# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_14A0037
_database_code_depnum_ccdc_archive 'CCDC 998328'
_audit_update_record             
;
2015-05-29 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
#--------------------------------------------------------------
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H52 Cl6 N O8 Ru2'
_chemical_formula_weight         921.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9262(14)
_cell_length_b                   12.4678(15)
_cell_length_c                   13.3115(16)
_cell_angle_alpha                76.860(2)
_cell_angle_beta                 82.601(2)
_cell_angle_gamma                86.546(2)
_cell_volume                     1910.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            reddish-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_F_000             938
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.530
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.252
_shelx_estimated_absorpt_T_min   0.520
_shelx_estimated_absorpt_T_max   0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5205
_exptl_absorpt_correction_T_max  0.7052
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11700
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_av_R_equivalents  0.0138
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.582
_diffrn_reflns_theta_max         28.309
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.879
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.879
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.879
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             8366
_reflns_number_gt                7251
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXL'
_computing_publication_material  'Bruker SHELXL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0559P)²+0.9300P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8366
_refine_ls_number_parameters     438
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0832
_refine_ls_wR_factor_gt          0.0807
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_restrained_S_all      0.908
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.91077(2) 0.03982(2) -0.00583(2) 0.01553(6) Uani 1 1 d . . . . .
Ru2 Ru 0.52503(2) 0.58713(2) 0.50189(2) 0.01932(6) Uani 1 1 d . . . . .
Cl1 Cl 0.71997(5) 0.13754(5) -0.02598(5) 0.01995(12) Uani 1 1 d . . . . .
Cl2 Cl 0.57687(6) 0.78169(5) 0.49501(5) 0.03128(16) Uani 1 1 d . . . . .
O1 O 0.86858(14) -0.08267(14) -0.07015(13) 0.0194(3) Uani 1 1 d . . . . .
O2 O 0.95759(14) 0.15970(14) 0.05953(13) 0.0199(4) Uani 1 1 d . . . . .
O3 O 0.85867(14) -0.05424(13) 0.13652(13) 0.0189(3) Uani 1 1 d . . . . .
O4 O 0.96743(14) 0.13067(14) -0.14817(13) 0.0191(3) Uani 1 1 d . . . . .
O5 O 0.67326(15) 0.56326(15) 0.41515(14) 0.0257(4) Uani 1 1 d . . . . .
O6 O 0.37670(16) 0.60577(15) 0.58978(14) 0.0258(4) Uani 1 1 d . . . . .
O7 O 0.59934(15) 0.52367(14) 0.63269(14) 0.0234(4) Uani 1 1 d . . . . .
O8 O 0.44945(15) 0.64560(14) 0.37211(14) 0.0231(4) Uani 1 1 d . . . . .
C1 C 0.9420(2) -0.1575(2) -0.08320(19) 0.0202(5) Uani 1 1 d . . . . .
C2 C 0.9093(2) -0.2484(2) -0.1296(2) 0.0279(6) Uani 1 1 d . . . . .
H2A H 0.8351 -0.2749 -0.0960 0.042 Uiso 1 1 calc R U . . .
H2B H 0.9657 -0.3092 -0.1190 0.042 Uiso 1 1 calc R U . . .
H2C H 0.9059 -0.2206 -0.2042 0.042 Uiso 1 1 calc R U . . .
C3 C 0.9300(2) -0.1197(2) 0.18457(19) 0.0192(5) Uani 1 1 d . . . . .
C4 C 0.8923(2) -0.1876(2) 0.2907(2) 0.0247(5) Uani 1 1 d . . . . .
H4A H 0.9107 -0.1502 0.3435 0.037 Uiso 1 1 calc R U . . .
H4B H 0.9312 -0.2600 0.2998 0.037 Uiso 1 1 calc R U . . .
H4C H 0.8104 -0.1968 0.2982 0.037 Uiso 1 1 calc R U . . .
C5 C 0.6926(2) 0.4724(2) 0.3869(2) 0.0272(6) Uani 1 1 d . . . . .
C6 C 0.8027(3) 0.4558(3) 0.3239(3) 0.0454(8) Uani 1 1 d . . . . .
H6A H 0.8421 0.5256 0.3024 0.068 Uiso 1 1 calc R U . . .
