# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

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

data_c4
_database_code_depnum_ccdc_archive 'CCDC 1520809'
_audit_update_record             
;
2016-12-05 deposited with the CCDC.
2017-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H49 Cl4 N4 O2 Ru2'
_chemical_formula_sum            'C49 H49 Cl4 N4 O2 Ru2'
_chemical_formula_weight         1069.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1554(8)
_cell_length_b                   11.5176(8)
_cell_length_c                   18.4679(13)
_cell_angle_alpha                99.317(2)
_cell_angle_beta                 95.757(2)
_cell_angle_gamma                98.084(2)
_cell_volume                     2299.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9879
_cell_measurement_theta_min      3.94
_cell_measurement_theta_max      64.44

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1086
_exptl_absorpt_coefficient_mu    7.801
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33934
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.03
_diffrn_reflns_theta_max         64.47
_reflns_number_total             7630
_reflns_number_gt                7355
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0872P)²+1.3947P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7630
_refine_ls_number_parameters     556
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_ref         0.1190
_refine_ls_wR_factor_gt          0.1174
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.444344(19) 0.373921(19) 0.604284(12) 0.01325(11) Uani 1 1 d . . .
Ru2 Ru 0.023915(19) 0.39339(2) 0.862806(12) 0.01417(11) Uani 1 1 d . . .
Cl1 Cl 0.33524(7) 0.23913(7) 0.49696(4) 0.02363(19) Uani 1 1 d . . .
Cl2 Cl 0.04695(7) 0.23925(7) 0.93657(4) 0.02104(18) Uani 1 1 d . . .
Cl3 Cl -0.27700(12) 0.04614(10) 1.04540(8) 0.0597(3) Uani 1 1 d . . .
Cl4 Cl -0.27933(11) -0.06544(10) 0.89257(6) 0.0510(3) Uani 1 1 d . . .
N3 N 0.2025(2) 0.4063(2) 0.65166(15) 0.0156(5) Uani 1 1 d . . .
O2 O 0.33183(19) 0.49281(18) 0.57812(12) 0.0170(4) Uani 1 1 d . . .
O3 O 0.18289(19) 0.48706(19) 0.92321(12) 0.0173(5) Uani 1 1 d . . .
N1 N 0.2918(2) 0.3320(2) 0.65840(14) 0.0139(5) Uani 1 1 d . . .
N2 N 0.1607(2) 0.3346(2) 0.80252(14) 0.0138(5) Uani 1 1 d . . .
C50 C -0.0188(4) 0.7796(4) 0.8470(3) 0.0374(9) Uani 1 1 d . . .
H50A H -0.0665 0.7687 0.7995 0.056 Uiso 1 1 calc R . .
H50B H 0.0331 0.8557 0.8565 0.056 Uiso 1 1 calc R . .
H50C H -0.0721 0.7762 0.8846 0.056 Uiso 1 1 calc R . .
N4 N 0.2776(2) 0.4015(2) 0.82701(15) 0.0156(5) Uani 1 1 d . . .
C1 C 0.5858(3) 0.3098(3) 0.6719(2) 0.0221(7) Uani 1 1 d . . .
H14 H 0.5819 0.2493 0.6998 0.027 Uiso 1 1 calc R . .
C2 C 0.5679(3) 0.4260(3) 0.70494(19) 0.0213(7) Uani 1 1 d . . .
H13 H 0.5496 0.4395 0.7533 0.026 Uiso 1 1 calc R . .
C3 C 0.5780(3) 0.5218(3) 0.6644(2) 0.0233(7) Uani 1 1 d . . .
C4 C 0.6048(3) 0.4956(3) 0.59060(19) 0.0216(7) Uani 1 1 d . . .
H5 H 0.6138 0.5569 0.5635 0.026 Uiso 1 1 calc R . .
C5 C 0.6183(3) 0.3815(3) 0.5571(2) 0.0227(7) Uani 1 1 d . . .
H4 H 0.6333 0.3675 0.5081 0.027 Uiso 1 1 calc R . .
C6 C 0.6091(3) 0.2852(3) 0.5983(2) 0.0234(7) Uani 1 1 d . . .
C7 C 0.6200(4) 0.1627(3) 0.5608(2) 0.0357(9) Uani 1 1 d . . .
H3 H 0.6204 0.1106 0.5965 0.054 Uiso 1 1 calc R . .
H2 H 0.6947 0.1652 0.5390 0.054 Uiso 1 1 calc R . .
H1 H 0.5521 0.1336 0.5230 0.054 Uiso 1 1 calc R . .
C8 C 0.5559(3) 0.6461(3) 0.6932(2) 0.0299(8) Uani 1 1 d . . .
H9 H 0.5161 0.6758 0.6518 0.036 Uiso 1 1 calc R . .
C9 C 0.4724(4) 0.6509(3) 0.7536(2) 0.0302(8) Uani 1 1 d . . .
H6 H 0.5166 0.6414 0.7990 0.045 Uiso 1 1 calc R . .
