 105.7(2) . . ?
C31 C30 C40 121.5(2) . . ?
C29 C30 C40 132.1(2) . . ?
C31 C30 Ru2 64.75(14) . . ?
C29 C30 Ru2 69.70(14) . . ?
C40 C30 Ru2 136.59(18) . . ?
C27 C31 C30 111.8(2) . . ?
C27 C31 Ru2 69.85(15) . . ?
C30 C31 Ru2 79.51(15) . . ?
C27 C31 H31 124.1 . . ?
C30 C31 H31 124.1 . . ?
Ru2 C31 H31 118.0 . . ?
C35 C32 C27 110.7(3) . . ?
C35 C32 C34 110.3(3) . . ?
C27 C32 C34 107.1(2) . . ?
C35 C32 C33 109.4(3) . . ?
C27 C32 C33 111.3(2) . . ?
C34 C32 C33 107.9(3) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C36 C39 105.5(3) . . ?
C38 C36 C37 107.9(3) . . ?
C39 C36 C37 109.8(2) . . ?
C38 C36 C29 110.0(2) . . ?
C39 C36 C29 115.1(2) . . ?
C37 C36 C29 108.2(2) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C43 C40 C42 107.2(3) . . ?
C43 C40 C30 110.5(3) . . ?
C42 C40 C30 113.3(2) . . ?
C43 C40 C41 104.9(3) . . ?
C42 C40 C41 110.5(3) . . ?
C30 C40 C41 110.1(2) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 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
C4 N1 C1 C5 -134.4(2) . . . . ?
Ru1 N1 C1 C5 23.3(3) . . . . ?
Ru2 N1 C1 C5 104.3(2) . . . . ?
C4 N1 C1 C2 5.5(3) . . . . ?
Ru1 N1 C1 C2 163.30(19) . . . . ?
Ru2 N1 C1 C2 -115.8(2) . . . . ?
C4 N1 C1 Ru2 121.30(19) . . . . ?
Ru1 N1 C1 Ru2 -80.95(11) . . . . ?
N1 C1 C2 C3 15.1(3) . . . . ?
C5 C1 C2 C3 150.7(3) . . . . ?
Ru2 C1 C2 C3 -58.2(3) . . . . ?
C1 C2 C3 C4 -28.9(3) . . . . ?
C1 N1 C4 C3 -24.2(3) . . . . ?
Ru1 N1 C4 C3 -173.9(2) . . . . ?
Ru2 N1 C4 C3 58.9(3) . . . . ?
C2 C3 C4 N1 33.1(3) . . . . ?
C8 N2 C5 C1 -171.8(3) . . . . ?
Ru1 N2 C5 C1 -7.2(3) . . . . ?
C8 N2 C5 C6 5.5(4) . . . . ?
Ru1 N2 C5 C6 170.12(19) . . . . ?
N1 C1 C5 N2 -11.0(4) . . . . ?
C2 C1 C5 N2 -145.3(3) . . . . ?
Ru2 C1 C5 N2 61.2(3) . . . . ?
N1 C1 C5 C6 172.2(3) . . . . ?
C2 C1 C5 C6 37.9(4) . . . . ?
Ru2 C1 C5 C6 -115.7(3) . . . . ?
N2 C5 C6 C7 1.7(4) . . . . ?
C1 C5 C6 C7 178.6(3) . . . . ?
C5 C6 C7 C8 -7.7(4) . . . . ?
C5 N2 C8 C7 -10.4(4) . . . . ?
Ru1 N2 C8 C7 -171.5(3) . . . . ?
C6 C7 C8 N2 10.8(4) . . . . ?
C14 C10 C11 C12 -1.7(3) . . . . ?
C15 C10 C11 C12 163.3(2) . . . . ?
Ru1 C10 C11 C12 -62.15(19) . . . . ?
C14 C10 C11 Ru1 60.48(17) . . . . ?
C15 C10 C11 Ru1 -134.5(3) . . . . ?
C10 C11 C12 C13 -0.3(3) . . . . ?
Ru1 C11 C12 C13 -64.10(17) . . . . ?
C10 C11 C12 C19 -172.1(2) . . . . ?