H6B H 0.7886 0.4306 0.2623 0.068 Uiso 1 1 calc R U . . .
H6C H 0.8496 0.4004 0.3658 0.068 Uiso 1 1 calc R U . . .
C7 C 0.5964(2) 0.4200(2) 0.6699(2) 0.0232(5) Uani 1 1 d . . . . .
C8 C 0.6482(3) 0.3733(2) 0.7680(2) 0.0318(6) Uani 1 1 d . . . . .
H8A H 0.6453 0.2927 0.7840 0.048 Uiso 1 1 calc R U . . .
H8B H 0.6061 0.4017 0.8252 0.048 Uiso 1 1 calc R U . . .
H8C H 0.7272 0.3949 0.7590 0.048 Uiso 1 1 calc R U . . .
N1 N 0.5326(2) 0.95696(19) 0.7608(2) 0.0341(6) Uani 1 1 d . . . . .
C9A C 0.6299(3) 1.0105(3) 0.6806(3) 0.0226(10) Uani 0.648(6) 1 d . . P A 1
H9AA H 0.6485 0.9664 0.6271 0.027 Uiso 0.648(6) 1 calc R U P A 1
H9AB H 0.6054 1.0854 0.6455 0.027 Uiso 0.648(6) 1 calc R U P A 1
C10A C 0.7337(4) 1.0175(4) 0.7322(3) 0.0316(12) Uani 0.648(6) 1 d . . P A 1
H10A H 0.7640 0.9428 0.7616 0.038 Uiso 0.648(6) 1 calc R U P A 1
H10B H 0.7156 1.0575 0.7888 0.038 Uiso 0.648(6) 1 calc R U P A 1
C9B C 0.6645(6) 0.9831(5) 0.7338(6) 0.0136(16) Uiso 0.352(6) 1 d . . P A 2
H9BA H 0.7008 0.9666 0.7986 0.016 Uiso 0.352(6) 1 calc R U P A 2
H9BB H 0.7014 0.9352 0.6883 0.016 Uiso 0.352(6) 1 calc R U P A 2
C10B C 0.6808(5) 1.1022(5) 0.6799(5) 0.0171(17) Uiso 0.352(6) 1 d . . P A 2
H10C H 0.6653 1.1530 0.7277 0.021 Uiso 0.352(6) 1 calc R U P A 2
H10D H 0.6370 1.1262 0.6198 0.021 Uiso 0.352(6) 1 calc R U P A 2
C11 C 0.8229(3) 1.0822(5) 0.6437(3) 0.0745(16) Uani 1 1 d . . . . .
H11A H 0.8975 1.0644 0.6697 0.089 Uiso 1 1 calc R U . A 1
H11B H 0.8241 1.0466 0.5842 0.089 Uiso 1 1 calc R U . A 1
C12 C 0.8216(3) 1.2037(5) 0.5981(4) 0.0836(18) Uani 1 1 d . . . . .
H12A H 0.8866 1.2214 0.5448 0.125 Uiso 1 1 calc R U . . .
H12B H 0.7515 1.2256 0.5665 0.125 Uiso 1 1 calc R U . . .
H12C H 0.8257 1.2436 0.6529 0.125 Uiso 1 1 calc R U . . .
C13 C 0.4518(3) 0.9540(2) 0.6834(2) 0.0356(7) Uani 1 1 d . . . . .
H13A H 0.4896 0.9126 0.6325 0.043 Uiso 1 1 calc R U . . .
H13B H 0.4378 1.0305 0.6450 0.043 Uiso 1 1 calc R U . . .
C14 C 0.3387(3) 0.9035(2) 0.7264(2) 0.0307(6) Uani 1 1 d . . . . .
H14A H 0.3002 0.9416 0.7795 0.037 Uiso 1 1 calc R U . . .
H14B H 0.3498 0.8247 0.7595 0.037 Uiso 1 1 calc R U . . .
C15 C 0.2668(3) 0.9150(3) 0.6377(2) 0.0501(9) Uani 1 1 d . . . . .
H15A H 0.2618 0.9936 0.6017 0.060 Uiso 1 1 calc R U . . .
H15B H 0.3046 0.8735 0.5870 0.060 Uiso 1 1 calc R U . . .