H7 H 0.4038 0.5880 0.7395 0.045 Uiso 1 1 calc R . .
H8 H 0.4440 0.7264 0.7604 0.045 Uiso 1 1 calc R . .
C10 C 0.6776(4) 0.7243(4) 0.7180(3) 0.0459(11) Uani 1 1 d . . .
H10 H 0.7179 0.6988 0.7597 0.069 Uiso 1 1 calc R . .
H12 H 0.6657 0.8055 0.7319 0.069 Uiso 1 1 calc R . .
H11 H 0.7269 0.7186 0.6783 0.069 Uiso 1 1 calc R . .
C11 C 0.2329(3) 0.4835(3) 0.60882(16) 0.0146(6) Uani 1 1 d . . .
C12 C 0.1474(3) 0.5681(3) 0.59696(17) 0.0173(6) Uani 1 1 d . . .
C13 C 0.1934(3) 0.6864(3) 0.59412(19) 0.0229(7) Uani 1 1 d . . .
H15 H 0.2773 0.7113 0.5989 0.027 Uiso 1 1 calc R . .
C14 C 0.1138(3) 0.7666(3) 0.5841(2) 0.0299(8) Uani 1 1 d . . .
H16 H 0.1448 0.8454 0.5828 0.036 Uiso 1 1 calc R . .
C15 C -0.0117(4) 0.7300(3) 0.5761(2) 0.0309(8) Uani 1 1 d . . .
H17 H -0.0647 0.7837 0.5687 0.037 Uiso 1 1 calc R . .
C16 C -0.0574(3) 0.6123(3) 0.5791(2) 0.0267(8) Uani 1 1 d . . .
H19 H -0.1413 0.5873 0.5735 0.032 Uiso 1 1 calc R . .
C17 C 0.0214(3) 0.5319(3) 0.59025(18) 0.0196(7) Uani 1 1 d . . .
H18 H -0.0098 0.4538 0.5933 0.024 Uiso 1 1 calc R . .
C18 C 0.2676(3) 0.2577(3) 0.70208(16) 0.0145(6) Uani 1 1 d . . .
C19 C 0.1557(3) 0.2606(3) 0.74101(17) 0.0146(6) Uani 1 1 d . . .
C20 C -0.1766(3) 0.3385(3) 0.83609(19) 0.0223(7) Uani 1 1 d . . .
C21 C -0.1488(3) 0.4245(3) 0.9021(2) 0.0236(7) Uani 1 1 d . . .
H27 H -0.1796 0.4078 0.9449 0.028 Uiso 1 1 calc R . .
C22 C -0.0759(3) 0.5338(3) 0.90375(18) 0.0212(7) Uani 1 1 d . . .
H26 H -0.0607 0.5894 0.9474 0.025 Uiso 1 1 calc R . .
C23 C -0.0238(3) 0.5627(3) 0.83985(18) 0.0193(7) Uani 1 1 d . . .
C54 C 0.0594(3) 0.6812(3) 0.84776(19) 0.0232(7) Uani 1 1 d . . .
H54 H 0.1087 0.6958 0.8963 0.028 Uiso 1 1 calc R . .
C25 C 0.1463(4) 0.6853(3) 0.7900(2) 0.0321(8) Uani 1 1 d . . .
H22 H 0.1885 0.6179 0.7879 0.048 Uiso 1 1 calc R . .
H23 H 0.2044 0.7575 0.8029 0.048 Uiso 1 1 calc R . .
H21 H 0.1011 0.6831 0.7426 0.048 Uiso 1 1 calc R . .
C26 C -0.0495(3) 0.4760(3) 0.77436(18) 0.0200(7) Uani 1 1 d . . .
C27 C -0.1258(3) 0.3652(3) 0.77259(19) 0.0212(7) Uani 1 1 d . . .
H25 H -0.1424 0.3096 0.7289 0.025 Uiso 1 1 calc R . .
C28 C -0.2545(3) 0.2211(3) 0.8363(2) 0.0299(8) Uani 1 1 d . . .
H28 H -0.2526 0.1678 0.7909 0.045 Uiso 1 1 calc R . .
H30 H -0.3370 0.2332 0.8410 0.045 Uiso 1 1 calc R . .
H29 H -0.2237 0.1873 0.8773 0.045 Uiso 1 1 calc R . .
C29 C 0.2774(3) 0.4752(3) 0.88910(17) 0.0158(6) Uani 1 1 d . . .
C30 C 0.3932(3) 0.5544(3) 0.92167(17) 0.0165(6) Uani 1 1 d . . .
C31 C 0.3887(3) 0.6668(3) 0.96288(19) 0.0220(7) Uani 1 1 d . . .
H35 H 0.3137 0.6911 0.9687 0.026 Uiso 1 1 calc R . .
C32 C 0.4949(3) 0.7417(3) 0.9948(2) 0.0272(8) Uani 1 1 d . . .
H34 H 0.4913 0.8165 1.0216 0.033 Uiso 1 1 calc R . .