Ru1 C11 C12 C19 124.1(2) . . . . ?
C10 C11 C12 Ru1 63.82(19) . . . . ?
C11 C12 C13 C14 2.1(3) . . . . ?
C19 C12 C13 C14 172.4(3) . . . . ?
Ru1 C12 C13 C14 -60.56(17) . . . . ?
C11 C12 C13 C23 -164.1(3) . . . . ?
C19 C12 C13 C23 6.2(5) . . . . ?
Ru1 C12 C13 C23 133.2(3) . . . . ?
C11 C12 C13 Ru1 62.68(17) . . . . ?
C19 C12 C13 Ru1 -127.0(3) . . . . ?
C11 C10 C14 C13 3.1(3) . . . . ?
C15 C10 C14 C13 -161.3(3) . . . . ?
Ru1 C10 C14 C13 62.85(18) . . . . ?
C11 C10 C14 Ru1 -59.78(18) . . . . ?
C15 C10 C14 Ru1 135.8(3) . . . . ?
C12 C13 C14 C10 -3.3(3) . . . . ?
C23 C13 C14 C10 165.5(2) . . . . ?
Ru1 C13 C14 C10 -63.29(18) . . . . ?
C12 C13 C14 Ru1 60.00(17) . . . . ?
C23 C13 C14 Ru1 -131.2(2) . . . . ?
C11 C10 C15 C18 159.1(3) . . . . ?
C14 C10 C15 C18 -39.4(4) . . . . ?
Ru1 C10 C15 C18 62.7(4) . . . . ?
C11 C10 C15 C16 36.2(4) . . . . ?
C14 C10 C15 C16 -162.3(3) . . . . ?
Ru1 C10 C15 C16 -60.2(4) . . . . ?
C11 C10 C15 C17 -83.1(3) . . . . ?
C14 C10 C15 C17 78.5(3) . . . . ?
Ru1 C10 C15 C17 -179.5(2) . . . . ?
C11 C12 C19 C22 -126.8(3) . . . . ?
C13 C12 C19 C22 64.2(4) . . . . ?
Ru1 C12 C19 C22 -38.4(3) . . . . ?
C11 C12 C19 C20 107.9(3) . . . . ?
C13 C12 C19 C20 -61.2(4) . . . . ?
Ru1 C12 C19 C20 -163.71(19) . . . . ?
C11 C12 C19 C21 -8.1(4) . . . . ?
C13 C12 C19 C21 -177.1(3) . . . . ?
Ru1 C12 C19 C21 80.3(3) . . . . ?
C14 C13 C23 C25 160.4(2) . . . . ?
C12 C13 C23 C25 -34.5(4) . . . . ?
Ru1 C13 C23 C25 71.2(3) . . . . ?
C14 C13 C23 C26 38.7(3) . . . . ?
C12 C13 C23 C26 -156.2(3) . . . . ?
Ru1 C13 C23 C26 -50.6(3) . . . . ?
C14 C13 C23 C24 -78.5(3) . . . . ?
C12 C13 C23 C24 86.5(3) . . . . ?
Ru1 C13 C23 C24 -167.8(2) . . . . ?
C31 C27 C28 C29 -1.8(3) . . . . ?
C32 C27 C28 C29 168.5(2) . . . . ?
Ru2 C27 C28 C29 -67.20(18) . . . . ?
C31 C27 C28 Ru2 65.44(17) . . . . ?
C32 C27 C28 Ru2 -124.3(3) . . . . ?
C27 C28 C29 C30 -1.4(3) . . . . ?
Ru2 C28 C29 C30 -64.69(18) . . . . ?
C27 C28 C29 C36 -171.8(2) . . . . ?
Ru2 C28 C29 C36 124.9(2) . . . . ?
C27 C28 C29 Ru2 63.32(18) . . . . ?
C28 C29 C30 C31 3.9(3) . . . . ?
C36 C29 C30 C31 172.2(3) . . . . ?
Ru2 C29 C30 C31 -54.79(17) . . . . ?
C28 C29 C30 C40 -166.1(3) . . . . ?
C36 C29 C30 C40 2.2(5) . . . . ?