C16 C 0.1484(3) 0.8735(3) 0.6733(3) 0.0508(9) Uani 1 1 d . . . . .
H16A H 0.1064 0.8830 0.6131 0.076 Uiso 1 1 calc R U . . .
H16B H 0.1525 0.7952 0.7075 0.076 Uiso 1 1 calc R U . . .
H16C H 0.1096 0.9154 0.7223 0.076 Uiso 1 1 calc R U . . .
C17 C 0.5533(2) 0.8433(2) 0.8271(2) 0.0317(6) Uani 1 1 d . . . . .
H17A H 0.4803 0.8171 0.8668 0.038 Uiso 1 1 calc R U . . .
H17B H 0.6044 0.8502 0.8781 0.038 Uiso 1 1 calc R U . . .
C18 C 0.6037(2) 0.7557(2) 0.7702(3) 0.0365(7) Uani 1 1 d . . . . .
H18A H 0.6836 0.7718 0.7432 0.044 Uiso 1 1 calc R U . . .
H18B H 0.5617 0.7566 0.7105 0.044 Uiso 1 1 calc R U . . .
C19 C 0.5973(3) 0.6422(3) 0.8434(3) 0.0450(8) Uani 1 1 d . . . . .
H19A H 0.6250 0.6462 0.9094 0.054 Uiso 1 1 calc R U . . .
H19B H 0.6477 0.5897 0.8118 0.054 Uiso 1 1 calc R U . . .
C20 C 0.4778(3) 0.5986(3) 0.8670(3) 0.0529(9) Uani 1 1 d . . . . .
H20A H 0.4785 0.5258 0.9142 0.079 Uiso 1 1 calc R U . . .
H20B H 0.4277 0.6493 0.8998 0.079 Uiso 1 1 calc R U . . .
H20C H 0.4504 0.5928 0.8022 0.079 Uiso 1 1 calc R U . . .
C21 C 0.4867(2) 1.0267(2) 0.8384(2) 0.0326(7) Uani 1 1 d . . . . .
H21A H 0.4323 0.9822 0.8918 0.039 Uiso 1 1 calc R U . . .
H21B H 0.5505 1.0409 0.8740 0.039 Uiso 1 1 calc R U . . .
C22 C 0.4290(2) 1.1361(2) 0.7972(2) 0.0295(6) Uani 1 1 d . . . . .
H22A H 0.3617 1.1248 0.7648 0.035 Uiso 1 1 calc R U . . .
H22B H 0.4814 1.1834 0.7440 0.035 Uiso 1 1 calc R U . . .
C23 C 0.3936(2) 1.1914(2) 0.8889(2) 0.0299(6) Uani 1 1 d . . . . .
H23A H 0.3456 1.1408 0.9435 0.036 Uiso 1 1 calc R U . . .
H23B H 0.4620 1.2043 0.9189 0.036 Uiso 1 1 calc R U . . .
C24 C 0.3287(3) 1.3007(2) 0.8576(3) 0.0348(7) Uani 1 1 d . . . . .
H24A H 0.3081 1.3325 0.9186 0.052 Uiso 1 1 calc R U . . .
H24B H 0.3764 1.3517 0.8047 0.052 Uiso 1 1 calc R U . . .
H24C H 0.2600 1.2882 0.8293 0.052 Uiso 1 1 calc R U . . .
C25 C 0.1702(3) 0.3335(4) 0.4351(3) 0.0606(12) Uani 1 1 d . . . . .
H25A H 0.2356 0.3254 0.4754 0.073 Uiso 1 1 calc R U . B 3
H25B H 0.1991 0.3685 0.3626 0.073 Uiso 1 1 calc R U . B 3
Cl3A Cl 0.06942(16) 0.44281(17) 0.48476(17) 0.0584(5) Uani 0.5 1 d . . P C 3
Cl4A Cl 0.13319(14) 0.18392(14) 0.43232(13) 0.0286(3) Uani 0.5 1 d . . P C 3
Cl3B Cl 0.10992(13) 0.41646(14) 0.33398(14) 0.0440(4) Uani 0.5 1 d . . P C 4
Cl4B Cl 0.09572(19) 0.2400(2) 0.41351(16) 0.0552(5) Uani 0.5 1 d . . P C 4
C26 C 0.1304(4) 0.6084(3) 0.0640(3) 0.0645(13) Uani 1 1 d . . . . .