C33 C 0.6065(3) 0.7054(3) 0.9871(2) 0.0270(8) Uani 1 1 d . . .
H33 H 0.6780 0.7551 1.0097 0.032 Uiso 1 1 calc R . .
C34 C 0.6123(3) 0.5954(3) 0.9457(2) 0.0248(8) Uani 1 1 d . . .
H32 H 0.6877 0.5721 0.9399 0.030 Uiso 1 1 calc R . .
C35 C 0.5061(3) 0.5197(3) 0.91293(18) 0.0191(7) Uani 1 1 d . . .
H31 H 0.5105 0.4458 0.8851 0.023 Uiso 1 1 calc R . .
C36 C 0.0495(3) 0.1717(3) 0.70736(18) 0.0173(6) Uani 1 1 d . . .
C37 C 0.0169(3) 0.1504(3) 0.63051(18) 0.0215(7) Uani 1 1 d . . .
H40 H 0.0609 0.1950 0.6015 0.026 Uiso 1 1 calc R . .
C38 C -0.0807(3) 0.0631(3) 0.5975(2) 0.0273(8) Uani 1 1 d . . .
H39 H -0.1028 0.0508 0.5466 0.033 Uiso 1 1 calc R . .
C39 C -0.1455(3) -0.0058(3) 0.6402(2) 0.0270(8) Uani 1 1 d . . .
H36 H -0.2111 -0.0639 0.6181 0.032 Uiso 1 1 calc R . .
C40 C -0.1117(3) 0.0125(3) 0.7158(2) 0.0271(8) Uani 1 1 d . . .
H38 H -0.1541 -0.0345 0.7443 0.033 Uiso 1 1 calc R . .
C41 C -0.0153(3) 0.1002(3) 0.74966(19) 0.0224(7) Uani 1 1 d . . .
H37 H 0.0064 0.1117 0.8006 0.027 Uiso 1 1 calc R . .
C42 C 0.3372(3) 0.1602(3) 0.71285(19) 0.0185(7) Uani 1 1 d . . .
C43 C 0.3712(3) 0.1421(3) 0.7840(2) 0.0250(7) Uani 1 1 d . . .
H45 H 0.3508 0.1909 0.8246 0.030 Uiso 1 1 calc R . .
C44 C 0.4364(4) 0.0496(3) 0.7939(2) 0.0348(9) Uani 1 1 d . . .
H44 H 0.4619 0.0385 0.8415 0.042 Uiso 1 1 calc R . .
C45 C 0.4629(4) -0.0246(3) 0.7340(3) 0.0381(10) Uani 1 1 d . . .
H43 H 0.5062 -0.0860 0.7413 0.046 Uiso 1 1 calc R . .
C46 C 0.4263(4) -0.0096(3) 0.6632(2) 0.0338(9) Uani 1 1 d . . .
H42 H 0.4444 -0.0609 0.6229 0.041 Uiso 1 1 calc R . .
C47 C 0.3624(3) 0.0824(3) 0.6521(2) 0.0256(8) Uani 1 1 d . . .
H41 H 0.3365 0.0922 0.6044 0.031 Uiso 1 1 calc R . .
C48 C -0.1879(4) -0.0067(4) 0.9778(3) 0.0405(10) Uani 1 1 d . . .
H47 H -0.1464 -0.0681 0.9942 0.049 Uiso 1 1 calc R . .
H46 H -0.1265 0.0580 0.9714 0.049 Uiso 1 1 calc R . .


_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 O2 2.064(2) . ?
Ru1 N1 2.096(2) . ?
Ru1 C2 2.147(3) . ?
Ru1 C3 2.167(3) . ?
Ru1 C4 2.175(3) . ?
Ru1 C1 2.197(3) . ?
Ru1 C5 2.202(3) . ?
Ru1 C6 2.229(3) . ?
Ru1 Cl1 2.4101(8) . ?
Ru2 O3 2.056(2) . ?
Ru2 N2 2.101(3) . ?
Ru2 C26 2.167(3) . ?
Ru2 C22 2.170(3) . ?
Ru2 C21 2.182(3) . ?
Ru2 C23 2.187(3) . ?
Ru2 C27 2.187(3) . ?
Ru2 C20 2.220(3) . ?
Ru2 Cl2 2.4321(8) . ?
Cl3 C48 1.757(5) . ?
Cl4 C48 1.765(5) . ?
N3 C11 1.315(4) . ?
N3 N1 1.411(4) . ?
O2 C11 1.289(4) . ?
O3 C29 1.294(4) . ?
N1 C18 1.288(4) . ?
N2 C19 1.296(4) . ?
N2 N4 1.409(4) . ?
C50 C54 1.525(5) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
N4 C29 1.312(4) . ?
C1 C6 1.400(5) . ?
C1 C2 1.428(5) . ?
C1 H14 0.9300 . ?
C2 C3 1.428(5) . ?
C2 H13 0.9300 . ?