Ru2 C29 C30 C40 135.2(3) . . . . ?
C28 C29 C30 Ru2 58.67(16) . . . . ?
C36 C29 C30 Ru2 -133.1(3) . . . . ?
C28 C27 C31 C30 4.4(3) . . . . ?
C32 C27 C31 C30 -165.5(3) . . . . ?
Ru2 C27 C31 C30 69.17(19) . . . . ?
C28 C27 C31 Ru2 -64.80(17) . . . . ?
C32 C27 C31 Ru2 125.3(3) . . . . ?
C29 C30 C31 C27 -5.2(3) . . . . ?
C40 C30 C31 C27 166.1(2) . . . . ?
Ru2 C30 C31 C27 -63.17(19) . . . . ?
C29 C30 C31 Ru2 57.92(17) . . . . ?
C40 C30 C31 Ru2 -130.8(2) . . . . ?
C28 C27 C32 C35 167.7(3) . . . . ?
C31 C27 C32 C35 -24.5(4) . . . . ?
Ru2 C27 C32 C35 73.3(4) . . . . ?
C28 C27 C32 C34 -72.0(4) . . . . ?
C31 C27 C32 C34 95.9(3) . . . . ?
Ru2 C27 C32 C34 -166.3(2) . . . . ?
C28 C27 C32 C33 45.7(4) . . . . ?
C31 C27 C32 C33 -146.4(3) . . . . ?
Ru2 C27 C32 C33 -48.6(4) . . . . ?
C30 C29 C36 C38 158.2(3) . . . . ?
C28 C29 C36 C38 -34.6(3) . . . . ?
Ru2 C29 C36 C38 47.1(3) . . . . ?
C30 C29 C36 C39 39.2(4) . . . . ?
C28 C29 C36 C39 -153.6(3) . . . . ?
Ru2 C29 C36 C39 -71.9(3) . . . . ?
C30 C29 C36 C37 -84.1(4) . . . . ?
C28 C29 C36 C37 83.1(3) . . . . ?
Ru2 C29 C36 C37 164.8(2) . . . . ?
C31 C30 C40 C43 -3.6(4) . . . . ?
C29 C30 C40 C43 165.1(3) . . . . ?
Ru2 C30 C40 C43 -89.0(3) . . . . ?
C31 C30 C40 C42 116.7(3) . . . . ?
C29 C30 C40 C42 -74.6(4) . . . . ?
Ru2 C30 C40 C42 31.3(4) . . . . ?
C31 C30 C40 C41 -119.0(3) . . . . ?
C29 C30 C40 C41 49.7(4) . . . . ?
Ru2 C30 C40 C41 155.6(2) . . . . ?

_refine_diff_density_max         1.180
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.085

####################################################################### 
# 
# 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 2296345'
loop_
_audit_author_name
_audit_author_address
'Toshiro Takao'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-10-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H78 N2 Ru2'
_chemical_formula_weight         861.24

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                   14.6002(9)
_cell_length_b                   16.8492(11)
_cell_length_c                   18.1756(10)
_cell_angle_alpha                90
_cell_angle_beta                 99.985(2)
_cell_angle_gamma                90
_cell_volume                     4403.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    22245
_cell_measurement_theta_min      3.125
_cell_measurement_theta_max      27.478

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_F_000             1824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.274
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.115
_exptl_absorpt_coefficient_mu    0.717
_shelx_estimated_absorpt_T_min   0.828
_shelx_estimated_absorpt_T_max   0.922
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.8612
_exptl_absorpt_correction_T_max  1.0000
_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            21769
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_av_R_equivalents  0.0826
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.125
_diffrn_reflns_theta_max         27.478
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             5033
_reflns_number_gt                3623
_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-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0513P)²+22.0999P] 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         5033
_refine_ls_number_parameters     275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1503
_refine_ls_wR_factor_gt          0.1131
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.58824(2) 0.72280(2) 0.72271(2) 0.02904(15) Uani 1 1 d . . . . .
N1 N 0.5421(3) 0.6655(2) 0.8146(2) 0.0355(9) Uani 1 1 d . . . . .
