# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Compound2
_database_code_depnum_ccdc_archive 'CCDC 2031922'
loop_
_audit_author_name
_audit_author_address
'Shigeki KUWATA'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-02-08 deposited with the CCDC.	2021-02-18 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_audit_creation_method           'by CrystalStructure 4.3'
_chemical_formula_sum            'C50 H54 Cl4 P2 Ru2'
_chemical_formula_moiety         'C50 H54 Cl4 P2 Ru2'
_chemical_formula_weight         1060.88
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.267(3)
_cell_length_b                   14.425(4)
_cell_length_c                   16.581(4)
_cell_angle_alpha                103.042(3)
_cell_angle_beta                 95.552(4)
_cell_angle_gamma                104.782(2)
_cell_volume                     2281.7(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7136
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080.00
_exptl_absorpt_coefficient_mu    1.001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_T_max  0.951

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            28611
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         3.020
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             10422
_reflns_number_gt                7334
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0830
_refine_ls_wR_factor_gt          0.0766
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         10422
_refine_ls_number_parameters     533
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0329P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.80
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.47212(2) 1.16028(2) 0.81538(2) 0.01021(7) Uani 1 1 d . . . . .
Ru2 Ru -0.21756(2) 0.65062(2) 0.82665(2) 0.01005(7) Uani 1 1 d . . . . .
Cl1 Cl 0.56787(8) 1.22836(6) 0.70752(5) 0.01753(17) Uani 1 1 d . . . . .
Cl2 Cl 0.38022(8) 1.28467(6) 0.88356(5) 0.01874(18) Uani 1 1 d . . . . .
Cl3 Cl -0.02766(8) 0.75115(6) 0.93103(5) 0.02020(18) Uani 1 1 d . . . . .
Cl4 Cl -0.38046(8) 0.74173(6) 0.82376(5) 0.01640(17) Uani 1 1 d . . . . .
P1 P 0.25803(8) 1.09792(6) 0.72992(5) 0.00928(16) Uani 1 1 d . . . . .
P2 P -0.12119(8) 0.74315(6) 0.73713(5) 0.00881(16) Uani 1 1 d . . . . .
C1 C 0.4921(3) 1.0174(2) 0.8389(2) 0.0168(7) Uani 1 1 d . . . . .
C2 C 0.6169(3) 1.0667(2) 0.8150(2) 0.0159(7) Uani 1 1 d . . . . .
C3 C 0.6772(3) 1.1601(2) 0.87623(19) 0.0135(7) Uani 1 1 d . . . . .
C4 C 0.5912(3) 1.1685(2) 0.93770(19) 0.0141(7) Uani 1 1 d . . . . .
C5 C 0.4747(3) 1.0811(2) 0.9139(2) 0.0152(7) Uani 1 1 d . . . . .
C6 C 0.4076(4) 0.9139(2) 0.7989(2) 0.0257(8) Uani 1 1 d . . . . .
H1 H 0.4452 0.8680 0.8226 0.039 Uiso 1 1 calc R U . . .
H2 H 0.4082 0.8988 0.7383 0.039 Uiso 1 1 calc R U . . .
H3 H 0.3137 0.9065 0.8094 0.039 Uiso 1 1 calc R U . . .
C7 C 0.6812(4) 1.0264(3) 0.7434(2) 0.0249(8) Uani 1 1 d . . . . .
H4 H 0.7650 1.0131 0.7649 0.037 Uiso 1 1 calc R U . . .
H5 H 0.7032 1.0750 0.7102 0.037 Uiso 1 1 calc R U . . .
H6 H 0.6175 0.9646 0.7078 0.037 Uiso 1 1 calc R U . . .
C8 C 0.8087(3) 1.2339(3) 0.8755(2) 0.0211(8) Uani 1 1 d . . . . .
H7 H 0.8851 1.2140 0.8993 0.032 Uiso 1 1 calc R U . . .
H8 H 0.8102 1.2996 0.9092 0.032 Uiso 1 1 calc R U . . .
H9 H 0.8170 1.2367 0.8177 0.032 Uiso 1 1 calc R U . . .
C9 C 0.6204(3) 1.2505(3) 1.0169(2) 0.0215(8) Uani 1 1 d . . . . .
H10 H 0.6568 1.3145 1.0046 0.032 Uiso 1 1 calc R U . . .
H11 H 0.6876 1.2407 1.0580 0.032 Uiso 1 1 calc R U . . .
H12 H 0.5358 1.2496 1.0400 0.032 Uiso 1 1 calc R U . . .
C10 C 0.3643(3) 1.0575(3) 0.9661(2) 0.0257(8) Uani 1 1 d . . . . .
H13 H 0.3363 1.1172 0.9879 0.038 Uiso 1 1 calc R U . . .
H14 H 0.3994 1.0350 1.0131 0.038 Uiso 1 1 calc R U . . .
H15 H 0.2856 1.0050 0.9313 0.038 Uiso 1 1 calc R U . . .
C11 C -0.2417(3) 0.4944(2) 0.7513(2) 0.0141(7) Uani 1 1 d . . . . .
C12 C -0.1568(3) 0.5146(2) 0.8303(2) 0.0161(7) Uani 1 1 d . . . . .
C13 C -0.2364(3) 0.5336(2) 0.8961(2) 0.0175(7) Uani 1 1 d . . . . .
C14 C -0.3699(3) 0.5278(2) 0.8573(2) 0.0154(7) Uani 1 1 d . . . . .
C15 C -0.3734(3) 0.5037(2) 0.7675(2) 0.0134(7) Uani 1 1 d . . . . .
C16 C -0.2055(3) 0.4575(2) 0.6665(2) 0.0187(7) Uani 1 1 d . . . . .
H16 H -0.2252 0.3850 0.6530 0.028 Uiso 1 1 calc R U . . .
H17 H -0.1081 0.4873 0.6674 0.028 Uiso 1 1 calc R U . . .
H18 H -0.2595 0.4759 0.6240 0.028 Uiso 1 1 calc R U . . .
C17 C -0.0129(3) 0.5088(3) 0.8448(2) 0.0245(8) Uani 1 1 d . . . . .
H19 H 0.0282 0.5135 0.7944 0.037 Uiso 1 1 calc R U . . .
H20 H -0.0132 0.4454 0.8571 0.037 Uiso 1 1 calc R U . . .
H21 H 0.0403 0.5636 0.8924 0.037 Uiso 1 1 calc R U . . .
C18 C -0.1899(4) 0.5508(3) 0.9877(2) 0.0253(8) Uani 1 1 d . . . . .
H22 H -0.2066 0.4869 1.0019 0.038 Uiso 1 1 calc R U . . .
H23 H -0.2405 0.5913 1.0197 0.038 Uiso 1 1 calc R U . . .
H24 H -0.0920 0.5856 1.0016 0.038 Uiso 1 1 calc R U . . .
C19 C -0.4891(3) 0.5403(2) 0.8987(2) 0.0213(8) Uani 1 1 d . . . . .
H25 H -0.4572 0.5763 0.9579 0.032 Uiso 1 1 calc R U . . .
H26 H -0.5514 0.4748 0.8948 0.032 Uiso 1 1 calc R U . . .
H27 H -0.5371 0.5779 0.8706 0.032 Uiso 1 1 calc R U . . .
C20 C -0.5015(3) 0.4786(3) 0.7064(2) 0.0203(8) Uani 1 1 d . . . . .
H28 H -0.5716 0.4262 0.7193 0.031 Uiso 1 1 calc R U . . .
H29 H -0.4838 0.4554 0.6494 0.031 Uiso 1 1 calc R U . . .
H30 H -0.5334 0.5378 0.7105 0.031 Uiso 1 1 calc R U . . .
C21 C 0.1279(3) 1.0289(2) 0.77934(19) 0.0109(6) Uani 1 1 d . . . . .
C22 C 0.0647(3) 0.9271(2) 0.74726(18) 0.0102(6) Uani 1 1 d . . . . .
H31 H 0.0910 0.8923 0.6987 0.012 Uiso 1 1 calc R U . . .
C23 C -0.0360(3) 0.8752(2) 0.78451(18) 0.0099(6) Uani 1 1 d . . . . .
C24 C -0.0734(3) 0.9268(2) 0.85629(19) 0.0115(6) Uani 1 1 d . . . . .
H32 H -0.1438 0.8933 0.8815 0.014 Uiso 1 1 calc R U . . .
C25 C -0.0073(3) 1.0273(2) 0.89081(19) 0.0125(6) Uani 1 1 d . . . . .
H33 H -0.0312 1.0616 0.9406 0.015 Uiso 1 1 calc R U . . .
C26 C 0.0929(3) 1.0779(2) 0.85336(19) 0.0112(6) Uani 1 1 d . . . . .
H34 H 0.1381 1.1463 0.8781 0.013 Uiso 1 1 calc R U . . .
C27 C 0.2481(3) 1.0129(2) 0.62784(19) 0.0108(6) Uani 1 1 d . . . . .
C28 C 0.1232(3) 0.9714(2) 0.57227(19) 0.0124(6) Uani 1 1 d . . . . .
H35 H 0.0438 0.9884 0.5874 0.015 Uiso 1 1 calc R U . . .
C29 C 0.1159(3) 0.9056(2) 0.4955(2) 0.0166(7) Uani 1 1 d . . . . .
H36 H 0.0310 0.8769 0.4588 0.020 Uiso 1 1 calc R U . . .
C30 C 0.2319(3) 0.8813(2) 0.4720(2) 0.0192(7) Uani 1 1 d . . . . .
H37 H 0.2266 0.8364 0.4193 0.023 Uiso 1 1 calc R U . . .
C31 C 0.3559(3) 0.9236(2) 0.5264(2) 0.0191(7) Uani 1 1 d . . . . .
H38 H 0.4358 0.9079 0.5106 0.023 Uiso 1 1 calc R U . . .
C32 C 0.3633(3) 0.9888(2) 0.6038(2) 0.0147(7) Uani 1 1 d . . . . .
H39 H 0.4482 1.0170 0.6406 0.018 Uiso 1 1 calc R U . . .
C33 C 0.1809(3) 1.1881(2) 0.69763(18) 0.0104(6) Uani 1 1 d . . . . .
C34 C 0.0662(3) 1.2114(2) 0.7251(2) 0.0168(7) Uani 1 1 d . . . . .
H40 H 0.0211 1.1781 0.7624 0.020 Uiso 1 1 calc R U . . .
C35 C 0.0169(3) 1.2828(2) 0.6987(2) 0.0193(7) Uani 1 1 d . . . . .
H41 H -0.0605 1.2986 0.7186 0.023 Uiso 1 1 calc R U . . .
C36 C 0.0805(3) 1.3311(2) 0.6431(2) 0.0197(7) Uani 1 1 d . . . . .
H42 H 0.0472 1.3800 0.6251 0.024 Uiso 1 1 calc R U . . .
C37 C 0.1919(3) 1.3074(2) 0.6146(2) 0.0180(7) Uani 1 1 d . . . . .
H43 H 0.2348 1.3391 0.5757 0.022 Uiso 1 1 calc R U . . .
C38 C 0.2426(3) 1.2370(2) 0.6423(2) 0.0141(7) Uani 1 1 d . . . . .
H44 H 0.3210 1.2223 0.6229 0.017 Uiso 1 1 calc R U . . .
C39 C 0.0127(3) 0.7007(2) 0.6884(2) 0.0133(7) Uani 1 1 d . . . . .
C40 C 0.0108(4) 0.6748(3) 0.6026(2) 0.0282(9) Uani 1 1 d . . . . .
H45 H -0.0621 0.6801 0.5656 0.034 Uiso 1 1 calc R U . . .
C41 C 0.1149(4) 0.6411(4) 0.5705(3) 0.0482(13) Uani 1 1 d . . . . .
H46 H 0.1128 0.6232 0.5115 0.058 Uiso 1 1 calc R U . . .
C42 C 0.2222(4) 0.6334(3) 0.6238(3) 0.0403(11) Uani 1 1 d . . . . .
H47 H 0.2930 0.6097 0.6015 0.048 Uiso 1 1 calc R U . . .
C43 C 0.2252(4) 0.6605(3) 0.7097(2) 0.0281(9) Uani 1 1 d . . . . .
H48 H 0.2991 0.6565 0.7466 0.034 Uiso 1 1 calc R U . . .
C44 C 0.1215(3) 0.6931(2) 0.7415(2) 0.0189(7) Uani 1 1 d . . . . .
H49 H 0.1238 0.7107 0.8005 0.023 Uiso 1 1 calc R U . . .
C45 C -0.2415(3) 0.7448(2) 0.64776(18) 0.0104(6) Uani 1 1 d . . . . .
C46 C -0.2349(3) 0.8285(2) 0.61839(19) 0.0149(7) Uani 1 1 d . . . . .
H50 H -0.1638 0.8879 0.6435 0.018 Uiso 1 1 calc R U . . .
C47 C -0.3319(3) 0.8257(3) 0.5524(2) 0.0188(7) Uani 1 1 d . . . . .
H51 H -0.3265 0.8833 0.5327 0.023 Uiso 1 1 calc R U . . .
C48 C -0.4367(3) 0.7392(3) 0.5150(2) 0.0189(7) Uani 1 1 d . . . . .
H52 H -0.5039 0.7378 0.4708 0.023 Uiso 1 1 calc R U . . .
C49 C -0.4418(3) 0.6551(3) 0.5432(2) 0.0172(7) Uani 1 1 d . . . . .
H53 H -0.5111 0.5951 0.5169 0.021 Uiso 1 1 calc R U . . .
C50 C -0.3457(3) 0.6583(2) 0.60971(19) 0.0155(7) Uani 1 1 d . . . . .
H54 H -0.3513 0.6006 0.6294 0.019 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C5 2.196(3) . ?
Ru1 C4 2.227(3) . ?
Ru1 C1 2.238(3) . ?
Ru1 C3 2.245(3) . ?
Ru1 C2 2.248(3) . ?
Ru1 P1 2.3369(9) . ?
Ru1 Cl2 2.3543(9) . ?
Ru1 Cl1 2.4020(9) . ?
Ru2 C12 2.217(3) . ?
Ru2 C13 2.229(3) . ?
Ru2 C14 2.234(3) . ?
Ru2 C15 2.245(3) . ?
Ru2 C11 2.254(3) . ?
Ru2 P2 2.3382(9) . ?
Ru2 Cl4 2.3793(9) . ?
Ru2 Cl3 2.3814(9) . ?
P1 C27 1.829(3) . ?
P1 C21 1.830(3) . ?
P1 C33 1.835(3) . ?
P2 C39 1.827(3) . ?
P2 C23 1.831(3) . ?
P2 C45 1.843(3) . ?
C1 C5 1.426(5) . ?
C1 C2 1.437(5) . ?
C1 C6 1.484(5) . ?
C2 C3 1.436(4) . ?
C2 C7 1.491(4) . ?
C3 C4 1.416(4) . ?
C3 C8 1.494(4) . ?
C4 C5 1.446(5) . ?
C4 C9 1.502(4) . ?
C5 C10 1.508(4) . ?
C6 H1 0.9800 . ?
C6 H2 0.9800 . ?
C6 H3 0.9800 . ?
C7 H4 0.9800 . ?
C7 H5 0.9800 . ?
C7 H6 0.9800 . ?
C8 H7 0.9800 . ?
C8 H8 0.9800 . ?
C8 H9 0.9800 . ?
C9 H10 0.9800 . ?
C9 H11 0.9800 . ?
C9 H12 0.9800 . ?
C10 H13 0.9800 . ?
C10 H14 0.9800 . ?
C10 H15 0.9800 . ?
C11 C12 1.427(4) . ?
C11 C15 1.436(4) . ?
C11 C16 1.505(4) . ?
C12 C13 1.444(5) . ?
C12 C17 1.501(5) . ?
C13 C14 1.430(5) . ?
C13 C18 1.492(4) . ?
C14 C15 1.446(4) . ?
C14 C19 1.491(4) . ?
C15 C20 1.490(4) . ?
C16 H16 0.9800 . ?
C16 H17 0.9800 . ?
C16 H18 0.9800 . ?
C17 H19 0.9800 . ?
C17 H20 0.9800 . ?
C17 H21 0.9800 . ?
C18 H22 0.9800 . ?
C18 H23 0.9800 . ?
C18 H24 0.9800 . ?
C19 H25 0.9800 . ?
C19 H26 0.9800 . ?