C3 C4 1.419(5) . ?
C3 C8 1.508(5) . ?
C4 C5 1.394(5) . ?
C4 H5 0.9300 . ?
C5 C6 1.441(5) . ?
C5 H4 0.9300 . ?
C6 C7 1.494(5) . ?
C7 H3 0.9600 . ?
C7 H2 0.9600 . ?
C7 H1 0.9600 . ?
C8 C10 1.503(5) . ?
C8 C9 1.522(5) . ?
C8 H9 0.9800 . ?
C9 H6 0.9600 . ?
C9 H7 0.9600 . ?
C9 H8 0.9600 . ?
C10 H10 0.9600 . ?
C10 H12 0.9600 . ?
C10 H11 0.9600 . ?
C11 C12 1.482(4) . ?
C12 C17 1.396(5) . ?
C12 C13 1.397(5) . ?
C13 C14 1.388(5) . ?
C13 H15 0.9300 . ?
C14 C15 1.391(6) . ?
C14 H16 0.9300 . ?
C15 C16 1.391(6) . ?
C15 H17 0.9300 . ?
C16 C17 1.389(5) . ?
C16 H19 0.9300 . ?
C17 H18 0.9300 . ?
C18 C42 1.479(4) . ?
C18 C19 1.504(4) . ?
C19 C36 1.464(4) . ?
C20 C27 1.412(5) . ?
C20 C21 1.419(5) . ?
C20 C28 1.502(5) . ?
C21 C22 1.394(5) . ?
C21 H27 0.9300 . ?
C22 C23 1.433(5) . ?
C22 H26 0.9300 . ?
C23 C26 1.415(5) . ?
C23 C54 1.516(5) . ?
C54 C25 1.513(5) . ?
C54 H54 0.9800 . ?
C25 H22 0.9600 . ?
C25 H23 0.9600 . ?
C25 H21 0.9600 . ?
C26 C27 1.424(5) . ?
C27 H25 0.9300 . ?
C28 H28 0.9600 . ?
C28 H30 0.9600 . ?
C28 H29 0.9600 . ?
C29 C30 1.483(4) . ?
C30 C35 1.390(5) . ?
C30 C31 1.402(5) . ?
C31 C32 1.379(5) . ?
C31 H35 0.9300 . ?
C32 C33 1.382(5) . ?
C32 H34 0.9300 . ?
C33 C34 1.382(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.387(5) . ?
C34 H32 0.9300 . ?
C35 H31 0.9300 . ?
C36 C41 1.402(5) . ?
C36 C37 1.402(5) . ?
C37 C38 1.389(5) . ?
C37 H40 0.9300 . ?
C38 C39 1.390(5) . ?
C38 H39 0.9300 . ?
C39 C40 1.383(5) . ?
C39 H36 0.9300 . ?
C40 C41 1.386(5) . ?
C40 H38 0.9300 . ?
C41 H37 0.9300 . ?
C42 C43 1.388(5) . ?
C42 C47 1.396(5) . ?
C43 C44 1.397(5) . ?
C43 H45 0.9300 . ?
C44 C45 1.369(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.377(6) . ?
C45 H43 0.9300 . ?
C46 C47 1.388(5) . ?
C46 H42 0.9300 . ?
C47 H41 0.9300 . ?
C48 H47 0.9700 . ?
C48 H46 0.9700 . ?

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
O2 Ru1 N1 76.39(9) . . ?
O2 Ru1 C2 117.29(11) . . ?
N1 Ru1 C2 94.00(11) . . ?
O2 Ru1 C3 89.52(11) . . ?
N1 Ru1 C3 114.58(12) . . ?
C2 Ru1 C3 38.67(13) . . ?
O2 Ru1 C4 91.06(10) . . ?
N1 Ru1 C4 150.99(12) . . ?
C2 Ru1 C4 68.38(13) . . ?
C3 Ru1 C4 38.13(13) . . ?
O2 Ru1 C1 155.64(12) . . ?
N1 Ru1 C1 101.01(11) . . ?
C2 Ru1 C1 38.35(13) . . ?
C3 Ru1 C1 69.28(13) . . ?
C4 Ru1 C1 79.72(12) . . ?
O2 Ru1 C5 117.09(11) . . ?
N1 Ru1 C5 166.47(11) . . ?
C2 Ru1 C5 80.92(13) . . ?
C3 Ru1 C5 68.74(13) . . ?
C4 Ru1 C5 37.12(13) . . ?
C1 Ru1 C5 67.29(13) . . ?
O2 Ru1 C6 154.96(11) . . ?
N1 Ru1 C6 128.53(11) . . ?
C2 Ru1 C6 68.53(13) . . ?
C3 Ru1 C6 81.94(13) . . ?
C4 Ru1 C6 67.81(12) . . ?
C1 Ru1 C6 36.87(13) . . ?
C5 Ru1 C6 37.95(13) . . ?
O2 Ru1 Cl1 86.20(6) . . ?
N1 Ru1 Cl1 86.98(7) . . ?