C1 C 0.4843(6) 0.6090(5) 0.8018(5) 0.0296(19) Uiso 0.5 1 d . . P A -1
C2 C 0.4687(7) 0.5481(6) 0.8602(5) 0.037(2) Uani 0.5 1 d . . P A -1
H2A H 0.412093 0.517169 0.840671 0.045 Uiso 0.5 1 calc R U P A -1
H2B H 0.457448 0.576474 0.905507 0.045 Uiso 0.5 1 calc R U P A -1
C3 C 0.5504(11) 0.4905(10) 0.8822(10) 0.046(4) Uani 0.5 1 d . . P A -1
H3A H 0.576234 0.475870 0.837136 0.056 Uiso 0.5 1 calc R U P A -1
H3B H 0.527773 0.441417 0.903044 0.056 Uiso 0.5 1 calc R U P A -1
C4 C 0.6260(11) 0.5273(11) 0.9393(13) 0.041(4) Uani 0.5 1 d . . P A -1
H4A H 0.599063 0.542636 0.983611 0.050 Uiso 0.5 1 calc R U P A -1
H4B H 0.674451 0.486842 0.955452 0.050 Uiso 0.5 1 calc R U P A -1
C5 C 0.6706(7) 0.5980(7) 0.9123(6) 0.043(2) Uani 0.5 1 d . . P A -1
H5A H 0.695816 0.584505 0.866725 0.051 Uiso 0.5 1 calc R U P A -1
H5B H 0.722679 0.616148 0.951021 0.051 Uiso 0.5 1 calc R U P A -1
C6 C 0.5917(5) 0.6693(3) 0.8938(3) 0.0565(16) Uani 1 1 d . . . . .
H6A H 0.545947 0.664162 0.927793 0.068 Uiso 1 1 calc R U . A .
H6B H 0.622570 0.721527 0.902970 0.068 Uiso 1 1 calc R U . . .
C7 C 0.4363(6) 0.6049(5) 0.7269(5) 0.0251(17) Uani 0.5 1 d . . P A -1
C8 C 0.3718(7) 0.5439(6) 0.6910(5) 0.035(2) Uani 0.5 1 d . . P A -1
H8A H 0.315907 0.570129 0.662840 0.042 Uiso 0.5 1 calc R U P A -1
H8B H 0.351756 0.510580 0.730211 0.042 Uiso 0.5 1 calc R U P A -1
C9 C 0.4148(12) 0.4898(11) 0.6372(11) 0.053(4) Uani 0.5 1 d . . P A -1
H9A H 0.480627 0.479164 0.659035 0.064 Uiso 0.5 1 calc R U P A -1
H9B H 0.381567 0.438310 0.632441 0.064 Uiso 0.5 1 calc R U P A -1
C10 C 0.4107(13) 0.5248(16) 0.5607(16) 0.068(7) Uani 0.5 1 d . . P A -1
H10A H 0.344473 0.530993 0.537635 0.082 Uiso 0.5 1 calc R U P A -1
H10B H 0.438785 0.486473 0.529846 0.082 Uiso 0.5 1 calc R U P A -1
C11 C 0.4595(8) 0.6057(6) 0.5574(6) 0.046(3) Uani 0.5 1 d . . P A -1
C12 C 0.6158(3) 0.8257(3) 0.6530(2) 0.0314(10) Uani 1 1 d . . . . .
C13 C 0.6615(3) 0.8366(3) 0.7273(2) 0.0306(10) Uani 1 1 d . . . . .
H13 H 0.649438 0.879152 0.758479 0.037 Uiso 1 1 calc R U . . .
C14 C 0.7287(3) 0.7751(3) 0.7498(3) 0.0319(10) Uani 1 1 d . . . . .
C15 C 0.7223(3) 0.7212(3) 0.6861(3) 0.0337(11) Uani 1 1 d . . . . .
C16 C 0.6536(3) 0.7540(3) 0.6284(3) 0.0348(11) Uani 1 1 d . . . . .
H16 H 0.635596 0.731244 0.580215 0.042 Uiso 1 1 calc R U . . .