C19 H27 0.9800 . ?
C20 H28 0.9800 . ?
C20 H29 0.9800 . ?
C20 H30 0.9800 . ?
C21 C22 1.398(4) . ?
C21 C26 1.399(4) . ?
C22 C23 1.395(4) . ?
C22 H31 0.9500 . ?
C23 C24 1.397(4) . ?
C24 C25 1.392(4) . ?
C24 H32 0.9500 . ?
C25 C26 1.386(4) . ?
C25 H33 0.9500 . ?
C26 H34 0.9500 . ?
C27 C32 1.384(4) . ?
C27 C28 1.408(4) . ?
C28 C29 1.388(4) . ?
C28 H35 0.9500 . ?
C29 C30 1.390(4) . ?
C29 H36 0.9500 . ?
C30 C31 1.393(5) . ?
C30 H37 0.9500 . ?
C31 C32 1.392(4) . ?
C31 H38 0.9500 . ?
C32 H39 0.9500 . ?
C33 C38 1.384(4) . ?
C33 C34 1.395(4) . ?
C34 C35 1.391(4) . ?
C34 H40 0.9500 . ?
C35 C36 1.391(5) . ?
C35 H41 0.9500 . ?
C36 C37 1.370(5) . ?
C36 H42 0.9500 . ?
C37 C38 1.396(4) . ?
C37 H43 0.9500 . ?
C38 H44 0.9500 . ?
C39 C40 1.384(5) . ?
C39 C44 1.397(4) . ?
C40 C41 1.386(5) . ?
C40 H45 0.9500 . ?
C41 C42 1.388(6) . ?
C41 H46 0.9500 . ?
C42 C43 1.384(5) . ?
C42 H47 0.9500 . ?
C43 C44 1.373(5) . ?
C43 H48 0.9500 . ?
C44 H49 0.9500 . ?
C45 C46 1.389(4) . ?
C45 C50 1.390(4) . ?
C46 C47 1.393(4) . ?
C46 H50 0.9500 . ?
C47 C48 1.391(5) . ?
C47 H51 0.9500 . ?
C48 C49 1.385(5) . ?
C48 H52 0.9500 . ?
C49 C50 1.392(4) . ?
C49 H53 0.9500 . ?
C50 H54 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 Ru1 C4 38.16(12) . . ?
C5 Ru1 C1 37.50(12) . . ?
C4 Ru1 C1 62.75(12) . . ?
C5 Ru1 C3 62.91(12) . . ?
C4 Ru1 C3 36.91(11) . . ?
C1 Ru1 C3 62.64(12) . . ?
C5 Ru1 C2 62.57(12) . . ?
C4 Ru1 C2 62.02(11) . . ?
C1 Ru1 C2 37.37(12) . . ?
C3 Ru1 C2 37.28(11) . . ?
C5 Ru1 P1 108.89(9) . . ?
C4 Ru1 P1 145.17(9) . . ?
C1 Ru1 P1 98.00(9) . . ?
C3 Ru1 P1 158.00(9) . . ?
C2 Ru1 P1 120.82(9) . . ?
C5 Ru1 Cl2 98.21(9) . . ?
C4 Ru1 Cl2 89.77(9) . . ?
C1 Ru1 Cl2 134.01(9) . . ?
C3 Ru1 Cl2 116.52(8) . . ?
C2 Ru1 Cl2 151.53(8) . . ?
P1 Ru1 Cl2 84.14(3) . . ?
C5 Ru1 Cl1 153.27(9) . . ?
C4 Ru1 Cl1 124.48(9) . . ?
C1 Ru1 Cl1 123.61(9) . . ?
C3 Ru1 Cl1 92.35(9) . . ?
C2 Ru1 Cl1 91.84(9) . . ?
P1 Ru1 Cl1 90.29(3) . . ?
Cl2 Ru1 Cl1 102.23(3) . . ?
C12 Ru2 C13 37.90(12) . . ?
C12 Ru2 C14 62.84(12) . . ?
C13 Ru2 C14 37.38(12) . . ?
C12 Ru2 C15 62.47(12) . . ?
C13 Ru2 C15 62.64(12) . . ?
C14 Ru2 C15 37.68(12) . . ?
C12 Ru2 C11 37.22(11) . . ?
C13 Ru2 C11 62.63(12) . . ?
C14 Ru2 C11 62.61(12) . . ?
C15 Ru2 C11 37.23(11) . . ?
C12 Ru2 P2 117.60(9) . . ?
C13 Ru2 P2 154.71(9) . . ?
C14 Ru2 P2 154.31(9) . . ?
C15 Ru2 P2 117.51(9) . . ?
C11 Ru2 P2 101.39(9) . . ?
C12 Ru2 Cl4 152.96(9) . . ?
C13 Ru2 Cl4 121.62(9) . . ?
C14 Ru2 Cl4 90.70(9) . . ?
C15 Ru2 Cl4 93.52(9) . . ?
C11 Ru2 Cl4 126.92(9) . . ?
P2 Ru2 Cl4 83.52(3) . . ?
C12 Ru2 Cl3 91.61(9) . . ?
C13 Ru2 Cl3 88.09(9) . . ?
C14 Ru2 Cl3 119.09(9) . . ?
C15 Ru2 Cl3 150.27(9) . . ?
C11 Ru2 Cl3 125.71(9) . . ?
P2 Ru2 Cl3 86.46(3) . . ?
Cl4 Ru2 Cl3 107.26(3) . . ?
C27 P1 C21 104.51(14) . . ?
C27 P1 C33 100.45(14) . . ?
C21 P1 C33 103.79(14) . . ?
C27 P1 Ru1 116.47(10) . . ?
C21 P1 Ru1 112.63(10) . . ?
C33 P1 Ru1 117.23(10) . . ?
C39 P2 C23 102.26(14) . . ?
C39 P2 C45 104.02(14) . . ?
C23 P2 C45 102.87(14) . . ?
C39 P2 Ru2 114.05(11) . . ?
C23 P2 Ru2 116.58(10) . . ?
C45 P2 Ru2 115.31(10) . . ?
C5 C1 C2 107.4(3) . . ?
C5 C1 C6 126.4(3) . . ?
C2 C1 C6 125.7(3) . . ?
C5 C1 Ru1 69.65(18) . . ?
C2 C1 Ru1 71.69(18) . . ?
C6 C1 Ru1 129.9(2) . . ?
C3 C2 C1 108.4(3) . . ?
C3 C2 C7 124.6(3) . . ?
C1 C2 C7 126.8(3) . . ?
C3 C2 Ru1 71.27(17) . . ?
C1 C2 Ru1 70.93(17) . . ?
C7 C2 Ru1 127.3(2) . . ?
C4 C3 C2 107.9(3) . . ?
C4 C3 C8 126.4(3) . . ?
C2 C3 C8 125.7(3) . . ?
C4 C3 Ru1 70.83(17) . . ?
C2 C3 Ru1 71.45(16) . . ?
C8 C3 Ru1 124.2(2) . . ?
C3 C4 C5 108.2(3) . . ?
C3 C4 C9 126.0(3) . . ?
C5 C4 C9 125.7(3) . . ?
C3 C4 Ru1 72.25(17) . . ?
C5 C4 Ru1 69.75(17) . . ?
C9 C4 Ru1 126.8(2) . . ?
C1 C5 C4 108.1(3) . . ?
C1 C5 C10 126.6(3) . . ?
C4 C5 C10 124.9(3) . . ?
C1 C5 Ru1 72.84(18) . . ?
C4 C5 Ru1 72.09(18) . . ?
C10 C5 Ru1 126.5(2) . . ?
C1 C6 H1 109.5 . . ?
C1 C6 H2 109.5 . . ?
H1 C6 H2 109.5 . . ?
C1 C6 H3 109.5 . . ?
H1 C6 H3 109.5 . . ?
H2 C6 H3 109.5 . . ?
C2 C7 H4 109.5 . . ?
C2 C7 H5 109.5 . . ?
H4 C7 H5 109.5 . . ?
C2 C7 H6 109.5 . . ?
H4 C7 H6 109.5 . . ?
H5 C7 H6 109.5 . . ?
C3 C8 H7 109.5 . . ?
C3 C8 H8 109.5 . . ?
H7 C8 H8 109.5 . . ?
C3 C8 H9 109.5 . . ?
H7 C8 H9 109.5 . . ?
H8 C8 H9 109.5 . . ?
C4 C9 H10 109.5 . . ?
C4 C9 H11 109.5 . . ?
H10 C9 H11 109.5 . . ?
C4 C9 H12 109.5 . . ?
H10 C9 H12 109.5 . . ?
H11 C9 H12 109.5 . . ?
C5 C10 H13 109.5 . . ?
C5 C10 H14 109.5 . . ?
H13 C10 H14 109.5 . . ?
C5 C10 H15 109.5 . . ?
H13 C10 H15 109.5 . . ?
H14 C10 H15 109.5 . . ?
C12 C11 C15 107.8(3) . . ?
C12 C11 C16 125.9(3) . . ?
C15 C11 C16 125.9(3) . . ?
C12 C11 Ru2 69.97(17) . . ?
C15 C11 Ru2 71.03(17) . . ?
C16 C11 Ru2 130.3(2) . . ?
C11 C12 C13 108.5(3) . . ?
C11 C12 C17 127.0(3) . . ?
C13 C12 C17 124.3(3) . . ?
C11 C12 Ru2 72.81(17) . . ?
C13 C12 Ru2 71.51(17) . . ?
C17 C12 Ru2 125.6(2) . . ?
C14 C13 C12 107.7(3) . . ?
C14 C13 C18 126.2(3) . . ?
C12 C13 C18 126.1(3) . . ?
C14 C13 Ru2 71.50(18) . . ?
C12 C13 Ru2 70.60(18) . . ?
C18 C13 Ru2 125.8(2) . . ?
C13 C14 C15 107.9(3) . . ?
C13 C14 C19 128.0(3) . . ?
C15 C14 C19 124.1(3) . . ?
C13 C14 Ru2 71.12(18) . . ?
C15 C14 Ru2 71.57(17) . . ?
C19 C14 Ru2 124.4(2) . . ?
C11 C15 C14 108.0(3) . . ?
C11 C15 C20 128.6(3) . . ?
C14 C15 C20 122.8(3) . . ?
C11 C15 Ru2 71.74(17) . . ?
C14 C15 Ru2 70.75(17) . . ?
C20 C15 Ru2 130.2(2) . . ?
C11 C16 H16 109.5 . . ?
C11 C16 H17 109.5 . . ?
H16 C16 H17 109.5 . . ?
C11 C16 H18 109.5 . . ?
H16 C16 H18 109.5 . . ?
H17 C16 H18 109.5 . . ?
C12 C17 H19 109.5 . . ?
C12 C17 H20 109.5 . . ?
H19 C17 H20 109.5 . . ?
C12 C17 H21 109.5 . . ?
H19 C17 H21 109.5 . . ?
H20 C17 H21 109.5 . . ?
C13 C18 H22 109.5 . . ?
C13 C18 H23 109.5 . . ?
H22 C18 H23 109.5 . . ?
C13 C18 H24 109.5 . . ?
H22 C18 H24 109.5 . . ?
H23 C18 H24 109.5 . . ?
C14 C19 H25 109.5 . . ?
C14 C19 H26 109.5 . . ?
H25 C19 H26 109.5 . . ?
C14 C19 H27 109.5 . . ?
H25 C19 H27 109.5 . . ?
H26 C19 H27 109.5 . . ?
C15 C20 H28 109.5 . . ?
C15 C20 H29 109.5 . . ?
H28 C20 H29 109.5 . . ?
C15 C20 H30 109.5 . . ?
H28 C20 H30 109.5 . . ?
H29 C20 H30 109.5 . . ?
C22 C21 C26 118.2(3) . . ?
C22 C21 P1 122.2(2) . . ?
C26 C21 P1 119.6(2) . . ?
C23 C22 C21 121.9(3) . . ?
C23 C22 H31 119.1 . . ?
C21 C22 H31 119.1 . . ?
C22 C23 C24 118.7(3) . . ?
C22 C23 P2 120.1(2) . . ?
C24 C23 P2 121.1(2) . . ?
C25 C24 C23 119.9(3) . . ?
C25 C24 H32 120.0 . . ?
C23 C24 H32 120.0 . . ?
C26 C25 C24 120.8(3) . . ?
C26 C25 H33 119.6 . . ?
C24 C25 H33 119.6 . . ?
C25 C26 C21 120.4(3) . . ?
C25 C26 H34 119.8 . . ?
C21 C26 H34 119.8 . . ?
C32 C27 C28 119.0(3) . . ?
C32 C27 P1 120.6(2) . . ?
C28 C27 P1 120.5(2) . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H35 119.9 . . ?
C27 C28 H35 119.9 . . ?
C28 C29 C30 120.5(3) . . ?
C28 C29 H36 119.7 . . ?
C30 C29 H36 119.7 . . ?
C29 C30 C31 119.3(3) . . ?
C29 C30 H37 120.3 . . ?
C31 C30 H37 120.3 . . ?
C32 C31 C30 120.3(3) . . ?
C32 C31 H38 119.9 . . ?
C30 C31 H38 119.9 . . ?
C27 C32 C31 120.7(3) . . ?
C27 C32 H39 119.6 . . ?
C31 C32 H39 119.6 . . ?
C38 C33 C34 118.0(3) . . ?
C38 C33 P1 117.1(2) . . ?
C34 C33 P1 124.9(2) . . ?
C35 C34 C33 120.8(3) . . ?
C35 C34 H40 119.6 . . ?
C33 C34 H40 119.6 . . ?
C36 C35 C34 120.3(3) . . ?
C36 C35 H41 119.9 . . ?
C34 C35 H41 119.9 . . ?
C37 C36 C35 119.3(3) . . ?
C37 C36 H42 120.3 . . ?
C35 C36 H42 120.3 . . ?
C36 C37 C38 120.4(3) . . ?
C36 C37 H43 119.8 . . ?
C38 C37 H43 119.8 . . ?
C33 C38 C37 121.2(3) . . ?
C33 C38 H44 119.4 . . ?
C37 C38 H44 119.4 . . ?
C40 C39 C44 118.9(3) . . ?
C40 C39 P2 123.7(3) . . ?
C44 C39 P2 117.5(2) . . ?
C39 C40 C41 120.1(4) . . ?
C39 C40 H45 119.9 . . ?
C41 C40 H45 119.9 . . ?
C40 C41 C42 120.5(4) . . ?
C40 C41 H46 119.7 . . ?
C42 C41 H46 119.7 . . ?
C43 C42 C41 119.4(4) . . ?
C43 C42 H47 120.3 . . ?
C41 C42 H47 120.3 . . ?
C44 C43 C42 120.1(4) . . ?
C44 C43 H48 120.0 . . ?
C42 C43 H48 120.0 . . ?
C43 C44 C39 121.0(3) . . ?
C43 C44 H49 119.5 . . ?
C39 C44 H49 119.5 . . ?
C46 C45 C50 118.9(3) . . ?
C46 C45 P2 123.3(2) . . ?
C50 C45 P2 117.8(2) . . ?
C45 C46 C47 120.4(3) . . ?
C45 C46 H50 119.8 . . ?
C47 C46 H50 119.8 . . ?
C48 C47 C46 120.5(3) . . ?
C48 C47 H51 119.8 . . ?
C46 C47 H51 119.8 . . ?
C49 C48 C47 119.1(3) . . ?
C49 C48 H52 120.4 . . ?
C47 C48 H52 120.4 . . ?
C48 C49 C50 120.3(3) . . ?
C48 C49 H53 119.9 . . ?
C50 C49 H53 119.9 . . ?
C45 C50 C49 120.8(3) . . ?
C45 C50 H54 119.6 . . ?
C49 C50 H54 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 1.0(3) . . . . ?
C6 C1 C2 C3 -171.8(3) . . . . ?
Ru1 C1 C2 C3 61.8(2) . . . . ?
C5 C1 C2 C7 176.4(3) . . . . ?
C6 C1 C2 C7 3.7(5) . . . . ?
Ru1 C1 C2 C7 -122.8(3) . . . . ?
C5 C1 C2 Ru1 -60.8(2) . . . . ?
C6 C1 C2 Ru1 126.5(3) . . . . ?
C1 C2 C3 C4 0.3(3) . . . . ?
C7 C2 C3 C4 -175.3(3) . . . . ?