C2 Ru1 Cl1 156.08(10) . . ?
C3 Ru1 Cl1 156.34(10) . . ?
C4 Ru1 Cl1 118.62(10) . . ?
C1 Ru1 Cl1 118.04(10) . . ?
C5 Ru1 Cl1 92.64(10) . . ?
C6 Ru1 Cl1 92.25(9) . . ?
O3 Ru2 N2 76.42(9) . . ?
O3 Ru2 C26 114.74(11) . . ?
N2 Ru2 C26 92.59(11) . . ?
O3 Ru2 C22 90.71(11) . . ?
N2 Ru2 C22 150.20(11) . . ?
C26 Ru2 C22 68.27(12) . . ?
O3 Ru2 C21 118.23(11) . . ?
N2 Ru2 C21 165.33(12) . . ?
C26 Ru2 C21 80.78(13) . . ?
C22 Ru2 C21 37.35(13) . . ?
O3 Ru2 C23 88.23(11) . . ?
N2 Ru2 C23 113.34(11) . . ?
C26 Ru2 C23 37.92(13) . . ?
C22 Ru2 C23 38.39(13) . . ?
C21 Ru2 C23 68.81(13) . . ?
O3 Ru2 C27 152.87(11) . . ?
N2 Ru2 C27 99.21(11) . . ?
C26 Ru2 C27 38.18(13) . . ?
C22 Ru2 C27 80.03(12) . . ?
C21 Ru2 C27 67.55(13) . . ?
C23 Ru2 C27 68.66(12) . . ?
O3 Ru2 C20 155.82(11) . . ?
N2 Ru2 C20 127.75(12) . . ?
C26 Ru2 C20 68.49(12) . . ?
C22 Ru2 C20 67.71(13) . . ?
C21 Ru2 C20 37.59(14) . . ?
C23 Ru2 C20 81.42(12) . . ?
C27 Ru2 C20 37.35(13) . . ?
O3 Ru2 Cl2 86.84(6) . . ?
N2 Ru2 Cl2 88.51(7) . . ?
C26 Ru2 Cl2 158.04(9) . . ?
C22 Ru2 Cl2 117.92(9) . . ?
C21 Ru2 Cl2 92.83(9) . . ?
C23 Ru2 Cl2 155.74(9) . . ?
C27 Ru2 Cl2 120.06(9) . . ?
C20 Ru2 Cl2 93.66(9) . . ?
C11 N3 N1 110.8(2) . . ?
C11 O2 Ru1 113.05(18) . . ?
C29 O3 Ru2 112.60(19) . . ?
C18 N1 N3 112.8(2) . . ?
C18 N1 Ru1 132.5(2) . . ?
N3 N1 Ru1 114.47(18) . . ?
C19 N2 N4 113.4(2) . . ?
C19 N2 Ru2 132.1(2) . . ?
N4 N2 Ru2 113.67(18) . . ?
C54 C50 H50A 109.5 . . ?
C54 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C54 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C29 N4 N2 110.9(2) . . ?
C6 C1 C2 121.3(3) . . ?
C6 C1 Ru1 72.81(19) . . ?
C2 C1 Ru1 68.92(18) . . ?
C6 C1 H14 119.4 . . ?
C2 C1 H14 119.4 . . ?
Ru1 C1 H14 131.9 . . ?
C1 C2 C3 120.6(3) . . ?
C1 C2 Ru1 72.72(19) . . ?
C3 C2 Ru1 71.44(19) . . ?
C1 C2 H13 119.7 . . ?
C3 C2 H13 119.7 . . ?
Ru1 C2 H13 128.4 . . ?
C4 C3 C2 117.1(3) . . ?
C4 C3 C8 118.2(3) . . ?
C2 C3 C8 124.6(3) . . ?
C4 C3 Ru1 71.24(19) . . ?
C2 C3 Ru1 69.89(18) . . ?
C8 C3 Ru1 127.0(2) . . ?
C5 C4 C3 122.6(3) . . ?
C5 C4 Ru1 72.48(19) . . ?
C3 C4 Ru1 70.63(18) . . ?
C5 C4 H5 118.7 . . ?
C3 C4 H5 118.7 . . ?
Ru1 C4 H5 131.2 . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 Ru1 70.39(19) . . ?
C6 C5 Ru1 72.03(18) . . ?
C4 C5 H4 119.9 . . ?
C6 C5 H4 119.9 . . ?
Ru1 C5 H4 130.2 . . ?
C1 C6 C5 118.2(3) . . ?
C1 C6 C7 122.4(3) . . ?
C5 C6 C7 119.4(3) . . ?
C1 C6 Ru1 70.32(19) . . ?
C5 C6 Ru1 70.02(18) . . ?
C7 C6 Ru1 129.4(2) . . ?
C6 C7 H3 109.5 . . ?
C6 C7 H2 109.5 . . ?
H3 C7 H2 109.5 . . ?
C6 C7 H1 109.5 . . ?