H26A H 0.2031 0.6407 0.0679 0.077 Uiso 1 1 calc R U . D 5
H26B H 0.0764 0.6710 0.0449 0.077 Uiso 1 1 calc R U . D 5
Cl5A Cl 0.07873(12) 0.53446(13) 0.19814(13) 0.0433(5) Uani 0.534(2) 1 d . . P E
5
Cl6A Cl 0.15489(15) 0.53738(14) -0.05145(14) 0.0464(5) Uani 0.534(2) 1 d . . P
E 5
Cl5B Cl 0.00951(18) 0.59085(15) 0.12264(15) 0.0511(6) Uani 0.466(2) 1 d . . P E
6
Cl6B Cl 0.20628(19) 0.54810(15) -0.00390(16) 0.0460(5) Uani 0.466(2) 1 d . . P
E 6


_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 O4 2.0289(16) . ?
Ru1 O2 2.0296(17) . ?
Ru1 O1 2.0291(17) . ?
Ru1 O3 2.0312(16) . ?
Ru1 Ru1 2.3023(4) 2_755 ?
Ru1 Cl1 2.5315(6) . ?
Ru2 O8 2.0192(17) . ?
Ru2 O6 2.0232(19) . ?
Ru2 O5 2.0283(18) . ?
Ru2 O7 2.0321(17) . ?
Ru2 Ru2 2.3006(5) 2_666 ?
Ru2 Cl2 2.5179(7) . ?
O1 C1 1.267(3) . ?
O2 C1 1.274(3) 2_755 ?
O3 C3 1.272(3) . ?
O4 C3 1.268(3) 2_755 ?
O5 C5 1.272(3) . ?
O6 C5 1.274(3) 2_666 ?
O7 C7 1.276(3) . ?
O8 C7 1.273(3) 2_666 ?
C1 O2 1.274(3) 2_755 ?
C1 C2 1.501(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 O4 1.268(3) 2_755 ?
C3 C4 1.501(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 O6 1.274(3) 2_666 ?
C5 C6 1.494(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 O8 1.273(3) 2_666 ?
C7 C8 1.499(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
N1 C13 1.506(4) . ?
N1 C17 1.514(4) . ?
N1 C21 1.526(4) . ?
N1 C9A 1.545(4) . ?
N1 C9B 1.604(7) . ?
C9A C10A 1.507(6) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C10A C11 1.587(6) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C9B C10B 1.508(9) . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C10B C11 1.721(8) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11 C12 1.499(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.511(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.523(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.513(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.520(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.525(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.524(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.510(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.536(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.526(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 Cl4B 1.604(4) . ?
C25 Cl3B 1.710(4) . ?
C25 Cl3A 1.935(5) . ?
C25 Cl4A 1.952(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 Cl6B 1.489(5) . ?
C26 Cl5B 1.552(5) . ?
C26 Cl5A 1.859(4) . ?
C26 Cl6A 1.924(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Ru1 O2 89.44(7) . . ?
O4 Ru1 O1 90.81(7) . . ?
O2 Ru1 O1 178.19(6) . . ?
O4 Ru1 O3 178.15(6) . . ?
O2 Ru1 O3 90.95(7) . . ?
O1 Ru1 O3 88.75(7) . . ?
O4 Ru1 Ru1 88.94(5) . 2_755 ?
O2 Ru1 Ru1 88.73(5) . 2_755 ?
O1 Ru1 Ru1 89.49(5) . 2_755 ?
O3 Ru1 Ru1 89.26(5) . 2_755 ?
O4 Ru1 Cl1 87.96(5) . . ?
O2 Ru1 Cl1 89.68(5) . . ?
O1 Ru1 Cl1 92.11(5) . . ?
O3 Ru1 Cl1 93.85(5) . . ?
Ru1 Ru1 Cl1 176.533(18) 2_755 . ?
O8 Ru2 O6 89.82(7) . . ?
O8 Ru2 O5 90.78(7) . . ?
O6 Ru2 O5 178.21(7) . . ?
O8 Ru2 O7 178.26(7) . . ?
O6 Ru2 O7 89.99(7) . . ?
O5 Ru2 O7 89.36(7) . . ?