Ru1 C2 C3 C4 61.8(2) . . . . ?
C1 C2 C3 C8 179.2(3) . . . . ?
C7 C2 C3 C8 3.6(5) . . . . ?
Ru1 C2 C3 C8 -119.3(3) . . . . ?
C1 C2 C3 Ru1 -61.5(2) . . . . ?
C7 C2 C3 Ru1 122.9(3) . . . . ?
C2 C3 C4 C5 -1.4(3) . . . . ?
C8 C3 C4 C5 179.7(3) . . . . ?
Ru1 C3 C4 C5 60.8(2) . . . . ?
C2 C3 C4 C9 174.8(3) . . . . ?
C8 C3 C4 C9 -4.1(5) . . . . ?
Ru1 C3 C4 C9 -123.0(3) . . . . ?
C2 C3 C4 Ru1 -62.2(2) . . . . ?
C8 C3 C4 Ru1 118.9(3) . . . . ?
C2 C1 C5 C4 -1.8(3) . . . . ?
C6 C1 C5 C4 170.8(3) . . . . ?
Ru1 C1 C5 C4 -63.9(2) . . . . ?
C2 C1 C5 C10 -174.7(3) . . . . ?
C6 C1 C5 C10 -2.1(5) . . . . ?
Ru1 C1 C5 C10 123.1(3) . . . . ?
C2 C1 C5 Ru1 62.1(2) . . . . ?
C6 C1 C5 Ru1 -125.2(3) . . . . ?
C3 C4 C5 C1 2.0(4) . . . . ?
C9 C4 C5 C1 -174.2(3) . . . . ?
Ru1 C4 C5 C1 64.4(2) . . . . ?
C3 C4 C5 C10 175.1(3) . . . . ?
C9 C4 C5 C10 -1.1(5) . . . . ?
Ru1 C4 C5 C10 -122.5(3) . . . . ?
C3 C4 C5 Ru1 -62.4(2) . . . . ?
C9 C4 C5 Ru1 121.4(3) . . . . ?
C15 C11 C12 C13 1.7(4) . . . . ?
C16 C11 C12 C13 -171.2(3) . . . . ?
Ru2 C11 C12 C13 63.0(2) . . . . ?
C15 C11 C12 C17 176.7(3) . . . . ?
C16 C11 C12 C17 3.8(5) . . . . ?
Ru2 C11 C12 C17 -122.0(3) . . . . ?
C15 C11 C12 Ru2 -61.3(2) . . . . ?
C16 C11 C12 Ru2 125.8(3) . . . . ?
C11 C12 C13 C14 -1.6(4) . . . . ?
C17 C12 C13 C14 -176.7(3) . . . . ?
Ru2 C12 C13 C14 62.3(2) . . . . ?
C11 C12 C13 C18 175.4(3) . . . . ?
C17 C12 C13 C18 0.3(5) . . . . ?
Ru2 C12 C13 C18 -120.7(3) . . . . ?
C11 C12 C13 Ru2 -63.9(2) . . . . ?
C17 C12 C13 Ru2 121.0(3) . . . . ?
C12 C13 C14 C15 0.8(4) . . . . ?
C18 C13 C14 C15 -176.2(3) . . . . ?
Ru2 C13 C14 C15 62.5(2) . . . . ?
C12 C13 C14 C19 179.0(3) . . . . ?
C18 C13 C14 C19 2.0(5) . . . . ?
Ru2 C13 C14 C19 -119.3(3) . . . . ?
C12 C13 C14 Ru2 -61.7(2) . . . . ?
C18 C13 C14 Ru2 121.3(3) . . . . ?
C12 C11 C15 C14 -1.2(4) . . . . ?
C16 C11 C15 C14 171.7(3) . . . . ?
Ru2 C11 C15 C14 -61.8(2) . . . . ?
C12 C11 C15 C20 -172.0(3) . . . . ?
C16 C11 C15 C20 0.9(5) . . . . ?
Ru2 C11 C15 C20 127.4(3) . . . . ?
C12 C11 C15 Ru2 60.6(2) . . . . ?
C16 C11 C15 Ru2 -126.5(3) . . . . ?
C13 C14 C15 C11 0.2(4) . . . . ?
C19 C14 C15 C11 -178.0(3) . . . . ?
Ru2 C14 C15 C11 62.4(2) . . . . ?
C13 C14 C15 C20 171.7(3) . . . . ?
C19 C14 C15 C20 -6.5(5) . . . . ?
Ru2 C14 C15 C20 -126.1(3) . . . . ?
C13 C14 C15 Ru2 -62.2(2) . . . . ?
C19 C14 C15 Ru2 119.5(3) . . . . ?
C27 P1 C21 C22 12.3(3) . . . . ?
C33 P1 C21 C22 117.2(3) . . . . ?
Ru1 P1 C21 C22 -115.0(2) . . . . ?
C27 P1 C21 C26 -170.0(2) . . . . ?
C33 P1 C21 C26 -65.1(3) . . . . ?
Ru1 P1 C21 C26 62.7(3) . . . . ?
C26 C21 C22 C23 3.3(4) . . . . ?
P1 C21 C22 C23 -179.0(2) . . . . ?
C21 C22 C23 C24 -0.5(4) . . . . ?
C21 C22 C23 P2 177.1(2) . . . . ?
C39 P2 C23 C22 31.1(3) . . . . ?
C45 P2 C23 C22 -76.6(3) . . . . ?
Ru2 P2 C23 C22 156.2(2) . . . . ?
C39 P2 C23 C24 -151.3(3) . . . . ?
C45 P2 C23 C24 101.0(3) . . . . ?
Ru2 P2 C23 C24 -26.2(3) . . . . ?
C22 C23 C24 C25 -2.1(4) . . . . ?
P2 C23 C24 C25 -179.7(2) . . . . ?
C23 C24 C25 C26 1.9(5) . . . . ?
C24 C25 C26 C21 0.9(5) . . . . ?
C22 C21 C26 C25 -3.5(4) . . . . ?
P1 C21 C26 C25 178.8(2) . . . . ?
C21 P1 C27 C32 -125.5(3) . . . . ?
C33 P1 C27 C32 127.2(3) . . . . ?
Ru1 P1 C27 C32 -0.5(3) . . . . ?
C21 P1 C27 C28 54.8(3) . . . . ?
C33 P1 C27 C28 -52.5(3) . . . . ?
Ru1 P1 C27 C28 179.8(2) . . . . ?
C32 C27 C28 C29 1.4(5) . . . . ?
P1 C27 C28 C29 -178.9(2) . . . . ?
C27 C28 C29 C30 -1.2(5) . . . . ?
C28 C29 C30 C31 0.2(5) . . . . ?
C29 C30 C31 C32 0.5(5) . . . . ?
C28 C27 C32 C31 -0.7(5) . . . . ?
P1 C27 C32 C31 179.6(3) . . . . ?
C30 C31 C32 C27 -0.3(5) . . . . ?
C27 P1 C33 C38 -58.5(3) . . . . ?
C21 P1 C33 C38 -166.4(2) . . . . ?
Ru1 P1 C33 C38 68.7(3) . . . . ?
C27 P1 C33 C34 122.1(3) . . . . ?
C21 P1 C33 C34 14.2(3) . . . . ?
Ru1 P1 C33 C34 -110.7(3) . . . . ?
C38 C33 C34 C35 -1.0(5) . . . . ?
P1 C33 C34 C35 178.4(2) . . . . ?
C33 C34 C35 C36 1.0(5) . . . . ?
C34 C35 C36 C37 0.2(5) . . . . ?
C35 C36 C37 C38 -1.3(5) . . . . ?
C34 C33 C38 C37 -0.1(5) . . . . ?
P1 C33 C38 C37 -179.6(2) . . . . ?
C36 C37 C38 C33 1.3(5) . . . . ?
C23 P2 C39 C40 -108.5(3) . . . . ?
C45 P2 C39 C40 -1.7(3) . . . . ?
Ru2 P2 C39 C40 124.7(3) . . . . ?
C23 P2 C39 C44 72.3(3) . . . . ?
C45 P2 C39 C44 179.1(3) . . . . ?
Ru2 P2 C39 C44 -54.4(3) . . . . ?
C44 C39 C40 C41 0.6(6) . . . . ?
P2 C39 C40 C41 -178.5(3) . . . . ?
C39 C40 C41 C42 -0.3(7) . . . . ?
C40 C41 C42 C43 -0.6(7) . . . . ?
C41 C42 C43 C44 1.1(7) . . . . ?
C42 C43 C44 C39 -0.8(6) . . . . ?
C40 C39 C44 C43 -0.1(5) . . . . ?
P2 C39 C44 C43 179.1(3) . . . . ?
C39 P2 C45 C46 -92.9(3) . . . . ?
C23 P2 C45 C46 13.4(3) . . . . ?
Ru2 P2 C45 C46 141.4(2) . . . . ?
C39 P2 C45 C50 88.8(3) . . . . ?
C23 P2 C45 C50 -164.9(2) . . . . ?
Ru2 P2 C45 C50 -36.9(3) . . . . ?
C50 C45 C46 C47 0.6(5) . . . . ?
P2 C45 C46 C47 -177.7(2) . . . . ?
C45 C46 C47 C48 0.0(5) . . . . ?
C46 C47 C48 C49 -1.3(5) . . . . ?
C47 C48 C49 C50 2.0(5) . . . . ?
C46 C45 C50 C49 0.2(5) . . . . ?
P2 C45 C50 C49 178.5(2) . . . . ?
C48 C49 C50 C45 -1.5(5) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#===END
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/diethyl ether'
####################################################################### 
# 
# 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_Compound3
_database_code_depnum_ccdc_archive 'CCDC 2031923'
loop_
_audit_author_name
_audit_author_address
'Shigeki KUWATA'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-02-08 deposited with the CCDC.	2021-02-18 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_audit_creation_method           'by CrystalStructure 4.3'
_chemical_formula_sum            'C50 H56 Cl2 N2 P2 Ru2'
_chemical_formula_moiety         'C50 H56 Cl2 N2 P2 Ru2'
_chemical_formula_weight         1020.00
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   17.001(2)
_cell_length_b                   18.285(2)
_cell_length_c                   14.7640(18)
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.5563(19)
_cell_angle_gamma                90.0000
_cell_volume                     4587.9(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15361
_cell_measurement_theta_min      1.64
_cell_measurement_theta_max      31.43
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2088.00
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_T_max  0.916

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            37126
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_min         3.012
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             10445
_reflns_number_gt                7693
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.1187
_refine_ls_wR_factor_gt          0.1110
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         10445
_refine_ls_number_parameters     541
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0581P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.69
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.31946(2) 0.51423(2) 0.64002(2) 0.01814(9) Uani 1 1 d . . . . .
Ru2 Ru 0.29452(2) 0.39073(2) 0.93802(2) 0.01781(9) Uani 1 1 d . . . . .
Cl1 Cl 0.21430(5) 0.42320(5) 0.62320(6) 0.0251(2) Uani 1 1 d . . . . .
Cl2 Cl 0.34314(5) 0.51314(5) 0.97943(6) 0.02345(19) Uani 1 1 d . . . . .
P1 P 0.22970(5) 0.60888(5) 0.66452(6) 0.01709(19) Uani 1 1 d . . . . .
P2 P 0.16520(5) 0.43351(5) 0.94342(6) 0.01601(19) Uani 1 1 d . . . . .
N1 N 0.31725(17) 0.48847(16) 0.7743(2) 0.0180(6) Uani 1 1 d . . . . .
N2 N 0.30381(18) 0.42543(17) 0.8090(2) 0.0194(6) Uani 1 1 d . . . . .
C1 C 0.4457(2) 0.4904(2) 0.6345(3) 0.0274(9) Uani 1 1 d . . . . .
C2 C 0.4323(2) 0.5648(2) 0.6095(3) 0.0255(8) Uani 1 1 d . . . . .
C3 C 0.3842(2) 0.5644(2) 0.5290(3) 0.0316(9) Uani 1 1 d . . . . .
C4 C 0.3660(3) 0.4909(3) 0.5066(3) 0.0360(10) Uani 1 1 d . . . . .
C5 C 0.4048(2) 0.4440(2) 0.5722(3) 0.0292(9) Uani 1 1 d . . . . .
C6 C 0.4961(3) 0.4658(3) 0.7138(3) 0.0451(12) Uani 1 1 d . . . . .
H3 H 0.5514 0.4655 0.6968 0.068 Uiso 1 1 calc R U . . .
H4 H 0.4804 0.4164 0.7317 0.068 Uiso 1 1 calc R U . . .
H5 H 0.4893 0.4995 0.7647 0.068 Uiso 1 1 calc R U . . .
C7 C 0.4739(3) 0.6299(3) 0.6498(4) 0.0503(14) Uani 1 1 d . . . . .
H6 H 0.4450 0.6745 0.6331 0.076 Uiso 1 1 calc R U . . .
H7 H 0.5273 0.6326 0.6266 0.076 Uiso 1 1 calc R U . . .
H8 H 0.4766 0.6252 0.7159 0.076 Uiso 1 1 calc R U . . .
C8 C 0.3642(3) 0.6300(3) 0.4710(4) 0.0626(17) Uani 1 1 d . . . . .
H9 H 0.3119 0.6234 0.4425 0.094 Uiso 1 1 calc R U . . .
H10 H 0.4033 0.6352 0.4239 0.094 Uiso 1 1 calc R U . . .
H11 H 0.3643 0.6741 0.5088 0.094 Uiso 1 1 calc R U . . .
C9 C 0.3193(3) 0.4654(4) 0.4241(3) 0.0627(17) Uani 1 1 d . . . . .
H12 H 0.3551 0.4445 0.3801 0.094 Uiso 1 1 calc R U . . .
H13 H 0.2911 0.5069 0.3967 0.094 Uiso 1 1 calc R U . . .
H14 H 0.2813 0.4281 0.4420 0.094 Uiso 1 1 calc R U . . .
C10 C 0.4042(3) 0.3625(2) 0.5720(4) 0.0508(14) Uani 1 1 d . . . . .
H15 H 0.4201 0.3444 0.6323 0.076 Uiso 1 1 calc R U . . .
H16 H 0.4411 0.3444 0.5273 0.076 Uiso 1 1 calc R U . . .
H17 H 0.3511 0.3450 0.5564 0.076 Uiso 1 1 calc R U . . .
C11 C 0.3478(3) 0.2855(3) 0.9111(3) 0.0473(13) Uani 1 1 d . . . . .
C12 C 0.2782(3) 0.2723(2) 0.9568(4) 0.0459(13) Uani 1 1 d . . . . .
C13 C 0.2861(3) 0.3041(2) 1.0432(3) 0.0377(11) Uani 1 1 d . . . . .
C14 C 0.3605(3) 0.3380(2) 1.0506(3) 0.0407(12) Uani 1 1 d . . . . .
C15 C 0.3997(3) 0.3256(3) 0.9662(3) 0.0436(12) Uani 1 1 d . . . . .
C16 C 0.3636(6) 0.2577(4) 0.8164(4) 0.139(4) Uani 1 1 d . . . . .
H18 H 0.3722 0.2047 0.8185 0.209 Uiso 1 1 calc R U . . .
H19 H 0.4105 0.2818 0.7935 0.209 Uiso 1 1 calc R U . . .
H20 H 0.3183 0.2685 0.7762 0.209 Uiso 1 1 calc R U . . .
C17 C 0.2141(5) 0.2199(3) 0.9265(6) 0.146(5) Uani 1 1 d . . . . .
H21 H 0.2204 0.1736 0.9593 0.219 Uiso 1 1 calc R U . . .
H22 H 0.2176 0.2110 0.8613 0.219 Uiso 1 1 calc R U . . .
H23 H 0.1626 0.2411 0.9392 0.219 Uiso 1 1 calc R U . . .
C18 C 0.2286(4) 0.2907(4) 1.1156(5) 0.113(4) Uani 1 1 d . . . . .
H24 H 0.2373 0.3262 1.1647 0.169 Uiso 1 1 calc R U . . .
H25 H 0.2357 0.2411 1.1394 0.169 Uiso 1 1 calc R U . . .
H26 H 0.1750 0.2962 1.0905 0.169 Uiso 1 1 calc R U . . .
C19 C 0.3957(6) 0.3763(3) 1.1300(4) 0.122(4) Uani 1 1 d . . . . .
H27 H 0.4318 0.3432 1.1628 0.182 Uiso 1 1 calc R U . . .