H3 C7 H1 109.5 . . ?
H2 C7 H1 109.5 . . ?
C10 C8 C3 108.3(3) . . ?
C10 C8 C9 112.4(3) . . ?
C3 C8 C9 113.2(3) . . ?
C10 C8 H9 107.5 . . ?
C3 C8 H9 107.5 . . ?
C9 C8 H9 107.5 . . ?
C8 C9 H6 109.5 . . ?
C8 C9 H7 109.5 . . ?
H6 C9 H7 109.5 . . ?
C8 C9 H8 109.5 . . ?
H6 C9 H8 109.5 . . ?
H7 C9 H8 109.5 . . ?
C8 C10 H10 109.5 . . ?
C8 C10 H12 109.5 . . ?
H10 C10 H12 109.5 . . ?
C8 C10 H11 109.5 . . ?
H10 C10 H11 109.5 . . ?
H12 C10 H11 109.5 . . ?
O2 C11 N3 125.2(3) . . ?
O2 C11 C12 118.0(3) . . ?
N3 C11 C12 116.7(3) . . ?
C17 C12 C13 119.5(3) . . ?
C17 C12 C11 120.8(3) . . ?
C13 C12 C11 119.6(3) . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H15 120.0 . . ?
C12 C13 H15 120.0 . . ?
C13 C14 C15 120.5(3) . . ?
C13 C14 H16 119.7 . . ?
C15 C14 H16 119.7 . . ?
C14 C15 C16 119.4(3) . . ?
C14 C15 H17 120.3 . . ?
C16 C15 H17 120.3 . . ?
C17 C16 C15 120.5(3) . . ?
C17 C16 H19 119.8 . . ?
C15 C16 H19 119.8 . . ?
C16 C17 C12 120.0(3) . . ?
C16 C17 H18 120.0 . . ?
C12 C17 H18 120.0 . . ?
N1 C18 C42 124.5(3) . . ?
N1 C18 C19 119.6(3) . . ?
C42 C18 C19 115.7(2) . . ?
N2 C19 C36 124.8(3) . . ?
N2 C19 C18 119.5(3) . . ?
C36 C19 C18 115.7(3) . . ?
C27 C20 C21 118.2(3) . . ?
C27 C20 C28 122.2(3) . . ?
C21 C20 C28 119.6(3) . . ?
C27 C20 Ru2 70.07(18) . . ?
C21 C20 Ru2 69.75(18) . . ?
C28 C20 Ru2 130.0(2) . . ?
C22 C21 C20 120.8(3) . . ?
C22 C21 Ru2 70.85(19) . . ?
C20 C21 Ru2 72.66(19) . . ?
C22 C21 H27 119.6 . . ?
C20 C21 H27 119.6 . . ?
Ru2 C21 H27 129.4 . . ?
C21 C22 C23 121.7(3) . . ?
C21 C22 Ru2 71.8(2) . . ?
C23 C22 Ru2 71.44(18) . . ?
C21 C22 H26 119.1 . . ?
C23 C22 H26 119.1 . . ?
Ru2 C22 H26 130.4 . . ?
C26 C23 C22 117.5(3) . . ?
C26 C23 C54 124.4(3) . . ?
C22 C23 C54 118.1(3) . . ?
C26 C23 Ru2 70.30(18) . . ?
C22 C23 Ru2 70.17(18) . . ?
C54 C23 Ru2 128.2(2) . . ?
C25 C54 C23 114.1(3) . . ?
C25 C54 C50 110.9(3) . . ?
C23 C54 C50 108.8(3) . . ?
C25 C54 H54 107.6 . . ?
C23 C54 H54 107.6 . . ?
C50 C54 H54 107.6 . . ?
C54 C25 H22 109.5 . . ?
C54 C25 H23 109.5 . . ?
H22 C25 H23 109.5 . . ?
C54 C25 H21 109.5 . . ?
H22 C25 H21 109.5 . . ?
H23 C25 H21 109.5 . . ?
C23 C26 C27 120.6(3) . . ?
C23 C26 Ru2 71.78(18) . . ?
C27 C26 Ru2 71.67(18) . . ?
C20 C27 C26 121.1(3) . . ?
C20 C27 Ru2 72.58(19) . . ?
C26 C27 Ru2 70.15(18) . . ?
C20 C27 H25 119.5 . . ?
C26 C27 H25 119.5 . . ?
Ru2 C27 H25 130.5 . . ?
C20 C28 H28 109.5 . . ?
C20 C28 H30 109.5 . . ?
H28 C28 H30 109.5 . . ?
C20 C28 H29 109.5 . . ?
H28 C28 H29 109.5 . . ?
H30 C28 H29 109.5 . . ?
O3 C29 N4 125.1(3) . . ?
O3 C29 C30 117.1(3) . . ?
N4 C29 C30 117.8(3) . . ?
C35 C30 C31 119.1(3) . . ?
C35 C30 C29 121.7(3) . . ?
C31 C30 C29 119.1(3) . . ?