C17 C 0.5600(4) 0.8869(3) 0.6038(3) 0.0452(13) Uani 1 1 d . . . . .
C18 C 0.6306(5) 0.9472(4) 0.5833(4) 0.0646(18) Uani 1 1 d . . . . .
H18A H 0.597698 0.988544 0.551259 0.097 Uiso 1 1 calc R U . . .
H18B H 0.674412 0.919965 0.556684 0.097 Uiso 1 1 calc R U . . .
H18C H 0.664796 0.971329 0.629016 0.097 Uiso 1 1 calc R U . . .
C19 C 0.4939(5) 0.9308(4) 0.6448(4) 0.074(2) Uani 1 1 d . . . . .
H19A H 0.454941 0.966630 0.610104 0.111 Uiso 1 1 calc R U . . .
H19B H 0.529530 0.961739 0.685684 0.111 Uiso 1 1 calc R U . . .
H19C H 0.454272 0.892606 0.665177 0.111 Uiso 1 1 calc R U . . .
C20 C 0.5064(6) 0.8513(4) 0.5316(4) 0.087(3) Uani 1 1 d . . . . .
H20A H 0.481427 0.894088 0.497465 0.130 Uiso 1 1 calc R U . . .
H20B H 0.455066 0.818681 0.543099 0.130 Uiso 1 1 calc R U . . .
H20C H 0.548311 0.818184 0.508017 0.130 Uiso 1 1 calc R U . . .
C21 C 0.8024(4) 0.7887(3) 0.8204(3) 0.0465(13) Uani 1 1 d . . . . .
C22 C 0.8795(5) 0.8395(5) 0.7966(5) 0.089(3) Uani 1 1 d . . . . .
H22A H 0.907475 0.810595 0.759191 0.133 Uiso 1 1 calc R U . . .
H22B H 0.927345 0.850674 0.840221 0.133 Uiso 1 1 calc R U . . .
H22C H 0.853046 0.889482 0.775070 0.133 Uiso 1 1 calc R U . . .
C23 C 0.7602(6) 0.8373(6) 0.8778(4) 0.093(3) Uani 1 1 d . . . . .
H23A H 0.703600 0.811085 0.887667 0.139 Uiso 1 1 calc R U . . .
H23B H 0.744763 0.890677 0.858074 0.139 Uiso 1 1 calc R U . . .
H23C H 0.805245 0.841136 0.924411 0.139 Uiso 1 1 calc R U . . .
C24 C 0.8470(5) 0.7149(4) 0.8597(4) 0.0656(19) Uani 1 1 d . . . . .
H24A H 0.882642 0.687059 0.826679 0.098 Uiso 1 1 calc R U . . .
H24B H 0.798340 0.679741 0.872020 0.098 Uiso 1 1 calc R U . . .
H24C H 0.888587 0.730453 0.905688 0.098 Uiso 1 1 calc R U . . .
C25 C 0.7847(4) 0.6533(4) 0.6685(4) 0.0605(17) Uani 1 1 d . . . . .
C26 C 0.8832(5) 0.6820(7) 0.6678(5) 0.111(4) Uani 1 1 d . . . . .
H26A H 0.918586 0.640075 0.648045 0.166 Uiso 1 1 calc R U . . .
H26B H 0.913150 0.695336 0.718770 0.166 Uiso 1 1 calc R U . . .
H26C H 0.881271 0.729256 0.636050 0.166 Uiso 1 1 calc R U . . .
C27 C 0.7867(7) 0.5815(5) 0.7211(6) 0.110(3) Uani 1 1 d . . . . .
H27A H 0.819316 0.537306 0.701923 0.165 Uiso 1 1 calc R U . . .
H27B H 0.722891 0.565429 0.723901 0.165 Uiso 1 1 calc R U . . .
H27C H 0.819204 0.596043 0.771100 0.165 Uiso 1 1 calc R U . . .
C28 C 0.7483(6) 0.6196(6) 0.5902(5) 0.109(4) Uani 1 1 d . . . . .
H28A H 0.787682 0.575117 0.580241 0.164 Uiso 1 1 calc R U . . .