H28 H 0.3539 0.3917 1.1703 0.182 Uiso 1 1 calc R U . . .
H29 H 0.4246 0.4194 1.1097 0.182 Uiso 1 1 calc R U . . .
C20 C 0.4820(3) 0.3487(5) 0.9487(7) 0.141(5) Uani 1 1 d . . . . .
H30 H 0.4908 0.3475 0.8834 0.211 Uiso 1 1 calc R U . . .
H31 H 0.5188 0.3152 0.9797 0.211 Uiso 1 1 calc R U . . .
H32 H 0.4904 0.3985 0.9715 0.211 Uiso 1 1 calc R U . . .
C21 C 0.1840(2) 0.60652(18) 0.7761(2) 0.0167(7) Uani 1 1 d . . . . .
C22 C 0.16931(19) 0.53758(18) 0.8113(2) 0.0154(7) Uani 1 1 d . . . . .
H33 H 0.1704 0.4963 0.7723 0.019 Uiso 1 1 calc R U . . .
C23 C 0.15289(19) 0.52758(18) 0.9032(2) 0.0158(7) Uani 1 1 d . . . . .
C24 C 0.1412(2) 0.58892(19) 0.9561(2) 0.0175(7) Uani 1 1 d . . . . .
H34 H 0.1301 0.5834 1.0185 0.021 Uiso 1 1 calc R U . . .
C25 C 0.1456(2) 0.65840(19) 0.9186(2) 0.0195(7) Uani 1 1 d . . . . .
H35 H 0.1318 0.6999 0.9534 0.023 Uiso 1 1 calc R U . . .
C26 C 0.1702(2) 0.66727(19) 0.8306(2) 0.0195(7) Uani 1 1 d . . . . .
H36 H 0.1777 0.7151 0.8072 0.023 Uiso 1 1 calc R U . . .
C27 C 0.1428(2) 0.6184(2) 0.5887(2) 0.0222(8) Uani 1 1 d . . . . .
C28 C 0.0835(2) 0.6676(2) 0.6085(3) 0.0291(9) Uani 1 1 d . . . . .
H37 H 0.0894 0.6983 0.6601 0.035 Uiso 1 1 calc R U . . .
C29 C 0.0161(3) 0.6727(3) 0.5545(3) 0.0389(11) Uani 1 1 d . . . . .
H38 H -0.0233 0.7076 0.5681 0.047 Uiso 1 1 calc R U . . .
C30 C 0.0061(3) 0.6266(3) 0.4799(3) 0.0454(12) Uani 1 1 d . . . . .
H39 H -0.0410 0.6283 0.4438 0.055 Uiso 1 1 calc R U . . .
C31 C 0.0649(3) 0.5787(3) 0.4593(3) 0.0496(13) Uani 1 1 d . . . . .
H40 H 0.0590 0.5482 0.4074 0.059 Uiso 1 1 calc R U . . .
C32 C 0.1329(3) 0.5739(3) 0.5129(3) 0.0380(11) Uani 1 1 d . . . . .
H41 H 0.1730 0.5401 0.4978 0.046 Uiso 1 1 calc R U . . .
C33 C 0.2713(2) 0.70111(19) 0.6670(2) 0.0209(8) Uani 1 1 d . . . . .
C34 C 0.2557(2) 0.7530(2) 0.5999(3) 0.0304(9) Uani 1 1 d . . . . .
H42 H 0.2201 0.7413 0.5513 0.036 Uiso 1 1 calc R U . . .
C35 C 0.2912(3) 0.8217(2) 0.6027(3) 0.0381(11) Uani 1 1 d . . . . .
H43 H 0.2800 0.8562 0.5560 0.046 Uiso 1 1 calc R U . . .
C36 C 0.3418(3) 0.8394(2) 0.6720(3) 0.0362(10) Uani 1 1 d . . . . .
H44 H 0.3652 0.8866 0.6744 0.043 Uiso 1 1 calc R U . . .
C37 C 0.3593(2) 0.7884(2) 0.7396(3) 0.0344(10) Uani 1 1 d . . . . .
H45 H 0.3951 0.8006 0.7878 0.041 Uiso 1 1 calc R U . . .
C38 C 0.3247(2) 0.7196(2) 0.7367(3) 0.0258(8) Uani 1 1 d . . . . .
H46 H 0.3376 0.6848 0.7825 0.031 Uiso 1 1 calc R U . . .
C39 C 0.1285(2) 0.43445(18) 1.0590(2) 0.0185(7) Uani 1 1 d . . . . .
C40 C 0.0617(2) 0.39723(19) 1.0862(2) 0.0205(8) Uani 1 1 d . . . . .
H47 H 0.0290 0.3730 1.0425 0.025 Uiso 1 1 calc R U . . .
C41 C 0.0428(2) 0.3954(2) 1.1774(3) 0.0248(8) Uani 1 1 d . . . . .
H48 H -0.0029 0.3699 1.1953 0.030 Uiso 1 1 calc R U . . .
C42 C 0.0894(2) 0.4299(2) 1.2415(3) 0.0280(9) Uani 1 1 d . . . . .
H49 H 0.0761 0.4281 1.3035 0.034 Uiso 1 1 calc R U . . .
C43 C 0.1561(2) 0.4676(2) 1.2154(3) 0.0268(8) Uani 1 1 d . . . . .
H50 H 0.1882 0.4921 1.2595 0.032 Uiso 1 1 calc R U . . .
C44 C 0.1758(2) 0.46926(19) 1.1247(2) 0.0228(8) Uani 1 1 d . . . . .
H51 H 0.2220 0.4943 1.1072 0.027 Uiso 1 1 calc R U . . .
C45 C 0.0909(2) 0.38762(18) 0.8713(2) 0.0160(7) Uani 1 1 d . . . . .
C46 C 0.0116(2) 0.40732(19) 0.8707(2) 0.0201(7) Uani 1 1 d . . . . .
H52 H -0.0060 0.4442 0.9107 0.024 Uiso 1 1 calc R U . . .
C47 C -0.0418(2) 0.3729(2) 0.8116(2) 0.0235(8) Uani 1 1 d . . . . .
H53 H -0.0961 0.3853 0.8127 0.028 Uiso 1 1 calc R U . . .
C48 C -0.0164(2) 0.3210(2) 0.7517(3) 0.0261(8) Uani 1 1 d . . . . .
H54 H -0.0533 0.2979 0.7115 0.031 Uiso 1 1 calc R U . . .
C49 C 0.0619(2) 0.3024(2) 0.7494(3) 0.0281(9) Uani 1 1 d . . . . .
H55 H 0.0792 0.2670 0.7073 0.034 Uiso 1 1 calc R U . . .
C50 C 0.1155(2) 0.33551(19) 0.8090(2) 0.0219(8) Uani 1 1 d . . . . .
H56 H 0.1695 0.3226 0.8074 0.026 Uiso 1 1 calc R U . . .
H1 H 0.328(2) 0.517(2) 0.823(2) 0.017(10) Uiso 1 1 d . . . . .
H2 H 0.289(2) 0.395(2) 0.769(3) 0.022(11) Uiso 1 1 d . . . . .


#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_molecular_graphics    'CrystalStructure 4.2.5'

#==============================================================================
# MOLECULAR GEOMETRY

_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 2.039(3) . ?
Ru1 C4 2.185(4) . ?
Ru1 C2 2.187(4) . ?
Ru1 C1 2.193(4) . ?
Ru1 C3 2.199(4) . ?
Ru1 C5 2.200(4) . ?
Ru1 P1 2.3418(10) . ?
Ru1 Cl1 2.4504(9) . ?
Ru2 N2 2.017(3) . ?
Ru2 C11 2.168(4) . ?
Ru2 C15 2.179(4) . ?
Ru2 C14 2.202(4) . ?
Ru2 C12 2.203(4) . ?
Ru2 C13 2.225(4) . ?
Ru2 P2 2.3371(9) . ?
Ru2 Cl2 2.4575(9) . ?
P1 C33 1.829(4) . ?
P1 C27 1.837(4) . ?
P1 C21 1.841(3) . ?
P2 C23 1.830(3) . ?
P2 C45 1.832(3) . ?
P2 C39 1.834(3) . ?
N1 N2 1.285(4) . ?
N1 H1 0.91(4) . ?
N2 H2 0.85(4) . ?
C1 C5 1.419(6) . ?
C1 C2 1.426(5) . ?
C1 C6 1.500(6) . ?
C2 C3 1.423(6) . ?
C2 C7 1.501(6) . ?
C3 C4 1.416(6) . ?
C3 C8 1.508(6) . ?
C4 C5 1.442(6) . ?
C4 C9 1.509(6) . ?
C5 C10 1.490(6) . ?
C6 H3 0.9800 . ?
C6 H4 0.9800 . ?
C6 H5 0.9800 . ?
C7 H6 0.9800 . ?
C7 H7 0.9800 . ?
C7 H8 0.9800 . ?
C8 H9 0.9800 . ?
C8 H10 0.9800 . ?
C8 H11 0.9800 . ?
C9 H12 0.9800 . ?
C9 H13 0.9800 . ?
C9 H14 0.9800 . ?
C10 H15 0.9800 . ?
C10 H16 0.9800 . ?
C10 H17 0.9800 . ?
C11 C15 1.392(7) . ?
C11 C12 1.400(7) . ?
C11 C16 1.518(7) . ?
C12 C13 1.406(7) . ?
C12 C17 1.509(7) . ?
C13 C14 1.408(6) . ?
C13 C18 1.489(6) . ?
C14 C15 1.447(7) . ?
C14 C19 1.479(7) . ?
C15 C20 1.491(7) . ?
C16 H18 0.9800 . ?
C16 H19 0.9800 . ?
C16 H20 0.9800 . ?
C17 H21 0.9800 . ?
C17 H22 0.9800 . ?
C17 H23 0.9800 . ?
C18 H24 0.9800 . ?
C18 H25 0.9800 . ?
C18 H26 0.9800 . ?
C19 H27 0.9800 . ?
C19 H28 0.9800 . ?
C19 H29 0.9800 . ?
C20 H30 0.9800 . ?
C20 H31 0.9800 . ?
C20 H32 0.9800 . ?
C21 C22 1.389(4) . ?
C21 C26 1.395(4) . ?
C22 C23 1.404(5) . ?
C22 H33 0.9500 . ?
C23 C24 1.385(5) . ?
C24 C25 1.389(5) . ?
C24 H34 0.9500 . ?
C25 C26 1.385(5) . ?
C25 H35 0.9500 . ?
C26 H36 0.9500 . ?
C27 C28 1.388(5) . ?
C27 C32 1.390(5) . ?
C28 C29 1.382(6) . ?
C28 H37 0.9500 . ?
C29 C30 1.393(7) . ?
C29 H38 0.9500 . ?
C30 C31 1.370(7) . ?
C30 H39 0.9500 . ?
C31 C32 1.387(6) . ?
C31 H40 0.9500 . ?
C32 H41 0.9500 . ?
C33 C34 1.392(5) . ?
C33 C38 1.395(5) . ?
C34 C35 1.395(5) . ?
C34 H42 0.9500 . ?
C35 C36 1.358(6) . ?
C35 H43 0.9500 . ?
C36 C37 1.392(6) . ?
C36 H44 0.9500 . ?
C37 C38 1.389(5) . ?
C37 H45 0.9500 . ?
C38 H46 0.9500 . ?
C39 C40 1.392(5) . ?
C39 C44 1.397(5) . ?
C40 C41 1.392(5) . ?
C40 H47 0.9500 . ?
C41 C42 1.372(6) . ?
C41 H48 0.9500 . ?
C42 C43 1.391(6) . ?
C42 H49 0.9500 . ?
C43 C44 1.390(5) . ?
C43 H50 0.9500 . ?
C44 H51 0.9500 . ?
C45 C50 1.396(5) . ?
C45 C46 1.396(5) . ?
C46 C47 1.393(5) . ?
C46 H52 0.9500 . ?
C47 C48 1.374(5) . ?
C47 H53 0.9500 . ?
C48 C49 1.376(5) . ?
C48 H54 0.9500 . ?
C49 C50 1.388(5) . ?
C49 H55 0.9500 . ?
C50 H56 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 C4 148.05(15) . . ?
N1 Ru1 C2 109.72(13) . . ?
C4 Ru1 C2 63.62(15) . . ?
N1 Ru1 C1 91.95(13) . . ?
C4 Ru1 C1 63.22(16) . . ?
C2 Ru1 C1 38.01(14) . . ?
N1 Ru1 C3 147.52(15) . . ?
C4 Ru1 C3 37.69(16) . . ?
C2 Ru1 C3 37.87(15) . . ?
C1 Ru1 C3 62.96(15) . . ?
N1 Ru1 C5 109.72(14) . . ?
C4 Ru1 C5 38.40(16) . . ?
C2 Ru1 C5 63.88(14) . . ?
C1 Ru1 C5 37.69(15) . . ?
C3 Ru1 C5 63.55(15) . . ?
N1 Ru1 P1 89.50(9) . . ?
C4 Ru1 P1 122.45(13) . . ?
C2 Ru1 P1 107.36(10) . . ?
C1 Ru1 P1 142.65(11) . . ?
C3 Ru1 P1 98.53(11) . . ?
C5 Ru1 P1 160.51(11) . . ?
N1 Ru1 Cl1 84.78(9) . . ?
C4 Ru1 Cl1 93.26(12) . . ?
C2 Ru1 Cl1 155.19(10) . . ?
C1 Ru1 Cl1 124.95(11) . . ?
C3 Ru1 Cl1 125.90(12) . . ?
C5 Ru1 Cl1 92.62(11) . . ?
P1 Ru1 Cl1 92.35(3) . . ?
N2 Ru2 C11 93.55(15) . . ?
N2 Ru2 C15 105.51(15) . . ?
C11 Ru2 C15 37.4(2) . . ?
N2 Ru2 C14 143.04(17) . . ?
C11 Ru2 C14 62.81(18) . . ?
C15 Ru2 C14 38.56(18) . . ?
N2 Ru2 C12 116.19(17) . . ?
C11 Ru2 C12 37.3(2) . . ?
C15 Ru2 C12 62.85(18) . . ?
C14 Ru2 C12 62.44(16) . . ?
N2 Ru2 C13 152.96(16) . . ?
C11 Ru2 C13 62.08(17) . . ?
C15 Ru2 C13 62.96(16) . . ?
C14 Ru2 C13 37.10(17) . . ?
C12 Ru2 C13 37.02(18) . . ?
N2 Ru2 P2 91.42(9) . . ?
C11 Ru2 P2 134.55(17) . . ?
C15 Ru2 P2 160.76(12) . . ?
C14 Ru2 P2 125.52(15) . . ?
C12 Ru2 P2 101.71(14) . . ?
C13 Ru2 P2 97.82(11) . . ?
N2 Ru2 Cl2 85.06(9) . . ?
C11 Ru2 Cl2 135.60(17) . . ?
C15 Ru2 Cl2 100.48(15) . . ?
C14 Ru2 Cl2 92.89(11) . . ?
C12 Ru2 Cl2 155.13(13) . . ?
C13 Ru2 Cl2 120.14(14) . . ?
P2 Ru2 Cl2 89.83(3) . . ?
C33 P1 C27 103.26(17) . . ?
C33 P1 C21 100.14(15) . . ?
C27 P1 C21 101.27(16) . . ?
C33 P1 Ru1 115.54(12) . . ?
C27 P1 Ru1 119.49(13) . . ?
C21 P1 Ru1 114.43(11) . . ?
C23 P2 C45 99.84(15) . . ?
C23 P2 C39 104.76(15) . . ?
C45 P2 C39 107.36(16) . . ?
C23 P2 Ru2 113.76(11) . . ?
C45 P2 Ru2 117.45(12) . . ?
C39 P2 Ru2 112.29(11) . . ?
N2 N1 Ru1 127.1(2) . . ?
N2 N1 H1 104(2) . . ?
Ru1 N1 H1 129(2) . . ?
N1 N2 Ru2 132.7(3) . . ?
N1 N2 H2 111(3) . . ?
Ru2 N2 H2 115(3) . . ?
C5 C1 C2 109.3(4) . . ?
C5 C1 C6 125.9(4) . . ?
C2 C1 C6 124.8(4) . . ?
C5 C1 Ru1 71.4(2) . . ?
C2 C1 Ru1 70.7(2) . . ?