O8 Ru2 Ru2 88.57(5) . 2_666 ?
O6 Ru2 Ru2 89.31(5) . 2_666 ?
O5 Ru2 Ru2 89.02(5) . 2_666 ?
O7 Ru2 Ru2 89.70(5) . 2_666 ?
O8 Ru2 Cl2 88.08(5) . . ?
O6 Ru2 Cl2 91.49(6) . . ?
O5 Ru2 Cl2 90.22(6) . . ?
O7 Ru2 Cl2 93.65(5) . . ?
Ru2 Ru2 Cl2 176.55(2) 2_666 . ?
C1 O1 Ru1 118.78(16) . . ?
C1 O2 Ru1 119.36(16) 2_755 . ?
C3 O3 Ru1 118.82(15) . . ?
C3 O4 Ru1 119.36(15) 2_755 . ?
C5 O5 Ru2 119.16(17) . . ?
C5 O6 Ru2 119.07(17) 2_666 . ?
C7 O7 Ru2 118.44(16) . . ?
C7 O8 Ru2 120.32(16) 2_666 . ?
O1 C1 O2 123.6(2) . 2_755 ?
O1 C1 C2 118.3(2) . . ?
O2 C1 C2 118.1(2) 2_755 . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 O4 123.6(2) . 2_755 ?
O3 C3 C4 118.9(2) . . ?
O4 C3 C4 117.5(2) 2_755 . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O5 C5 O6 123.4(2) . 2_666 ?
O5 C5 C6 118.4(3) . . ?
O6 C5 C6 118.1(3) 2_666 . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O8 C7 O7 123.0(2) 2_666 . ?
O8 C7 C8 118.4(2) 2_666 . ?
O7 C7 C8 118.6(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 N1 C17 111.4(2) . . ?
C13 N1 C21 112.7(2) . . ?
C17 N1 C21 104.6(2) . . ?
C13 N1 C9A 96.2(2) . . ?
C17 N1 C9A 118.5(2) . . ?
C21 N1 C9A 113.6(2) . . ?
C13 N1 C9B 125.9(3) . . ?
C17 N1 C9B 94.1(3) . . ?
C21 N1 C9B 105.1(3) . . ?
C10A C9A N1 111.0(3) . . ?
C10A C9A H9AA 109.4 . . ?
N1 C9A H9AA 109.4 . . ?
C10A C9A H9AB 109.4 . . ?
N1 C9A H9AB 109.4 . . ?
H9AA C9A H9AB 108.0 . . ?
C9A C10A C11 105.8(3) . . ?
C9A C10A H10A 110.6 . . ?
C11 C10A H10A 110.6 . . ?
C9A C10A H10B 110.6 . . ?
C11 C10A H10B 110.6 . . ?
H10A C10A H10B 108.7 . . ?
C10B C9B N1 110.9(5) . . ?
C10B C9B H9BA 109.5 . . ?
N1 C9B H9BA 109.5 . . ?
C10B C9B H9BB 109.5 . . ?
N1 C9B H9BB 109.5 . . ?
H9BA C9B H9BB 108.0 . . ?
C9B C10B C11 93.6(5) . . ?
C9B C10B H10C 113.0 . . ?
C11 C10B H10C 113.0 . . ?
C9B C10B H10D 113.0 . . ?
C11 C10B H10D 113.0 . . ?
H10C C10B H10D 110.4 . . ?
C12 C11 C10A 126.7(4) . . ?
C12 C11 C10B 85.1(4) . . ?
C12 C11 H11A 105.6 . . ?
C10A C11 H11A 105.6 . . ?
C12 C11 H11B 105.6 . . ?
C10A C11 H11B 105.6 . . ?
H11A C11 H11B 106.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 116.7(2) . . ?
N1 C13 H13A 108.1 . . ?
C14 C13 H13A 108.1 . . ?
N1 C13 H13B 108.1 . . ?
C14 C13 H13B 108.1 . . ?
H13A C13 H13B 107.3 . . ?
C13 C14 C15 108.8(3) . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C16 C15 C14 113.2(3) . . ?
C16 C15 H15A 108.9 . . ?
C14 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
C14 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 C18 116.6(3) . . ?
N1 C17 H17A 108.2 . . ?
C18 C17 H17A 108.2 . . ?