H28B H 0.749912 0.661160 0.552677 0.164 Uiso 1 1 calc R U . . .
H28C H 0.684265 0.601082 0.587732 0.164 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 2.137(4) 2_656 ?
Ru1 N1 2.137(4) . ?
Ru1 C16 2.167(5) . ?
Ru1 C15 2.174(4) . ?
Ru1 C13 2.190(4) . ?
Ru1 C14 2.209(4) . ?
Ru1 C12 2.225(4) . ?
Ru1 Ru1 2.9173(7) 2_656 ?
N1 C1 1.267(10) . ?
N1 C6 1.496(6) . ?
C1 C7 1.421(12) . ?
C1 C2 1.521(12) . ?
C2 C3 1.536(18) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.51(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.48(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.658(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.468(12) . ?
C8 C9 1.548(17) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.50(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.54(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C12 C13 1.410(6) . ?
C12 C16 1.433(7) . ?
C12 C17 1.507(7) . ?
C13 C14 1.436(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.463(7) . ?
C14 C21 1.542(7) . ?
C15 C16 1.430(7) . ?
C15 C25 1.530(7) . ?
C16 H16 0.9500 . ?
C17 C19 1.511(8) . ?
C17 C20 1.529(8) . ?
C17 C18 1.539(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 C24 1.523(8) . ?
C21 C22 1.535(9) . ?
C21 C23 1.537(9) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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 C26 1.518(10) . ?
C25 C28 1.539(9) . ?
C25 C27 1.541(11) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

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 70.12(18) 2_656 . ?
N1 Ru1 C16 110.41(17) 2_656 . ?
N1 Ru1 C16 165.93(18) . . ?
N1 Ru1 C15 134.16(17) 2_656 . ?
N1 Ru1 C15 131.01(17) . . ?
C16 Ru1 C15 38.48(18) . . ?
N1 Ru1 C13 144.08(16) 2_656 . ?
N1 Ru1 C13 125.73(16) . . ?
C16 Ru1 C13 62.51(18) . . ?
C15 Ru1 C13 64.08(18) . . ?
N1 Ru1 C14 173.13(16) 2_656 . ?
N1 Ru1 C14 114.37(16) . . ?
C16 Ru1 C14 63.89(18) . . ?
C15 Ru1 C14 38.98(18) . . ?
C13 Ru1 C14 38.11(17) . . ?
N1 Ru1 C12 114.21(16) 2_656 . ?
N1 Ru1 C12 155.46(17) . . ?
C16 Ru1 C12 38.07(18) . . ?
C15 Ru1 C12 64.82(18) . . ?
C13 Ru1 C12 37.25(16) . . ?
C14 Ru1 C12 64.10(17) . . ?
N1 Ru1 Ru1 46.95(10) 2_656 2_656 ?
N1 Ru1 Ru1 46.95(11) . 2_656 ?
C16 Ru1 Ru1 143.66(13) . 2_656 ?
C15 Ru1 Ru1 177.85(13) . 2_656 ?
C13 Ru1 Ru1 116.21(12) . 2_656 ?
C14 Ru1 Ru1 139.92(13) . 2_656 ?
C12 Ru1 Ru1 116.81(12) . 2_656 ?
C1 N1 C6 113.8(5) . . ?
C1 N1 Ru1 75.7(5) . 2_656 ?
C6 N1 Ru1 122.9(4) . 2_656 ?
C1 N1 Ru1 119.1(5) . . ?
C6 N1 Ru1 124.5(4) . . ?
Ru1 N1 Ru1 86.11(14) 2_656 . ?
N1 C1 C7 114.5(8) . . ?
N1 C1 C2 123.7(8) . . ?
C7 C1 C2 121.8(8) . . ?
C1 C2 C3 113.9(9) . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2B 108.8 . . ?
C3 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C2 C3 C4 111.1(14) . . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
C2 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C5 C4 C3 114.5(15) . . ?
C5 C4 H4A 108.6 . . ?
C3 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
C3 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C4 C5 C6 108.7(9) . . ?
C4 C5 H5A 110.0 . . ?
C6 C5 H5A 110.0 . . ?
C4 C5 H5B 110.0 . . ?