C6 C1 Ru1 124.7(3) . . ?
C3 C2 C1 107.2(3) . . ?
C3 C2 C7 126.0(4) . . ?
C1 C2 C7 125.7(4) . . ?
C3 C2 Ru1 71.5(2) . . ?
C1 C2 Ru1 71.3(2) . . ?
C7 C2 Ru1 131.4(3) . . ?
C4 C3 C2 108.5(4) . . ?
C4 C3 C8 125.2(4) . . ?
C2 C3 C8 125.9(4) . . ?
C4 C3 Ru1 70.6(2) . . ?
C2 C3 Ru1 70.6(2) . . ?
C8 C3 Ru1 130.2(3) . . ?
C3 C4 C5 108.3(4) . . ?
C3 C4 C9 126.1(5) . . ?
C5 C4 C9 125.4(4) . . ?
C3 C4 Ru1 71.7(2) . . ?
C5 C4 Ru1 71.4(2) . . ?
C9 C4 Ru1 126.4(3) . . ?
C1 C5 C4 106.7(4) . . ?
C1 C5 C10 127.1(4) . . ?
C4 C5 C10 126.2(4) . . ?
C1 C5 Ru1 70.9(2) . . ?
C4 C5 Ru1 70.2(2) . . ?
C10 C5 Ru1 125.5(3) . . ?
C1 C6 H3 109.5 . . ?
C1 C6 H4 109.5 . . ?
H3 C6 H4 109.5 . . ?
C1 C6 H5 109.5 . . ?
H3 C6 H5 109.5 . . ?
H4 C6 H5 109.5 . . ?
C2 C7 H6 109.5 . . ?
C2 C7 H7 109.5 . . ?
H6 C7 H7 109.5 . . ?
C2 C7 H8 109.5 . . ?
H6 C7 H8 109.5 . . ?
H7 C7 H8 109.5 . . ?
C3 C8 H9 109.5 . . ?
C3 C8 H10 109.5 . . ?
H9 C8 H10 109.5 . . ?
C3 C8 H11 109.5 . . ?
H9 C8 H11 109.5 . . ?
H10 C8 H11 109.5 . . ?
C4 C9 H12 109.5 . . ?
C4 C9 H13 109.5 . . ?
H12 C9 H13 109.5 . . ?
C4 C9 H14 109.5 . . ?
H12 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
C5 C10 H15 109.5 . . ?
C5 C10 H16 109.5 . . ?
H15 C10 H16 109.5 . . ?
C5 C10 H17 109.5 . . ?
H15 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
C15 C11 C12 109.8(4) . . ?
C15 C11 C16 126.2(6) . . ?
C12 C11 C16 124.0(6) . . ?
C15 C11 Ru2 71.8(3) . . ?
C12 C11 Ru2 72.7(3) . . ?
C16 C11 Ru2 123.5(3) . . ?
C11 C12 C13 107.7(4) . . ?
C11 C12 C17 125.5(6) . . ?
C13 C12 C17 125.7(6) . . ?
C11 C12 Ru2 70.0(3) . . ?
C13 C12 Ru2 72.3(2) . . ?
C17 C12 Ru2 132.8(3) . . ?
C12 C13 C14 108.5(4) . . ?
C12 C13 C18 122.3(6) . . ?
C14 C13 C18 128.4(6) . . ?
C12 C13 Ru2 70.6(2) . . ?
C14 C13 Ru2 70.6(2) . . ?
C18 C13 Ru2 132.4(3) . . ?
C13 C14 C15 107.3(4) . . ?
C13 C14 C19 127.8(6) . . ?
C15 C14 C19 124.8(6) . . ?
C13 C14 Ru2 72.3(2) . . ?
C15 C14 Ru2 69.9(2) . . ?
C19 C14 Ru2 125.3(3) . . ?
C11 C15 C14 106.7(4) . . ?
C11 C15 C20 129.1(6) . . ?
C14 C15 C20 124.2(6) . . ?
C11 C15 Ru2 70.9(2) . . ?
C14 C15 Ru2 71.6(2) . . ?
C20 C15 Ru2 125.5(4) . . ?
C11 C16 H18 109.5 . . ?
C11 C16 H19 109.5 . . ?
H18 C16 H19 109.5 . . ?
C11 C16 H20 109.5 . . ?
H18 C16 H20 109.5 . . ?
H19 C16 H20 109.5 . . ?
C12 C17 H21 109.5 . . ?
C12 C17 H22 109.5 . . ?
H21 C17 H22 109.5 . . ?
C12 C17 H23 109.5 . . ?
H21 C17 H23 109.5 . . ?
H22 C17 H23 109.5 . . ?
C13 C18 H24 109.5 . . ?
C13 C18 H25 109.5 . . ?
H24 C18 H25 109.5 . . ?
C13 C18 H26 109.5 . . ?
H24 C18 H26 109.5 . . ?
H25 C18 H26 109.5 . . ?
C14 C19 H27 109.5 . . ?
C14 C19 H28 109.5 . . ?
H27 C19 H28 109.5 . . ?
C14 C19 H29 109.5 . . ?
H27 C19 H29 109.5 . . ?
H28 C19 H29 109.5 . . ?
C15 C20 H30 109.5 . . ?
C15 C20 H31 109.5 . . ?
H30 C20 H31 109.5 . . ?
C15 C20 H32 109.5 . . ?
H30 C20 H32 109.5 . . ?
H31 C20 H32 109.5 . . ?
C22 C21 C26 118.2(3) . . ?
C22 C21 P1 116.1(2) . . ?
C26 C21 P1 125.4(3) . . ?
C21 C22 C23 121.5(3) . . ?
C21 C22 H33 119.3 . . ?
C23 C22 H33 119.3 . . ?
C24 C23 C22 118.4(3) . . ?
C24 C23 P2 126.5(3) . . ?
C22 C23 P2 114.3(2) . . ?
C23 C24 C25 120.3(3) . . ?
C23 C24 H34 119.8 . . ?
C25 C24 H34 119.8 . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H35 119.9 . . ?
C24 C25 H35 119.9 . . ?
C25 C26 C21 120.5(3) . . ?
C25 C26 H36 119.7 . . ?
C21 C26 H36 119.7 . . ?
C28 C27 C32 118.4(4) . . ?
C28 C27 P1 120.7(3) . . ?
C32 C27 P1 120.8(3) . . ?
C29 C28 C27 121.2(4) . . ?
C29 C28 H37 119.4 . . ?
C27 C28 H37 119.4 . . ?
C28 C29 C30 119.8(4) . . ?
C28 C29 H38 120.1 . . ?
C30 C29 H38 120.1 . . ?
C31 C30 C29 119.3(4) . . ?
C31 C30 H39 120.4 . . ?
C29 C30 H39 120.4 . . ?
C30 C31 C32 121.1(4) . . ?
C30 C31 H40 119.5 . . ?
C32 C31 H40 119.5 . . ?
C31 C32 C27 120.2(4) . . ?
C31 C32 H41 119.9 . . ?
C27 C32 H41 119.9 . . ?
C34 C33 C38 117.9(3) . . ?
C34 C33 P1 123.2(3) . . ?
C38 C33 P1 118.8(3) . . ?
C33 C34 C35 121.2(4) . . ?
C33 C34 H42 119.4 . . ?
C35 C34 H42 119.4 . . ?
C36 C35 C34 120.1(4) . . ?
C36 C35 H43 119.9 . . ?
C34 C35 H43 119.9 . . ?
C35 C36 C37 120.0(4) . . ?
C35 C36 H44 120.0 . . ?
C37 C36 H44 120.0 . . ?
C38 C37 C36 120.1(4) . . ?
C38 C37 H45 119.9 . . ?
C36 C37 H45 119.9 . . ?
C37 C38 C33 120.6(4) . . ?
C37 C38 H46 119.7 . . ?
C33 C38 H46 119.7 . . ?
C40 C39 C44 118.8(3) . . ?
C40 C39 P2 124.4(3) . . ?
C44 C39 P2 116.5(3) . . ?
C39 C40 C41 120.2(3) . . ?
C39 C40 H47 119.9 . . ?
C41 C40 H47 119.9 . . ?
C42 C41 C40 120.7(4) . . ?
C42 C41 H48 119.6 . . ?
C40 C41 H48 119.6 . . ?
C41 C42 C43 119.8(3) . . ?
C41 C42 H49 120.1 . . ?
C43 C42 H49 120.1 . . ?
C44 C43 C42 119.9(4) . . ?
C44 C43 H50 120.1 . . ?
C42 C43 H50 120.1 . . ?
C43 C44 C39 120.6(4) . . ?
C43 C44 H51 119.7 . . ?
C39 C44 H51 119.7 . . ?
C50 C45 C46 118.5(3) . . ?
C50 C45 P2 118.8(3) . . ?
C46 C45 P2 122.4(3) . . ?
C47 C46 C45 120.0(3) . . ?
C47 C46 H52 120.0 . . ?
C45 C46 H52 120.0 . . ?
C48 C47 C46 120.3(4) . . ?
C48 C47 H53 119.9 . . ?
C46 C47 H53 119.9 . . ?
C47 C48 C49 120.5(4) . . ?
C47 C48 H54 119.7 . . ?
C49 C48 H54 119.7 . . ?
C48 C49 C50 119.7(3) . . ?
C48 C49 H55 120.2 . . ?
C50 C49 H55 120.2 . . ?
C49 C50 C45 120.8(3) . . ?
C49 C50 H56 119.6 . . ?
C45 C50 H56 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N1 N2 Ru2 -176.85(16) . . . . ?
C5 C1 C2 C3 -1.6(4) . . . . ?
C6 C1 C2 C3 177.7(4) . . . . ?
Ru1 C1 C2 C3 -62.9(2) . . . . ?
C5 C1 C2 C7 -170.7(4) . . . . ?
C6 C1 C2 C7 8.6(6) . . . . ?
Ru1 C1 C2 C7 128.0(4) . . . . ?
C5 C1 C2 Ru1 61.3(3) . . . . ?
C6 C1 C2 Ru1 -119.4(4) . . . . ?
C1 C2 C3 C4 2.0(4) . . . . ?
C7 C2 C3 C4 171.1(4) . . . . ?
Ru1 C2 C3 C4 -60.7(3) . . . . ?
C1 C2 C3 C8 -171.1(4) . . . . ?
C7 C2 C3 C8 -2.1(6) . . . . ?
Ru1 C2 C3 C8 126.1(4) . . . . ?
C1 C2 C3 Ru1 62.7(2) . . . . ?
C7 C2 C3 Ru1 -128.2(4) . . . . ?
C2 C3 C4 C5 -1.7(4) . . . . ?
C8 C3 C4 C5 171.5(4) . . . . ?
Ru1 C3 C4 C5 -62.4(3) . . . . ?
C2 C3 C4 C9 -177.2(4) . . . . ?
C8 C3 C4 C9 -4.0(7) . . . . ?
Ru1 C3 C4 C9 122.1(4) . . . . ?
C2 C3 C4 Ru1 60.7(3) . . . . ?
C8 C3 C4 Ru1 -126.1(4) . . . . ?
C2 C1 C5 C4 0.6(4) . . . . ?
C6 C1 C5 C4 -178.7(4) . . . . ?
Ru1 C1 C5 C4 61.5(3) . . . . ?
C2 C1 C5 C10 178.6(4) . . . . ?
C6 C1 C5 C10 -0.7(6) . . . . ?
Ru1 C1 C5 C10 -120.5(4) . . . . ?
C2 C1 C5 Ru1 -60.9(3) . . . . ?
C6 C1 C5 Ru1 119.8(4) . . . . ?
C3 C4 C5 C1 0.6(4) . . . . ?
C9 C4 C5 C1 176.2(4) . . . . ?
Ru1 C4 C5 C1 -62.0(2) . . . . ?
C3 C4 C5 C10 -177.3(4) . . . . ?
C9 C4 C5 C10 -1.8(6) . . . . ?
Ru1 C4 C5 C10 120.1(4) . . . . ?
C3 C4 C5 Ru1 62.6(3) . . . . ?
C9 C4 C5 Ru1 -121.9(4) . . . . ?
C15 C11 C12 C13 -0.4(5) . . . . ?
C16 C11 C12 C13 177.9(4) . . . . ?
Ru2 C11 C12 C13 -62.9(3) . . . . ?
C15 C11 C12 C17 -168.6(4) . . . . ?
C16 C11 C12 C17 9.7(7) . . . . ?
Ru2 C11 C12 C17 128.9(5) . . . . ?
C15 C11 C12 Ru2 62.5(3) . . . . ?
C16 C11 C12 Ru2 -119.2(5) . . . . ?
C11 C12 C13 C14 0.7(5) . . . . ?
C17 C12 C13 C14 168.8(5) . . . . ?
Ru2 C12 C13 C14 -60.7(3) . . . . ?
C11 C12 C13 C18 -170.0(4) . . . . ?
C17 C12 C13 C18 -1.9(7) . . . . ?
Ru2 C12 C13 C18 128.6(4) . . . . ?
C11 C12 C13 Ru2 61.4(3) . . . . ?
C17 C12 C13 Ru2 -130.5(5) . . . . ?
C12 C13 C14 C15 -0.7(5) . . . . ?
C18 C13 C14 C15 169.3(4) . . . . ?
Ru2 C13 C14 C15 -61.4(3) . . . . ?
C12 C13 C14 C19 -177.9(5) . . . . ?
C18 C13 C14 C19 -7.9(8) . . . . ?
Ru2 C13 C14 C19 121.3(5) . . . . ?
C12 C13 C14 Ru2 60.8(3) . . . . ?
C18 C13 C14 Ru2 -129.3(4) . . . . ?
C12 C11 C15 C14 0.0(5) . . . . ?
C16 C11 C15 C14 -178.3(4) . . . . ?
Ru2 C11 C15 C14 63.1(3) . . . . ?
C12 C11 C15 C20 176.2(5) . . . . ?
C16 C11 C15 C20 -2.1(8) . . . . ?
Ru2 C11 C15 C20 -120.7(5) . . . . ?
C12 C11 C15 Ru2 -63.1(3) . . . . ?
C16 C11 C15 Ru2 118.6(5) . . . . ?
C13 C14 C15 C11 0.4(5) . . . . ?
C19 C14 C15 C11 177.7(4) . . . . ?
Ru2 C14 C15 C11 -62.6(3) . . . . ?
C13 C14 C15 C20 -176.0(5) . . . . ?
C19 C14 C15 C20 1.3(7) . . . . ?
Ru2 C14 C15 C20 120.9(5) . . . . ?
C13 C14 C15 Ru2 63.1(3) . . . . ?
C19 C14 C15 Ru2 -119.6(4) . . . . ?
C33 P1 C21 C22 -159.1(3) . . . . ?
C27 P1 C21 C22 95.1(3) . . . . ?
Ru1 P1 C21 C22 -34.9(3) . . . . ?
C33 P1 C21 C26 14.6(3) . . . . ?
C27 P1 C21 C26 -91.3(3) . . . . ?
Ru1 P1 C21 C26 138.8(3) . . . . ?
C26 C21 C22 C23 -9.8(5) . . . . ?
P1 C21 C22 C23 164.4(3) . . . . ?
C21 C22 C23 C24 8.5(5) . . . . ?
C21 C22 C23 P2 -162.1(3) . . . . ?
C45 P2 C23 C24 128.2(3) . . . . ?
C39 P2 C23 C24 17.2(3) . . . . ?
Ru2 P2 C23 C24 -105.8(3) . . . . ?
C45 P2 C23 C22 -62.1(3) . . . . ?
C39 P2 C23 C22 -173.1(2) . . . . ?
Ru2 P2 C23 C22 63.9(3) . . . . ?
C22 C23 C24 C25 0.1(5) . . . . ?
P2 C23 C24 C25 169.4(3) . . . . ?
C23 C24 C25 C26 -7.1(5) . . . . ?
C24 C25 C26 C21 5.7(5) . . . . ?
C22 C21 C26 C25 2.7(5) . . . . ?
P1 C21 C26 C25 -170.9(3) . . . . ?
C33 P1 C27 C28 -58.6(3) . . . . ?
C21 P1 C27 C28 44.8(3) . . . . ?
Ru1 P1 C27 C28 171.4(3) . . . . ?
C33 P1 C27 C32 124.7(3) . . . . ?
C21 P1 C27 C32 -131.9(3) . . . . ?