N1 C17 H17B 108.2 . . ?
C18 C17 H17B 108.2 . . ?
H17A C17 H17B 107.3 . . ?
C17 C18 C19 110.2(3) . . ?
C17 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C18 C19 C20 112.9(3) . . ?
C18 C19 H19A 109.0 . . ?
C20 C19 H19A 109.0 . . ?
C18 C19 H19B 109.0 . . ?
C20 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 N1 117.8(3) . . ?
C22 C21 H21A 107.9 . . ?
N1 C21 H21A 107.9 . . ?
C22 C21 H21B 107.9 . . ?
N1 C21 H21B 107.9 . . ?
H21A C21 H21B 107.2 . . ?
C21 C22 C23 107.8(3) . . ?
C21 C22 H22A 110.1 . . ?
C23 C22 H22A 110.1 . . ?
C21 C22 H22B 110.1 . . ?
C23 C22 H22B 110.1 . . ?
H22A C22 H22B 108.5 . . ?
C24 C23 C22 112.7(2) . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Cl4B C25 Cl3B 84.0(2) . . ?
Cl3A C25 Cl4A 126.8(2) . . ?
Cl3A C25 H25A 105.6 . . ?
Cl4A C25 H25A 105.6 . . ?
Cl3A C25 H25B 105.6 . . ?
Cl4A C25 H25B 105.6 . . ?
H25A C25 H25B 106.1 . . ?
Cl6B C26 Cl5B 134.6(3) . . ?
Cl5A C26 Cl6A 122.8(2) . . ?
Cl5A C26 H26A 106.6 . . ?
Cl6A C26 H26A 106.6 . . ?
Cl5A C26 H26B 106.6 . . ?
Cl6A C26 H26B 106.6 . . ?
H26A C26 H26B 106.6 . . ?

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 O1 C1 O2 -1.1(3) . . . 2_755 ?
Ru1 O1 C1 C2 179.24(17) . . . . ?
Ru1 O3 C3 O4 -0.7(3) . . . 2_755 ?
Ru1 O3 C3 C4 178.71(17) . . . . ?
Ru2 O5 C5 O6 0.1(4) . . . 2_666 ?
Ru2 O5 C5 C6 -179.4(2) . . . . ?
Ru2 O7 C7 O8 1.1(3) . . . 2_666 ?
Ru2 O7 C7 C8 -178.31(19) . . . . ?
C13 N1 C9A C10A -175.0(3) . . . . ?
C17 N1 C9A C10A -56.5(4) . . . . ?
C21 N1 C9A C10A 66.9(4) . . . . ?
N1 C9A C10A C11 -175.5(3) . . . . ?
C13 N1 C9B C10B 69.3(6) . . . . ?
C17 N1 C9B C10B -170.5(5) . . . . ?
C21 N1 C9B C10B -64.2(6) . . . . ?
N1 C9B C10B C11 -167.8(4) . . . . ?
C9A C10A C11 C12 75.5(5) . . . . ?
C9B C10B C11 C12 -178.2(5) . . . . ?
C17 N1 C13 C14 54.8(3) . . . . ?
C21 N1 C13 C14 -62.5(3) . . . . ?
C9A N1 C13 C14 178.6(3) . . . . ?
C9B N1 C13 C14 166.9(3) . . . . ?
N1 C13 C14 C15 176.3(2) . . . . ?
C13 C14 C15 C16 -176.3(3) . . . . ?
C13 N1 C17 C18 60.0(3) . . . . ?
C21 N1 C17 C18 -178.0(2) . . . . ?
C9A N1 C17 C18 -50.2(4) . . . . ?
C9B N1 C17 C18 -71.2(4) . . . . ?
N1 C17 C18 C19 -168.6(2) . . . . ?
C17 C18 C19 C20 73.8(3) . . . . ?
C13 N1 C21 C22 -43.1(3) . . . . ?
C17 N1 C21 C22 -164.3(2) . . . . ?
C9A N1 C21 C22 65.0(3) . . . . ?
C9B N1 C21 C22 97.3(4) . . . . ?
N1 C21 C22 C23 -178.6(2) . . . . ?
C21 C22 C23 C24 -177.1(2) . . . . ?

_refine_diff_density_max         1.084
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.091