C6 C5 H5B 110.0 . . ?
H5A C5 H5B 108.3 . . ?
N1 C6 C5 111.7(5) . . ?
N1 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
N1 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
C1 C7 C8 129.1(8) . . ?
C7 C8 C9 113.2(9) . . ?
C7 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
C7 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C8 113.4(16) . . ?
C10 C9 H9A 108.9 . . ?
C8 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
C8 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C9 C10 C11 116.0(19) . . ?
C9 C10 H10A 108.3 . . ?
C11 C10 H10A 108.3 . . ?
C9 C10 H10B 108.3 . . ?
C11 C10 H10B 108.3 . . ?
H10A C10 H10B 107.4 . . ?
C13 C12 C16 105.3(4) . . ?
C13 C12 C17 126.6(4) . . ?
C16 C12 C17 126.1(4) . . ?
C13 C12 Ru1 70.0(3) . . ?
C16 C12 Ru1 68.8(3) . . ?
C17 C12 Ru1 137.6(3) . . ?
C12 C13 C14 111.5(4) . . ?
C12 C13 Ru1 72.7(3) . . ?
C14 C13 Ru1 71.7(3) . . ?
C12 C13 H13 124.2 . . ?
C14 C13 H13 124.2 . . ?
Ru1 C13 H13 122.9 . . ?
C13 C14 C15 106.0(4) . . ?
C13 C14 C21 118.3(4) . . ?
C15 C14 C21 133.7(4) . . ?
C13 C14 Ru1 70.2(2) . . ?
C15 C14 Ru1 69.2(2) . . ?
C21 C14 Ru1 137.0(3) . . ?
C16 C15 C14 106.3(4) . . ?
C16 C15 C25 120.1(5) . . ?
C14 C15 C25 132.2(4) . . ?
C16 C15 Ru1 70.5(3) . . ?
C14 C15 Ru1 71.8(2) . . ?
C25 C15 Ru1 132.4(4) . . ?
C15 C16 C12 110.9(4) . . ?
C15 C16 Ru1 71.0(3) . . ?
C12 C16 Ru1 73.2(3) . . ?
C15 C16 H16 124.6 . . ?
C12 C16 H16 124.6 . . ?
Ru1 C16 H16 122.8 . . ?
C12 C17 C19 111.6(4) . . ?
C12 C17 C20 112.6(5) . . ?
C19 C17 C20 109.9(6) . . ?
C12 C17 C18 106.2(5) . . ?
C19 C17 C18 108.0(6) . . ?
C20 C17 C18 108.4(5) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 C21 C22 108.2(6) . . ?
C24 C21 C23 107.8(5) . . ?
C22 C21 C23 107.2(6) . . ?
C24 C21 C14 116.7(5) . . ?
C22 C21 C14 106.7(5) . . ?
C23 C21 C14 109.9(5) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C15 111.3(6) . . ?
C26 C25 C28 106.6(6) . . ?
C15 C25 C28 110.3(5) . . ?
C26 C25 C27 109.9(7) . . ?
C15 C25 C27 113.8(6) . . ?
C28 C25 C27 104.5(7) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
C6 N1 C1 C7 179.8(6) . . . . ?
Ru1 N1 C1 C7 59.8(7) 2_656 . . . ?
Ru1 N1 C1 C7 -17.4(9) . . . . ?
C6 N1 C1 C2 -2.2(11) . . . . ?
Ru1 N1 C1 C2 -122.2(9) 2_656 . . . ?
Ru1 N1 C1 C2 160.6(7) . . . . ?
N1 C1 C2 C3 -70.1(14) . . . . ?
C7 C1 C2 C3 107.7(12) . . . . ?
C1 C2 C3 C4 81.7(15) . . . . ?
C2 C3 C4 C5 -63.6(17) . . . . ?
C3 C4 C5 C6 64.3(16) . . . . ?
C1 N1 C6 C5 73.6(8) . . . . ?
Ru1 N1 C6 C5 161.6(5) 2_656 . . . ?
Ru1 N1 C6 C5 -88.1(6) . . . . ?
C4 C5 C6 N1 -89.9(12) . . . . ?