Ru1 P1 C27 C32 -5.2(4) . . . . ?
C32 C27 C28 C29 -0.1(6) . . . . ?
P1 C27 C28 C29 -176.8(3) . . . . ?
C27 C28 C29 C30 1.6(6) . . . . ?
C28 C29 C30 C31 -2.6(7) . . . . ?
C29 C30 C31 C32 2.0(8) . . . . ?
C30 C31 C32 C27 -0.4(8) . . . . ?
C28 C27 C32 C31 -0.6(6) . . . . ?
P1 C27 C32 C31 176.2(4) . . . . ?
C27 P1 C33 C34 -21.4(4) . . . . ?
C21 P1 C33 C34 -125.6(3) . . . . ?
Ru1 P1 C33 C34 111.0(3) . . . . ?
C27 P1 C33 C38 162.3(3) . . . . ?
C21 P1 C33 C38 58.0(3) . . . . ?
Ru1 P1 C33 C38 -65.4(3) . . . . ?
C38 C33 C34 C35 -1.0(6) . . . . ?
P1 C33 C34 C35 -177.4(3) . . . . ?
C33 C34 C35 C36 -0.4(7) . . . . ?
C34 C35 C36 C37 1.2(7) . . . . ?
C35 C36 C37 C38 -0.5(6) . . . . ?
C36 C37 C38 C33 -0.9(6) . . . . ?
C34 C33 C38 C37 1.6(6) . . . . ?
P1 C33 C38 C37 178.2(3) . . . . ?
C23 P2 C39 C40 113.8(3) . . . . ?
C45 P2 C39 C40 8.3(3) . . . . ?
Ru2 P2 C39 C40 -122.2(3) . . . . ?
C23 P2 C39 C44 -72.7(3) . . . . ?
C45 P2 C39 C44 -178.2(3) . . . . ?
Ru2 P2 C39 C44 51.3(3) . . . . ?
C44 C39 C40 C41 0.4(5) . . . . ?
P2 C39 C40 C41 173.7(3) . . . . ?
C39 C40 C41 C42 -0.1(5) . . . . ?
C40 C41 C42 C43 0.3(6) . . . . ?
C41 C42 C43 C44 -0.8(6) . . . . ?
C42 C43 C44 C39 1.0(6) . . . . ?
C40 C39 C44 C43 -0.8(5) . . . . ?
P2 C39 C44 C43 -174.7(3) . . . . ?
C23 P2 C45 C50 116.0(3) . . . . ?
C39 P2 C45 C50 -135.0(3) . . . . ?
Ru2 P2 C45 C50 -7.4(3) . . . . ?
C23 P2 C45 C46 -58.2(3) . . . . ?
C39 P2 C45 C46 50.8(3) . . . . ?
Ru2 P2 C45 C46 178.3(2) . . . . ?
C50 C45 C46 C47 2.8(5) . . . . ?
P2 C45 C46 C47 177.1(3) . . . . ?
C45 C46 C47 C48 -2.0(5) . . . . ?
C46 C47 C48 C49 0.1(6) . . . . ?
C47 C48 C49 C50 0.9(6) . . . . ?
C48 C49 C50 C45 0.0(6) . . . . ?
C46 C45 C50 C49 -1.8(5) . . . . ?
P2 C45 C50 C49 -176.3(3) . . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 Cl2 . . . 3.082(3) 0.91(4) 2.31(4) 142(3) no
N2 H2 Cl1 . . . 3.102(3) 0.84(4) 2.52(4) 127(3) no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#===END
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: diethyl ether'
####################################################################### 
# 
# 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_Compound4
_database_code_depnum_ccdc_archive 'CCDC 2031924'
loop_
_audit_author_name
_audit_author_address
'Shigeki KUWATA'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2021-02-08 deposited with the CCDC.	2021-02-18 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_audit_creation_method           'by CrystalStructure 4.3'
_chemical_formula_sum            'C56 H62 Cl2 N2 P2 Ru2'
_chemical_formula_moiety         'C56 H62 Cl2 N2 P2 Ru2'
_chemical_formula_weight         1098.11
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   12.728(14)
_cell_length_b                   35.75(4)
_cell_length_c                   12.407(14)
_cell_angle_alpha                90.0000
_cell_angle_beta                 108.829(12)
_cell_angle_gamma                90.0000
_cell_volume                     5343(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10470
_cell_measurement_theta_min      4.03
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2256.00
_exptl_absorpt_coefficient_mu    0.762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_correction_T_max  0.941

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            53170
_diffrn_reflns_av_unetI/netI     0.0979
_diffrn_reflns_av_R_equivalents  0.1065
_diffrn_reflns_theta_max         27.068
_diffrn_reflns_theta_min         3.010
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.932
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             11726
_reflns_number_gt                8677
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;Refined as a 2-component twin.
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).,Twin
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0956
_refine_ls_wR_factor_ref         0.3417
_refine_ls_wR_factor_gt          0.3061
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         11726
_refine_ls_number_parameters     588
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.2900P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         2.37
_refine_diff_density_min         -1.29
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.23265(5) 0.88526(2) 0.32694(6) 0.0205(2) Uani 1 1 d . . . . .
Ru2 Ru 0.58585(5) 0.85984(2) 0.65338(6) 0.0197(2) Uani 1 1 d . . . . .
Cl1 Cl 0.31735(19) 0.82451(6) 0.29543(19) 0.0268(5) Uani 1 1 d . . . . .
Cl2 Cl 0.60821(17) 0.91801(6) 0.54757(18) 0.0254(4) Uani 1 1 d . . . . .
P1 P 0.10827(18) 0.85373(6) 0.4026(2) 0.0231(5) Uani 1 1 d . . . . .
P2 P 0.55687(19) 0.89780(6) 0.79706(19) 0.0225(5) Uani 1 1 d . . . . .
N1 N 0.3626(6) 0.8872(2) 0.4796(7) 0.0250(16) Uani 1 1 d . . . . .
H1 H 0.3817 0.9099 0.5056 0.030 Uiso 1 1 calc R U . . .
N2 N 0.4215(6) 0.8607(2) 0.5442(6) 0.0217(15) Uani 1 1 d . . . . .
H2 H 0.3856 0.8395 0.5413 0.026 Uiso 1 1 calc R U . . .
C1 C 0.2929(8) 0.9197(3) 0.2077(8) 0.0294(19) Uani 1 1 d . . . . .
C2 C 0.2635(8) 0.9449(3) 0.2865(8) 0.0259(18) Uani 1 1 d . . . . .
C3 C 0.1450(8) 0.9401(3) 0.2694(8) 0.0290(19) Uani 1 1 d . . . . .
C4 C 0.1026(8) 0.9128(3) 0.1768(8) 0.0276(19) Uani 1 1 d . . . . .
C5 C 0.1911(9) 0.8999(3) 0.1403(9) 0.031(2) Uani 1 1 d . . . . .
C6 C 0.4082(9) 0.9165(3) 0.1910(10) 0.041(3) Uani 1 1 d . . . . .
H3 H 0.4151 0.9358 0.1378 0.061 Uiso 1 1 calc R U . . .
H4 H 0.4156 0.8917 0.1602 0.061 Uiso 1 1 calc R U . . .
H5 H 0.4666 0.9198 0.2644 0.061 Uiso 1 1 calc R U . . .
C7 C 0.3406(8) 0.9727(3) 0.3664(9) 0.033(2) Uani 1 1 d . . . . .
H6 H 0.3163 0.9767 0.4328 0.050 Uiso 1 1 calc R U . . .
H7 H 0.3390 0.9964 0.3265 0.050 Uiso 1 1 calc R U . . .
H8 H 0.4165 0.9627 0.3914 0.050 Uiso 1 1 calc R U . . .
C8 C 0.0750(9) 0.9659(3) 0.3178(9) 0.036(2) Uani 1 1 d . . . . .
H9 H 0.0618 0.9896 0.2758 0.053 Uiso 1 1 calc R U . . .
H10 H 0.1147 0.9707 0.3984 0.053 Uiso 1 1 calc R U . . .
H11 H 0.0038 0.9538 0.3100 0.053 Uiso 1 1 calc R U . . .
C9 C -0.0235(8) 0.9026(3) 0.1229(9) 0.036(2) Uani 1 1 d . . . . .
H12 H -0.0306 0.8790 0.0808 0.055 Uiso 1 1 calc R U . . .
H13 H -0.0617 0.9226 0.0708 0.055 Uiso 1 1 calc R U . . .
H14 H -0.0568 0.8999 0.1835 0.055 Uiso 1 1 calc R U . . .
C10 C 0.1850(11) 0.8733(3) 0.0416(9) 0.043(3) Uani 1 1 d . . . . .
H15 H 0.1793 0.8880 -0.0269 0.065 Uiso 1 1 calc R U . . .
H16 H 0.1198 0.8572 0.0271 0.065 Uiso 1 1 calc R U . . .
H17 H 0.2522 0.8579 0.0615 0.065 Uiso 1 1 calc R U . . .
C11 C 0.0154(7) 0.8167(3) 0.3132(9) 0.029(2) Uani 1 1 d . . . . .
C12 C -0.0640(8) 0.7972(3) 0.3504(10) 0.036(2) Uani 1 1 d . . . . .
H18 H -0.0743 0.8042 0.4202 0.043 Uiso 1 1 calc R U . . .
C13 C -0.1275(9) 0.7680(3) 0.2860(11) 0.042(3) Uani 1 1 d . . . . .
H19 H -0.1799 0.7554 0.3129 0.050 Uiso 1 1 calc R U . . .
C14 C -0.1145(9) 0.7570(3) 0.1811(11) 0.041(3) Uani 1 1 d . . . . .
H20 H -0.1590 0.7376 0.1370 0.049 Uiso 1 1 calc R U . . .
C15 C -0.0340(9) 0.7754(3) 0.1429(9) 0.040(3) Uani 1 1 d . . . . .
H21 H -0.0228 0.7677 0.0741 0.048 Uiso 1 1 calc R U . . .
C16 C 0.0306(8) 0.8057(3) 0.2080(9) 0.0289(19) Uani 1 1 d . . . . .
H22 H 0.0831 0.8183 0.1814 0.035 Uiso 1 1 calc R U . . .
C17 C 0.0094(8) 0.8867(2) 0.4363(9) 0.0269(19) Uani 1 1 d . . . . .
C18 C -0.1069(8) 0.8880(3) 0.3759(9) 0.029(2) Uani 1 1 d . . . . .
H23 H -0.1386 0.8699 0.3183 0.035 Uiso 1 1 calc R U . . .
C19 C -0.1765(8) 0.9158(3) 0.4002(10) 0.035(2) Uani 1 1 d . . . . .
H24 H -0.2533 0.9166 0.3575 0.042 Uiso 1 1 calc R U . . .
C20 C -0.1313(9) 0.9423(3) 0.4878(10) 0.034(2) Uani 1 1 d . . . . .
H25 H -0.1781 0.9605 0.5049 0.040 Uiso 1 1 calc R U . . .
C21 C -0.0151(9) 0.9417(3) 0.5507(9) 0.030(2) Uani 1 1 d . . . . .
H26 H 0.0156 0.9591 0.6105 0.036 Uiso 1 1 calc R U . . .
C22 C 0.0541(8) 0.9145(3) 0.5223(8) 0.0288(19) Uani 1 1 d . . . . .
H27 H 0.1317 0.9149 0.5614 0.035 Uiso 1 1 calc R U . . .
C23 C 0.1622(7) 0.8247(2) 0.5385(8) 0.0234(17) Uani 1 1 d . . . . .
C24 C 0.2136(8) 0.7895(3) 0.5294(9) 0.031(2) Uani 1 1 d . . . . .
H28 H 0.2245 0.7830 0.4596 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2481(8) 0.7644(3) 0.6225(9) 0.032(2) Uani 1 1 d . . . . .
H29 H 0.2801 0.7410 0.6145 0.039 Uiso 1 1 calc R U . . .
C26 C 0.2343(8) 0.7745(3) 0.7288(9) 0.031(2) Uani 1 1 d . . . . .
H30 H 0.2574 0.7579 0.7917 0.038 Uiso 1 1 calc R U . . .
C27 C 0.1861(8) 0.8095(3) 0.7397(9) 0.034(2) Uani 1 1 d . . . . .
H31 H 0.1778 0.8164 0.8105 0.040 Uiso 1 1 calc R U . . .
C28 C 0.1501(8) 0.8344(3) 0.6453(9) 0.031(2) Uani 1 1 d . . . . .
H32 H 0.1176 0.8577 0.6535 0.037 Uiso 1 1 calc R U . . .
C29 C 0.6753(7) 0.8224(2) 0.5680(8) 0.0240(18) Uani 1 1 d . . . . .
C30 C 0.6006(8) 0.7992(2) 0.6095(8) 0.0262(18) Uani 1 1 d . . . . .
C31 C 0.6338(8) 0.8031(3) 0.7332(8) 0.0274(19) Uani 1 1 d . . . . .
C32 C 0.7328(8) 0.8271(3) 0.7686(8) 0.030(2) Uani 1 1 d . . . . .
C33 C 0.7573(7) 0.8387(3) 0.6688(7) 0.0262(19) Uani 1 1 d . . . . .
C34 C 0.6722(8) 0.8266(3) 0.4459(8) 0.031(2) Uani 1 1 d . . . . .
H33 H 0.7256 0.8093 0.4309 0.046 Uiso 1 1 calc R U . . .
H34 H 0.6915 0.8524 0.4327 0.046 Uiso 1 1 calc R U . . .
H35 H 0.5974 0.8208 0.3948 0.046 Uiso 1 1 calc R U . . .
C35 C 0.5085(8) 0.7735(2) 0.5364(8) 0.0269(19) Uani 1 1 d . . . . .
H36 H 0.4460 0.7736 0.5663 0.040 Uiso 1 1 calc R U . . .
H37 H 0.5372 0.7480 0.5387 0.040 Uiso 1 1 calc R U . . .
H38 H 0.4834 0.7826 0.4577 0.040 Uiso 1 1 calc R U . . .
C36 C 0.5891(9) 0.7787(3) 0.8109(9) 0.034(2) Uani 1 1 d . . . . .
H39 H 0.6114 0.7895 0.8875 0.051 Uiso 1 1 calc R U . . .
H40 H 0.6196 0.7534 0.8146 0.051 Uiso 1 1 calc R U . . .
H41 H 0.5079 0.7776 0.7800 0.051 Uiso 1 1 calc R U . . .
C37 C 0.8064(9) 0.8342(3) 0.8932(8) 0.037(2) Uani 1 1 d . . . . .
H42 H 0.8677 0.8162 0.9144 0.056 Uiso 1 1 calc R U . . .
H43 H 0.7618 0.8312 0.9439 0.056 Uiso 1 1 calc R U . . .
H44 H 0.8363 0.8596 0.9002 0.056 Uiso 1 1 calc R U . . .
C38 C 0.8590(8) 0.8604(3) 0.6674(10) 0.038(2) Uani 1 1 d . . . . .
H45 H 0.8368 0.8805 0.6108 0.057 Uiso 1 1 calc R U . . .
H46 H 0.9107 0.8435 0.6476 0.057 Uiso 1 1 calc R U . . .
H47 H 0.8954 0.8712 0.7428 0.057 Uiso 1 1 calc R U . . .
C39 C 0.6674(9) 0.9341(3) 0.8610(8) 0.032(2) Uani 1 1 d . . . . .
C40 C 0.6522(11) 0.9626(3) 0.9370(10) 0.045(3) Uani 1 1 d . . . . .
H48 H 0.5879 0.9624 0.9601 0.054 Uiso 1 1 calc R U . . .
C41 C 0.7331(13) 0.9908(3) 0.9770(12) 0.059(4) Uani 1 1 d . . . . .
H49 H 0.7235 1.0094 1.0275 0.071 Uiso 1 1 calc R U . . .
C42 C 0.8302(12) 0.9914(3) 0.9415(11) 0.056(4) Uani 1 1 d . . . . .
H50 H 0.8834 1.0109 0.9667 0.068 Uiso 1 1 calc R U . . .
C43 C 0.8463(10) 0.9631(4) 0.8691(10) 0.048(3) Uani 1 1 d . . . . .
H51 H 0.9120 0.9626 0.8486 0.057 Uiso 1 1 calc R U . . .
C44 C 0.7632(9) 0.9351(3) 0.8271(9) 0.039(2) Uani 1 1 d . . . . .