C32 C31 C30 120.4(3) . . ?
C32 C31 H35 119.8 . . ?
C30 C31 H35 119.8 . . ?
C31 C32 C33 120.0(3) . . ?
C31 C32 H34 120.0 . . ?
C33 C32 H34 120.0 . . ?
C32 C33 C34 120.1(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C35 120.4(3) . . ?
C33 C34 H32 119.8 . . ?
C35 C34 H32 119.8 . . ?
C34 C35 C30 119.9(3) . . ?
C34 C35 H31 120.0 . . ?
C30 C35 H31 120.0 . . ?
C41 C36 C37 118.7(3) . . ?
C41 C36 C19 121.3(3) . . ?
C37 C36 C19 119.8(3) . . ?
C38 C37 C36 120.5(3) . . ?
C38 C37 H40 119.8 . . ?
C36 C37 H40 119.8 . . ?
C37 C38 C39 120.2(3) . . ?
C37 C38 H39 119.9 . . ?
C39 C38 H39 119.9 . . ?
C40 C39 C38 119.6(3) . . ?
C40 C39 H36 120.2 . . ?
C38 C39 H36 120.2 . . ?
C39 C40 C41 120.8(3) . . ?
C39 C40 H38 119.6 . . ?
C41 C40 H38 119.6 . . ?
C40 C41 C36 120.2(3) . . ?
C40 C41 H37 119.9 . . ?
C36 C41 H37 119.9 . . ?
C43 C42 C47 119.9(3) . . ?
C43 C42 C18 119.5(3) . . ?
C47 C42 C18 120.6(3) . . ?
C42 C43 C44 119.3(3) . . ?
C42 C43 H45 120.4 . . ?
C44 C43 H45 120.4 . . ?
C45 C44 C43 120.3(4) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.9(3) . . ?
C44 C45 H43 119.6 . . ?
C46 C45 H43 119.6 . . ?
C45 C46 C47 119.7(4) . . ?
C45 C46 H42 120.1 . . ?
C47 C46 H42 120.1 . . ?
C46 C47 C42 119.9(4) . . ?
C46 C47 H41 120.1 . . ?
C42 C47 H41 120.1 . . ?
Cl3 C48 Cl4 110.9(2) . . ?
Cl3 C48 H47 109.4 . . ?
Cl4 C48 H47 109.4 . . ?
Cl3 C48 H46 109.4 . . ?
Cl4 C48 H46 109.4 . . ?
H47 C48 H46 108.0 . . ?

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
N1 Ru1 O2 C11 2.1(2) . . . . ?
C2 Ru1 O2 C11 -85.3(2) . . . . ?
C3 Ru1 O2 C11 -113.3(2) . . . . ?
C4 Ru1 O2 C11 -151.5(2) . . . . ?
C1 Ru1 O2 C11 -84.5(3) . . . . ?
C5 Ru1 O2 C11 -179.0(2) . . . . ?
C6 Ru1 O2 C11 177.1(3) . . . . ?
Cl1 Ru1 O2 C11 89.93(19) . . . . ?
N2 Ru2 O3 C29 9.12(19) . . . . ?
C26 Ru2 O3 C29 -77.4(2) . . . . ?
C22 Ru2 O3 C29 -143.7(2) . . . . ?
C21 Ru2 O3 C29 -170.1(2) . . . . ?
C23 Ru2 O3 C29 -105.4(2) . . . . ?
C27 Ru2 O3 C29 -74.6(3) . . . . ?
C20 Ru2 O3 C29 -169.8(3) . . . . ?
Cl2 Ru2 O3 C29 98.34(19) . . . . ?
C11 N3 N1 C18 177.7(3) . . . . ?
C11 N3 N1 Ru1 3.2(3) . . . . ?
O2 Ru1 N1 C18 -176.0(3) . . . . ?
C2 Ru1 N1 C18 -58.9(3) . . . . ?
C3 Ru1 N1 C18 -92.9(3) . . . . ?
C4 Ru1 N1 C18 -109.4(3) . . . . ?
C1 Ru1 N1 C18 -20.8(3) . . . . ?
C5 Ru1 N1 C18 8.4(7) . . . . ?
C6 Ru1 N1 C18 6.7(3) . . . . ?
Cl1 Ru1 N1 C18 97.2(3) . . . . ?
O2 Ru1 N1 N3 -2.90(19) . . . . ?
C2 Ru1 N1 N3 114.2(2) . . . . ?
C3 Ru1 N1 N3 80.2(2) . . . . ?
C4 Ru1 N1 N3 63.7(3) . . . . ?
C1 Ru1 N1 N3 152.3(2) . . . . ?
C5 Ru1 N1 N3 -178.5(4) . . . . ?
C6 Ru1 N1 N3 179.81(19) . . . . ?
Cl1 Ru1 N1 N3 -89.72(19) . . . . ?
O3 Ru2 N2 C19 -178.3(3) . . . . ?
C26 Ru2 N2 C19 -63.4(3) . . . . ?