N1 C1 C7 C8 173.8(8) . . . . ?
C2 C1 C7 C8 -4.3(14) . . . . ?
C1 C7 C8 C9 -106.2(13) . . . . ?
C7 C8 C9 C10 -83.1(17) . . . . ?
C8 C9 C10 C11 58.7(19) . . . . ?
C16 C12 C13 C14 1.4(5) . . . . ?
C17 C12 C13 C14 -163.4(4) . . . . ?
Ru1 C12 C13 C14 61.5(3) . . . . ?
C16 C12 C13 Ru1 -60.1(3) . . . . ?
C17 C12 C13 Ru1 135.1(5) . . . . ?
C12 C13 C14 C15 -1.8(5) . . . . ?
Ru1 C13 C14 C15 60.3(3) . . . . ?
C12 C13 C14 C21 164.3(4) . . . . ?
Ru1 C13 C14 C21 -133.6(4) . . . . ?
C12 C13 C14 Ru1 -62.2(3) . . . . ?
C13 C14 C15 C16 1.5(5) . . . . ?
C21 C14 C15 C16 -161.5(5) . . . . ?
Ru1 C14 C15 C16 62.4(3) . . . . ?
C13 C14 C15 C25 167.7(6) . . . . ?
C21 C14 C15 C25 4.7(9) . . . . ?
Ru1 C14 C15 C25 -131.3(6) . . . . ?
C13 C14 C15 Ru1 -61.0(3) . . . . ?
C21 C14 C15 Ru1 136.0(6) . . . . ?
C14 C15 C16 C12 -0.6(5) . . . . ?
C25 C15 C16 C12 -168.9(5) . . . . ?
Ru1 C15 C16 C12 62.7(3) . . . . ?
C14 C15 C16 Ru1 -63.3(3) . . . . ?
C25 C15 C16 Ru1 128.4(5) . . . . ?
C13 C12 C16 C15 -0.5(5) . . . . ?
C17 C12 C16 C15 164.4(5) . . . . ?
Ru1 C12 C16 C15 -61.4(3) . . . . ?
C13 C12 C16 Ru1 60.9(3) . . . . ?
C17 C12 C16 Ru1 -134.2(5) . . . . ?
C13 C12 C17 C19 -46.1(7) . . . . ?
C16 C12 C17 C19 152.2(6) . . . . ?
Ru1 C12 C17 C19 54.5(7) . . . . ?
C13 C12 C17 C20 -170.2(6) . . . . ?
C16 C12 C17 C20 28.1(8) . . . . ?
Ru1 C12 C17 C20 -69.6(7) . . . . ?
C13 C12 C17 C18 71.3(6) . . . . ?
C16 C12 C17 C18 -90.4(6) . . . . ?
Ru1 C12 C17 C18 171.9(4) . . . . ?
C13 C14 C21 C24 157.1(5) . . . . ?
C15 C14 C21 C24 -41.5(8) . . . . ?
Ru1 C14 C21 C24 66.3(7) . . . . ?
C13 C14 C21 C22 -81.9(6) . . . . ?
C15 C14 C21 C22 79.5(7) . . . . ?
Ru1 C14 C21 C22 -172.7(5) . . . . ?
C13 C14 C21 C23 34.0(7) . . . . ?
C15 C14 C21 C23 -164.6(6) . . . . ?
Ru1 C14 C21 C23 -56.8(8) . . . . ?
C16 C15 C25 C26 106.8(6) . . . . ?
C14 C15 C25 C26 -57.9(9) . . . . ?
Ru1 C15 C25 C26 -162.8(5) . . . . ?
C16 C15 C25 C28 -11.3(9) . . . . ?
C14 C15 C25 C28 -176.0(6) . . . . ?
Ru1 C15 C25 C28 79.1(8) . . . . ?
C16 C15 C25 C27 -128.5(6) . . . . ?
C14 C15 C25 C27 66.9(8) . . . . ?
Ru1 C15 C25 C27 -38.0(8) . . . . ?

_refine_diff_density_max         1.139
_refine_diff_density_min         -1.401
_refine_diff_density_rms         0.136