H52 H 0.7724 0.9168 0.7753 0.047 Uiso 1 1 calc R U . . .
C45 C 0.5463(8) 0.8715(3) 0.9248(8) 0.0295(19) Uani 1 1 d . . . . .
C46 C 0.6230(9) 0.8754(3) 1.0377(8) 0.032(2) Uani 1 1 d . . . . .
H53 H 0.6823 0.8928 1.0524 0.038 Uiso 1 1 calc R U . . .
C47 C 0.6104(9) 0.8531(3) 1.1282(9) 0.035(2) Uani 1 1 d . . . . .
H54 H 0.6624 0.8552 1.2027 0.042 Uiso 1 1 calc R U . . .
C48 C 0.5203(9) 0.8276(3) 1.1072(9) 0.034(2) Uani 1 1 d . . . . .
H55 H 0.5112 0.8130 1.1675 0.041 Uiso 1 1 calc R U . . .
C49 C 0.4446(9) 0.8242(3) 0.9962(9) 0.031(2) Uani 1 1 d . . . . .
H56 H 0.3831 0.8077 0.9825 0.038 Uiso 1 1 calc R U . . .
C50 C 0.4586(8) 0.8448(3) 0.9060(8) 0.0266(18) Uani 1 1 d . . . . .
H57 H 0.4092 0.8409 0.8311 0.032 Uiso 1 1 calc R U . . .
C51 C 0.4321(8) 0.9298(2) 0.7614(8) 0.0255(18) Uani 1 1 d . . . . .
C52 C 0.4337(8) 0.9621(3) 0.6958(9) 0.032(2) Uani 1 1 d . . . . .
H58 H 0.4937 0.9658 0.6672 0.038 Uiso 1 1 calc R U . . .
C53 C 0.3477(9) 0.9890(3) 0.6720(9) 0.035(2) Uani 1 1 d . . . . .
H59 H 0.3509 1.0106 0.6284 0.041 Uiso 1 1 calc R U . . .
C54 C 0.2574(9) 0.9839(3) 0.7129(10) 0.039(2) Uani 1 1 d . . . . .
H60 H 0.2013 1.0025 0.7004 0.047 Uiso 1 1 calc R U . . .
C55 C 0.2516(9) 0.9505(3) 0.7733(9) 0.034(2) Uani 1 1 d . . . . .
H61 H 0.1884 0.9459 0.7961 0.041 Uiso 1 1 calc R U . . .
C56 C 0.3396(8) 0.9242(3) 0.7997(8) 0.032(2) Uani 1 1 d . . . . .
H62 H 0.3366 0.9026 0.8434 0.038 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 2.075(8) . ?
Ru1 C1 2.241(9) . ?
Ru1 C2 2.254(9) . ?
Ru1 C3 2.256(9) . ?
Ru1 C5 2.264(10) . ?
Ru1 C4 2.279(9) . ?
Ru1 P1 2.370(3) . ?
Ru1 Cl1 2.510(3) . ?
Ru2 N2 2.094(8) . ?
Ru2 C29 2.232(9) . ?
Ru2 C31 2.254(9) . ?
Ru2 C30 2.257(9) . ?
Ru2 C33 2.258(9) . ?
Ru2 C32 2.278(9) . ?
Ru2 P2 2.362(3) . ?
Ru2 Cl2 2.524(3) . ?
P1 C17 1.867(10) . ?
P1 C11 1.880(10) . ?
P1 C23 1.909(9) . ?
P2 C45 1.885(10) . ?
P2 C51 1.890(9) . ?
P2 C39 1.890(10) . ?
N1 N2 1.307(10) . ?
N1 H1 0.8800 . ?
N2 H2 0.8800 . ?
C1 C2 1.464(13) . ?
C1 C5 1.477(14) . ?
C1 C6 1.551(14) . ?
C2 C3 1.464(13) . ?
C2 C7 1.517(13) . ?
C3 C4 1.471(13) . ?
C3 C8 1.532(13) . ?
C4 C5 1.420(14) . ?
C4 C9 1.569(13) . ?
C5 C10 1.530(15) . ?
C6 H3 0.9800 . ?
C6 H4 0.9800 . ?
C6 H5 0.9800 . ?
C7 H6 0.9800 . ?
C7 H7 0.9800 . ?
C7 H8 0.9800 . ?
C8 H9 0.9800 . ?
C8 H10 0.9800 . ?
C8 H11 0.9800 . ?
C9 H12 0.9800 . ?
C9 H13 0.9800 . ?
C9 H14 0.9800 . ?
C10 H15 0.9800 . ?
C10 H16 0.9800 . ?
C10 H17 0.9800 . ?
C11 C12 1.421(14) . ?
C11 C16 1.435(15) . ?
C12 C13 1.402(15) . ?
C12 H18 0.9500 . ?
C13 C14 1.419(18) . ?
C13 H19 0.9500 . ?
C14 C15 1.422(17) . ?
C14 H20 0.9500 . ?
C15 C16 1.438(13) . ?
C15 H21 0.9500 . ?
C16 H22 0.9500 . ?
C17 C18 1.427(14) . ?
C17 C22 1.436(13) . ?
C18 C19 1.428(13) . ?
C18 H23 0.9500 . ?
C19 C20 1.415(15) . ?
C19 H24 0.9500 . ?
C20 C21 1.433(15) . ?
C20 H25 0.9500 . ?
C21 C22 1.429(13) . ?
C21 H26 0.9500 . ?
C22 H27 0.9500 . ?
C23 C28 1.426(13) . ?
C23 C24 1.438(13) . ?
C24 C25 1.415(14) . ?
C24 H28 0.9500 . ?
C25 C26 1.431(15) . ?
C25 H29 0.9500 . ?
C26 C27 1.420(14) . ?
C26 H30 0.9500 . ?
C27 C28 1.424(14) . ?
C27 H31 0.9500 . ?
C28 H32 0.9500 . ?
C29 C33 1.466(13) . ?
C29 C30 1.475(13) . ?
C29 C34 1.510(13) . ?
C30 C31 1.461(13) . ?
C30 C35 1.534(13) . ?
C31 C32 1.469(14) . ?
C31 C36 1.538(13) . ?
C32 C33 1.434(14) . ?
C32 C37 1.548(14) . ?
C33 C38 1.514(14) . ?
C34 H33 0.9800 . ?
C34 H34 0.9800 . ?
C34 H35 0.9800 . ?
C35 H36 0.9800 . ?
C35 H37 0.9800 . ?
C35 H38 0.9800 . ?
C36 H39 0.9800 . ?
C36 H40 0.9800 . ?
C36 H41 0.9800 . ?
C37 H42 0.9800 . ?
C37 H43 0.9800 . ?
C37 H44 0.9800 . ?
C38 H45 0.9800 . ?
C38 H46 0.9800 . ?
C38 H47 0.9800 . ?
C39 C44 1.413(16) . ?
C39 C40 1.442(15) . ?
C40 C41 1.412(18) . ?
C40 H48 0.9500 . ?
C41 C42 1.44(2) . ?
C41 H49 0.9500 . ?
C42 C43 1.41(2) . ?
C42 H50 0.9500 . ?
C43 C44 1.427(15) . ?
C43 H51 0.9500 . ?
C44 H52 0.9500 . ?
C45 C50 1.429(13) . ?
C45 C46 1.433(14) . ?
C46 C47 1.428(14) . ?
C46 H53 0.9500 . ?
C47 C48 1.420(16) . ?
C47 H54 0.9500 . ?
C48 C49 1.408(15) . ?
C48 H55 0.9500 . ?
C49 C50 1.398(14) . ?
C49 H56 0.9500 . ?
C50 H57 0.9500 . ?
C51 C52 1.416(13) . ?
C51 C56 1.420(14) . ?
C52 C53 1.414(14) . ?
C52 H58 0.9500 . ?
C53 C54 1.410(16) . ?
C53 H59 0.9500 . ?
C54 C55 1.423(15) . ?
C54 H60 0.9500 . ?
C55 C56 1.418(14) . ?
C55 H61 0.9500 . ?
C56 H62 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 C1 104.1(4) . . ?
N1 Ru1 C2 91.6(3) . . ?
C1 Ru1 C2 38.0(3) . . ?
N1 Ru1 C3 115.3(3) . . ?
C1 Ru1 C3 63.5(4) . . ?
C2 Ru1 C3 37.9(3) . . ?
N1 Ru1 C5 141.3(3) . . ?
C1 Ru1 C5 38.3(4) . . ?
C2 Ru1 C5 63.5(3) . . ?
C3 Ru1 C5 63.1(3) . . ?
N1 Ru1 C4 152.5(3) . . ?
C1 Ru1 C4 62.3(3) . . ?
C2 Ru1 C4 62.7(3) . . ?
C3 Ru1 C4 37.9(3) . . ?
C5 Ru1 C4 36.4(3) . . ?
N1 Ru1 P1 95.3(2) . . ?
C1 Ru1 P1 159.6(3) . . ?
C2 Ru1 P1 136.4(2) . . ?
C3 Ru1 P1 102.3(3) . . ?
C5 Ru1 P1 123.3(3) . . ?
C4 Ru1 P1 97.3(2) . . ?
N1 Ru1 Cl1 85.1(2) . . ?
C1 Ru1 Cl1 96.7(3) . . ?
C2 Ru1 Cl1 132.0(3) . . ?
C3 Ru1 Cl1 153.7(3) . . ?
C5 Ru1 Cl1 90.6(3) . . ?
C4 Ru1 Cl1 118.8(3) . . ?
P1 Ru1 Cl1 91.47(10) . . ?
N2 Ru2 C29 104.9(3) . . ?
N2 Ru2 C31 111.7(3) . . ?
C29 Ru2 C31 64.1(3) . . ?
N2 Ru2 C30 90.1(3) . . ?
C29 Ru2 C30 38.4(3) . . ?
C31 Ru2 C30 37.8(3) . . ?
N2 Ru2 C33 142.8(3) . . ?
C29 Ru2 C33 38.1(3) . . ?
C31 Ru2 C33 62.9(3) . . ?
C30 Ru2 C33 63.0(3) . . ?
N2 Ru2 C32 149.3(3) . . ?
C29 Ru2 C32 63.2(3) . . ?
C31 Ru2 C32 37.8(4) . . ?
C30 Ru2 C32 62.7(4) . . ?
C33 Ru2 C32 36.9(3) . . ?
N2 Ru2 P2 96.5(2) . . ?
C29 Ru2 P2 158.4(3) . . ?
C31 Ru2 P2 105.7(3) . . ?
C30 Ru2 P2 141.2(2) . . ?
C33 Ru2 P2 120.7(2) . . ?
C32 Ru2 P2 96.8(3) . . ?
N2 Ru2 Cl2 84.7(2) . . ?
C29 Ru2 Cl2 94.9(2) . . ?
C31 Ru2 Cl2 155.6(2) . . ?
C30 Ru2 Cl2 129.3(2) . . ?
C33 Ru2 Cl2 92.9(3) . . ?
C32 Ru2 Cl2 122.9(3) . . ?
P2 Ru2 Cl2 89.46(11) . . ?
C17 P1 C11 103.6(4) . . ?
C17 P1 C23 102.8(4) . . ?
C11 P1 C23 96.7(4) . . ?
C17 P1 Ru1 111.9(3) . . ?
C11 P1 Ru1 118.3(4) . . ?
C23 P1 Ru1 120.8(3) . . ?
C45 P2 C51 102.5(4) . . ?
C45 P2 C39 103.6(4) . . ?
C51 P2 C39 97.9(4) . . ?
C45 P2 Ru2 114.8(3) . . ?
C51 P2 Ru2 119.7(3) . . ?
C39 P2 Ru2 115.8(4) . . ?
N2 N1 Ru1 131.8(6) . . ?
N2 N1 H1 114.1 . . ?
Ru1 N1 H1 114.1 . . ?
N1 N2 Ru2 131.5(6) . . ?
N1 N2 H2 114.3 . . ?
Ru2 N2 H2 114.3 . . ?
C2 C1 C5 107.9(8) . . ?
C2 C1 C6 126.2(9) . . ?
C5 C1 C6 125.7(9) . . ?
C2 C1 Ru1 71.5(5) . . ?
C5 C1 Ru1 71.7(5) . . ?
C6 C1 Ru1 126.0(7) . . ?
C3 C2 C1 107.7(8) . . ?
C3 C2 C7 126.2(9) . . ?
C1 C2 C7 126.0(9) . . ?
C3 C2 Ru1 71.1(5) . . ?
C1 C2 Ru1 70.5(5) . . ?
C7 C2 Ru1 126.6(6) . . ?
C2 C3 C4 107.0(8) . . ?
C2 C3 C8 125.1(9) . . ?
C4 C3 C8 126.3(9) . . ?
C2 C3 Ru1 71.0(5) . . ?
C4 C3 Ru1 71.9(5) . . ?
C8 C3 Ru1 133.6(7) . . ?
C5 C4 C3 109.7(8) . . ?
C5 C4 C9 126.5(9) . . ?
C3 C4 C9 123.7(9) . . ?
C5 C4 Ru1 71.2(6) . . ?
C3 C4 Ru1 70.2(5) . . ?
C9 C4 Ru1 128.4(6) . . ?
C4 C5 C1 107.7(9) . . ?
C4 C5 C10 128.1(10) . . ?
C1 C5 C10 124.0(9) . . ?
C4 C5 Ru1 72.4(6) . . ?
C1 C5 Ru1 70.0(5) . . ?
C10 C5 Ru1 127.6(7) . . ?
C1 C6 H3 109.5 . . ?
C1 C6 H4 109.5 . . ?
H3 C6 H4 109.5 . . ?
C1 C6 H5 109.5 . . ?
H3 C6 H5 109.5 . . ?
H4 C6 H5 109.5 . . ?
C2 C7 H6 109.5 . . ?
C2 C7 H7 109.5 . . ?
H6 C7 H7 109.5 . . ?
C2 C7 H8 109.5 . . ?
H6 C7 H8 109.5 . . ?
H7 C7 H8 109.5 . . ?
C3 C8 H9 109.5 . . ?
C3 C8 H10 109.5 . . ?
H9 C8 H10 109.5 . . ?
C3 C8 H11 109.5 . . ?
H9 C8 H11 109.5 . . ?
H10 C8 H11 109.5 . . ?
C4 C9 H12 109.5 . . ?
C4 C9 H13 109.5 . . ?
H12 C9 H13 109.5 . . ?
C4 C9 H14 109.5 . . ?
H12 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
C5 C10 H15 109.5 . . ?
C5 C10 H16 109.5 . . ?
H15 C10 H16 109.5 . . ?
C5 C10 H17 109.5 . . ?
H15 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
C12 C11 C16 118.7(9) . . ?
C12 C11 P1 122.1(8) . . ?
C16 C11 P1 119.1(7) . . ?
C13 C12 C11 121.3(11) . . ?
C13 C12 H18 119.4 . . ?
C11 C12 H18 119.4 . . ?
C12 C13 C14 120.8(10) . . ?
C12 C13 H19 119.6 . . ?
C14 C13 H19 119.6 . . ?
C13 C14 C15 119.2(9) . . ?
C13 C14 H20 120.4 . . ?
C15 C14 H20 120.4 . . ?
C14 C15 C16 120.2(10) . . ?
C14 C15 H21 119.9 . . ?
C16 C15 H21 119.9 . . ?
C11 C16 C15 119.8(9) . . ?
C11 C16 H22 120.1 . . ?
C15 C16 H22 120.1 . . ?
C18 C17 C22 117.6(8) . . ?
C18 C17 P1 124.2(7) . . ?
C22 C17 P1 118.0(7) . . ?
C17 C18 C19 121.4(9) . . ?
C17 C18 H23 119.3 . . ?
C19 C18 H23 119.3 . . ?
C20 C19 C18 120.1(9) . . ?
C20 C19 H24 119.9 . . ?
C18 C19 H24 119.9 . . ?
C19 C20 C21 120.0(9) . . ?
C19 C20 H25 120.0 . . ?
C21 C20 H25 120.0 . . ?
C22 C21 C20 119.1(9) . . ?
C22 C21 H26 120.5 . . ?
C20 C21 H26 120.5 . . ?
C21 C22 C17 121.7(9) . . ?
C21 C22 H27 119.1 . . ?
C17 C22 H27 119.1 . . ?
C28 C23 C24 118.3(8) . . ?
C28 C23 P1 124.9(7) . . ?
C24 C23 P1 116.7(7) . . ?
C25 C24 C23 121.3(9) . . ?
C25 C24 H28 119.4 . . ?
C23 C24 H28 119.4 . . ?
C24 C25 C26 119.6(9) . . ?
C24 C25 H29 120.2 . . ?
C26 C25 H29 120.2 . . ?
C27 C26 C25 119.7(9) . . ?
C27 C26 H30 120.1 . . ?
C25 C26 H30 120.1 . . ?
C26 C27 C28 120.4(9) . . ?
C26 C27 H31 119.8 . . ?
C28 C27 H31 119.8 . . ?
C27 C28 C23 120.7(9) . . ?
C27 C28 H32 119.6 . . ?
C23 C28 H32 119.6 . . ?
C33 C29 C30 106.6(8) . . ?
C33 C29 C34 126.7(8) . . ?
C30 C29 C34 126.5(8) . . ?
C33 C29 Ru2 71.9(5) . . ?
C30 C29 Ru2 71.7(5) . . ?
C34 C29 Ru2 124.4(6) . . ?
C31 C30 C29 108.3(8) . . ?
C31 C30 C35 125.8(8) . . ?
C29 C30 C35 125.9(8) . . ?
C31 C30 Ru2 71.0(5) . . ?
C29 C30 Ru2 69.9(5) . . ?
C35 C30 Ru2 127.6(6) . . ?
C30 C31 C32 107.4(8) . . ?
C30 C31 C36 124.4(9) . . ?
C32 C31 C36 126.7(9) . . ?
C30 C31 Ru2 71.2(5) . . ?
C32 C31 Ru2 72.0(5) . . ?
C36 C31 Ru2 133.1(6) . . ?
C33 C32 C31 108.4(8) . . ?
C33 C32 C37 125.8(9) . . ?
C31 C32 C37 125.4(9) . . ?
C33 C32 Ru2 70.8(5) . . ?
C31 C32 Ru2 70.2(5) . . ?
C37 C32 Ru2 130.7(7) . . ?
C32 C33 C29 109.2(8) . . ?
C32 C33 C38 125.7(9) . . ?
C29 C33 C38 124.7(8) . . ?
C32 C33 Ru2 72.3(5) . . ?
C29 C33 Ru2 70.0(5) . . ?
C38 C33 Ru2 129.4(7) . . ?
C29 C34 H33 109.5 . . ?
C29 C34 H34 109.5 . . ?
H33 C34 H34 109.5 . . ?
C29 C34 H35 109.5 . . ?
H33 C34 H35 109.5 . . ?
H34 C34 H35 109.5 . . ?
C30 C35 H36 109.5 . . ?
C30 C35 H37 109.5 . . ?
H36 C35 H37 109.5 . . ?
C30 C35 H38 109.5 . . ?
H36 C35 H38 109.5 . . ?
H37 C35 H38 109.5 . . ?
C31 C36 H39 109.5 . . ?
C31 C36 H40 109.5 . . ?
H39 C36 H40 109.5 . . ?
C31 C36 H41 109.5 . . ?
H39 C36 H41 109.5 . . ?
H40 C36 H41 109.5 . . ?
C32 C37 H42 109.5 . . ?
C32 C37 H43 109.5 . . ?
H42 C37 H43 109.5 . . ?
C32 C37 H44 109.5 . . ?
H42 C37 H44 109.5 . . ?
H43 C37 H44 109.5 . . ?
C33 C38 H45 109.5 . . ?
C33 C38 H46 109.5 . . ?
H45 C38 H46 109.5 . . ?
C33 C38 H47 109.5 . . ?
H45 C38 H47 109.5 . . ?
H46 C38 H47 109.5 . . ?
C44 C39 C40 119.3(10) . . ?
C44 C39 P2 119.2(8) . . ?
C40 C39 P2 121.4(9) . . ?
C41 C40 C39 119.8(13) . . ?
C41 C40 H48 120.1 . . ?
C39 C40 H48 120.1 . . ?
C40 C41 C42 120.3(12) . . ?
C40 C41 H49 119.8 . . ?
C42 C41 H49 119.8 . . ?
C43 C42 C41 119.9(11) . . ?
C43 C42 H50 120.1 . . ?
C41 C42 H50 120.1 . . ?
C42 C43 C44 119.6(12) . . ?
C42 C43 H51 120.2 . . ?
C44 C43 H51 120.2 . . ?
C39 C44 C43 121.1(12) . . ?
C39 C44 H52 119.4 . . ?
C43 C44 H52 119.4 . . ?
C50 C45 C46 118.3(9) . . ?
C50 C45 P2 117.4(7) . . ?
C46 C45 P2 124.2(8) . . ?
C47 C46 C45 120.1(10) . . ?
C47 C46 H53 120.0 . . ?
C45 C46 H53 120.0 . . ?
C48 C47 C46 120.1(9) . . ?
C48 C47 H54 119.9 . . ?
C46 C47 H54 119.9 . . ?
C49 C48 C47 119.5(9) . . ?
C49 C48 H55 120.2 . . ?
C47 C48 H55 120.2 . . ?
C50 C49 C48 120.8(10) . . ?
C50 C49 H56 119.6 . . ?
C48 C49 H56 119.6 . . ?
C49 C50 C45 121.1(9) . . ?
C49 C50 H57 119.5 . . ?
C45 C50 H57 119.5 . . ?
C52 C51 C56 118.3(9) . . ?
C52 C51 P2 117.5(7) . . ?
C56 C51 P2 124.1(7) . . ?
C53 C52 C51 121.4(9) . . ?
C53 C52 H58 119.3 . . ?
C51 C52 H58 119.3 . . ?
C54 C53 C52 120.2(10) . . ?
C54 C53 H59 119.9 . . ?
C52 C53 H59 119.9 . . ?
C53 C54 C55 119.0(9) . . ?
C53 C54 H60 120.5 . . ?
C55 C54 H60 120.5 . . ?
C56 C55 C54 120.5(10) . . ?
C56 C55 H61 119.8 . . ?
C54 C55 H61 119.8 . . ?
C55 C56 C51 120.5(9) . . ?
C55 C56 H62 119.8 . . ?
C51 C56 H62 119.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N1 N2 Ru2 150.1(5) . . . . ?
C5 C1 C2 C3 1.1(10) . . . . ?
C6 C1 C2 C3 176.7(9) . . . . ?
Ru1 C1 C2 C3 -61.7(6) . . . . ?
C5 C1 C2 C7 -175.6(9) . . . . ?
C6 C1 C2 C7 0.1(15) . . . . ?
Ru1 C1 C2 C7 121.6(9) . . . . ?
C5 C1 C2 Ru1 62.8(6) . . . . ?
C6 C1 C2 Ru1 -121.5(9) . . . . ?
C1 C2 C3 C4 -2.0(10) . . . . ?
C7 C2 C3 C4 174.6(8) . . . . ?
Ru1 C2 C3 C4 -63.4(6) . . . . ?
C1 C2 C3 C8 -168.2(9) . . . . ?
C7 C2 C3 C8 8.5(15) . . . . ?
Ru1 C2 C3 C8 130.5(9) . . . . ?
C1 C2 C3 Ru1 61.4(6) . . . . ?
C7 C2 C3 Ru1 -122.0(9) . . . . ?
C2 C3 C4 C5 2.3(10) . . . . ?
C8 C3 C4 C5 168.2(9) . . . . ?
Ru1 C3 C4 C5 -60.5(7) . . . . ?
C2 C3 C4 C9 -173.7(8) . . . . ?
C8 C3 C4 C9 -7.7(15) . . . . ?
Ru1 C3 C4 C9 123.6(9) . . . . ?
C2 C3 C4 Ru1 62.8(6) . . . . ?
C8 C3 C4 Ru1 -131.3(9) . . . . ?
C3 C4 C5 C1 -1.6(11) . . . . ?
C9 C4 C5 C1 174.2(9) . . . . ?
Ru1 C4 C5 C1 -61.5(6) . . . . ?
C3 C4 C5 C10 -175.7(9) . . . . ?
C9 C4 C5 C10 0.0(17) . . . . ?
Ru1 C4 C5 C10 124.4(10) . . . . ?
C3 C4 C5 Ru1 59.9(7) . . . . ?
C9 C4 C5 Ru1 -124.3(10) . . . . ?
C2 C1 C5 C4 0.3(10) . . . . ?
C6 C1 C5 C4 -175.4(9) . . . . ?
Ru1 C1 C5 C4 63.0(7) . . . . ?
C2 C1 C5 C10 174.8(9) . . . . ?
C6 C1 C5 C10 -0.9(15) . . . . ?
Ru1 C1 C5 C10 -122.6(10) . . . . ?
C2 C1 C5 Ru1 -62.7(6) . . . . ?
C6 C1 C5 Ru1 121.6(9) . . . . ?
C17 P1 C11 C12 -53.4(9) . . . . ?
C23 P1 C11 C12 51.6(9) . . . . ?
Ru1 P1 C11 C12 -178.0(7) . . . . ?
C17 P1 C11 C16 131.3(8) . . . . ?
C23 P1 C11 C16 -123.7(8) . . . . ?
Ru1 P1 C11 C16 6.7(9) . . . . ?
C16 C11 C12 C13 -0.5(15) . . . . ?
P1 C11 C12 C13 -175.8(8) . . . . ?
C11 C12 C13 C14 -0.2(17) . . . . ?
C12 C13 C14 C15 1.5(17) . . . . ?
C13 C14 C15 C16 -2.1(16) . . . . ?
C12 C11 C16 C15 -0.1(14) . . . . ?
P1 C11 C16 C15 175.3(7) . . . . ?
C14 C15 C16 C11 1.5(15) . . . . ?
C11 P1 C17 C18 -17.3(9) . . . . ?
C23 P1 C17 C18 -117.6(8) . . . . ?
Ru1 P1 C17 C18 111.3(8) . . . . ?
C11 P1 C17 C22 167.9(7) . . . . ?
C23 P1 C17 C22 67.7(8) . . . . ?
Ru1 P1 C17 C22 -63.5(8) . . . . ?
C22 C17 C18 C19 -0.2(14) . . . . ?
P1 C17 C18 C19 -175.0(7) . . . . ?
C17 C18 C19 C20 -1.8(15) . . . . ?
C18 C19 C20 C21 1.3(15) . . . . ?
C19 C20 C21 C22 1.1(14) . . . . ?
C20 C21 C22 C17 -3.1(14) . . . . ?
C18 C17 C22 C21 2.7(14) . . . . ?
P1 C17 C22 C21 177.8(7) . . . . ?
C28 C23 C24 C25 2.1(14) . . . . ?
P1 C23 C24 C25 -174.7(8) . . . . ?
C23 C24 C25 C26 -1.6(15) . . . . ?
C24 C25 C26 C27 0.1(14) . . . . ?
C25 C26 C27 C28 0.8(14) . . . . ?
C26 C27 C28 C23 -0.3(14) . . . . ?
C24 C23 C28 C27 -1.1(14) . . . . ?
P1 C23 C28 C27 175.4(7) . . . . ?
C33 C29 C30 C31 2.9(9) . . . . ?
C34 C29 C30 C31 179.4(8) . . . . ?
Ru2 C29 C30 C31 -60.9(6) . . . . ?
C33 C29 C30 C35 -173.7(8) . . . . ?
C34 C29 C30 C35 2.8(14) . . . . ?
Ru2 C29 C30 C35 122.5(9) . . . . ?
C33 C29 C30 Ru2 63.8(6) . . . . ?
C34 C29 C30 Ru2 -119.7(9) . . . . ?
C29 C30 C31 C32 -3.1(10) . . . . ?
C35 C30 C31 C32 173.5(8) . . . . ?
Ru2 C30 C31 C32 -63.3(6) . . . . ?
C29 C30 C31 C36 -169.8(8) . . . . ?
C35 C30 C31 C36 6.8(14) . . . . ?
Ru2 C30 C31 C36 130.0(8) . . . . ?
C29 C30 C31 Ru2 60.3(6) . . . . ?
C35 C30 C31 Ru2 -123.1(9) . . . . ?
C30 C31 C32 C33 2.0(10) . . . . ?
C36 C31 C32 C33 168.3(8) . . . . ?
Ru2 C31 C32 C33 -60.8(7) . . . . ?
C30 C31 C32 C37 -170.7(9) . . . . ?
C36 C31 C32 C37 -4.4(15) . . . . ?
Ru2 C31 C32 C37 126.5(9) . . . . ?
C30 C31 C32 Ru2 62.8(6) . . . . ?
C36 C31 C32 Ru2 -130.9(9) . . . . ?
C31 C32 C33 C29 -0.2(10) . . . . ?
C37 C32 C33 C29 172.5(9) . . . . ?
Ru2 C32 C33 C29 -60.6(6) . . . . ?
C31 C32 C33 C38 -173.3(9) . . . . ?
C37 C32 C33 C38 -0.6(16) . . . . ?
Ru2 C32 C33 C38 126.3(10) . . . . ?
C31 C32 C33 Ru2 60.4(6) . . . . ?
C37 C32 C33 Ru2 -126.9(10) . . . . ?
C30 C29 C33 C32 -1.7(10) . . . . ?
C34 C29 C33 C32 -178.1(9) . . . . ?
Ru2 C29 C33 C32 62.1(6) . . . . ?
C30 C29 C33 C38 171.5(9) . . . . ?
C34 C29 C33 C38 -4.9(15) . . . . ?
Ru2 C29 C33 C38 -124.7(9) . . . . ?
C30 C29 C33 Ru2 -63.7(6) . . . . ?
C34 C29 C33 Ru2 119.8(9) . . . . ?
C45 P2 C39 C44 122.1(8) . . . . ?
C51 P2 C39 C44 -132.9(8) . . . . ?
Ru2 P2 C39 C44 -4.5(9) . . . . ?
C45 P2 C39 C40 -62.7(9) . . . . ?
C51 P2 C39 C40 42.3(9) . . . . ?
Ru2 P2 C39 C40 170.8(7) . . . . ?
C44 C39 C40 C41 -0.4(15) . . . . ?
P2 C39 C40 C41 -175.7(9) . . . . ?
C39 C40 C41 C42 0.5(17) . . . . ?
C40 C41 C42 C43 -1.9(18) . . . . ?
C41 C42 C43 C44 3.2(16) . . . . ?
C40 C39 C44 C43 1.7(14) . . . . ?
P2 C39 C44 C43 177.1(7) . . . . ?
C42 C43 C44 C39 -3.2(15) . . . . ?
C51 P2 C45 C50 70.7(8) . . . . ?
C39 P2 C45 C50 172.2(7) . . . . ?
Ru2 P2 C45 C50 -60.6(8) . . . . ?
C51 P2 C45 C46 -112.2(9) . . . . ?
C39 P2 C45 C46 -10.7(10) . . . . ?
Ru2 P2 C45 C46 116.5(8) . . . . ?
C50 C45 C46 C47 -0.4(14) . . . . ?
P2 C45 C46 C47 -177.5(7) . . . . ?
C45 C46 C47 C48 -1.5(15) . . . . ?
C46 C47 C48 C49 0.9(15) . . . . ?
C47 C48 C49 C50 1.8(14) . . . . ?
C48 C49 C50 C45 -3.8(14) . . . . ?
C46 C45 C50 C49 3.1(14) . . . . ?
P2 C45 C50 C49 -179.7(7) . . . . ?
C45 P2 C51 C52 158.9(8) . . . . ?
C39 P2 C51 C52 53.0(8) . . . . ?
Ru2 P2 C51 C52 -72.8(8) . . . . ?
C45 P2 C51 C56 -18.6(9) . . . . ?
C39 P2 C51 C56 -124.5(8) . . . . ?
Ru2 P2 C51 C56 109.7(8) . . . . ?
C56 C51 C52 C53 2.3(14) . . . . ?
P2 C51 C52 C53 -175.4(8) . . . . ?
C51 C52 C53 C54 -0.5(16) . . . . ?
C52 C53 C54 C55 -3.1(16) . . . . ?
C53 C54 C55 C56 4.9(16) . . . . ?
C54 C55 C56 C51 -3.2(15) . . . . ?
C52 C51 C56 C55 -0.4(14) . . . . ?
P2 C51 C56 C55 177.1(8) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 Cl2 . . . 3.162(8) 0.880 2.775 108.1 no


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: THF/hexane'