C22 Ru2 N2 C19 -111.6(3) . . . . ?
C21 Ru2 N2 C19 -0.9(6) . . . . ?
C23 Ru2 N2 C19 -96.2(3) . . . . ?
C27 Ru2 N2 C19 -25.6(3) . . . . ?
C20 Ru2 N2 C19 1.2(3) . . . . ?
Cl2 Ru2 N2 C19 94.6(3) . . . . ?
O3 Ru2 N2 N4 -9.91(18) . . . . ?
C26 Ru2 N2 N4 104.9(2) . . . . ?
C22 Ru2 N2 N4 56.7(3) . . . . ?
C21 Ru2 N2 N4 167.5(4) . . . . ?
C23 Ru2 N2 N4 72.1(2) . . . . ?
C27 Ru2 N2 N4 142.75(19) . . . . ?
C20 Ru2 N2 N4 169.51(18) . . . . ?
Cl2 Ru2 N2 N4 -97.03(18) . . . . ?
C19 N2 N4 C29 179.7(3) . . . . ?
Ru2 N2 N4 C29 9.1(3) . . . . ?
O2 Ru1 C1 C6 -135.8(2) . . . . ?
N1 Ru1 C1 C6 142.96(19) . . . . ?
C2 Ru1 C1 C6 -134.6(3) . . . . ?
C3 Ru1 C1 C6 -104.7(2) . . . . ?
C4 Ru1 C1 C6 -66.6(2) . . . . ?
C5 Ru1 C1 C6 -29.9(2) . . . . ?
Cl1 Ru1 C1 C6 50.5(2) . . . . ?
O2 Ru1 C1 C2 -1.2(4) . . . . ?
N1 Ru1 C1 C2 -82.5(2) . . . . ?
C3 Ru1 C1 C2 29.85(19) . . . . ?
C4 Ru1 C1 C2 68.0(2) . . . . ?
C5 Ru1 C1 C2 104.7(2) . . . . ?
C6 Ru1 C1 C2 134.6(3) . . . . ?
Cl1 Ru1 C1 C2 -174.91(16) . . . . ?
C6 C1 C2 C3 -2.4(5) . . . . ?
Ru1 C1 C2 C3 -55.2(3) . . . . ?
C6 C1 C2 Ru1 52.8(3) . . . . ?
O2 Ru1 C2 C1 179.46(17) . . . . ?
N1 Ru1 C2 C1 102.71(19) . . . . ?
C3 Ru1 C2 C1 -131.8(3) . . . . ?
C4 Ru1 C2 C1 -101.0(2) . . . . ?
C5 Ru1 C2 C1 -64.7(2) . . . . ?
C6 Ru1 C2 C1 -27.34(19) . . . . ?
Cl1 Ru1 C2 C1 11.1(4) . . . . ?
O2 Ru1 C2 C3 -48.7(2) . . . . ?
N1 Ru1 C2 C3 -125.5(2) . . . . ?
C4 Ru1 C2 C3 30.8(2) . . . . ?
C1 Ru1 C2 C3 131.8(3) . . . . ?
C5 Ru1 C2 C3 67.2(2) . . . . ?
C6 Ru1 C2 C3 104.5(2) . . . . ?
Cl1 Ru1 C2 C3 143.0(2) . . . . ?
C1 C2 C3 C4 0.7(5) . . . . ?
Ru1 C2 C3 C4 -55.1(3) . . . . ?
C1 C2 C3 C8 177.5(3) . . . . ?
Ru1 C2 C3 C8 121.7(3) . . . . ?
C1 C2 C3 Ru1 55.8(3) . . . . ?
O2 Ru1 C3 C4 -92.33(19) . . . . ?
N1 Ru1 C3 C4 -167.11(17) . . . . ?
C2 Ru1 C3 C4 129.6(3) . . . . ?
C1 Ru1 C3 C4 99.9(2) . . . . ?
C5 Ru1 C3 C4 27.14(19) . . . . ?
C6 Ru1 C3 C4 64.1(2) . . . . ?
Cl1 Ru1 C3 C4 -13.0(4) . . . . ?
O2 Ru1 C3 C2 138.1(2) . . . . ?
N1 Ru1 C3 C2 63.3(2) . . . . ?
C4 Ru1 C3 C2 -129.6(3) . . . . ?
C1 Ru1 C3 C2 -29.6(2) . . . . ?
C5 Ru1 C3 C2 -102.4(2) . . . . ?
C6 Ru1 C3 C2 -65.5(2) . . . . ?
Cl1 Ru1 C3 C2 -142.5(2) . . . . ?
O2 Ru1 C3 C8 19.3(3) . . . . ?
N1 Ru1 C3 C8 -55.5(3) . . . . ?
C2 Ru1 C3 C8 -118.8(4) . . . . ?
C4 Ru1 C3 C8 111.7(4) . . . . ?
C1 Ru1 C3 C8 -148.4(3) . . . . ?
C5 Ru1 C3 C8 138.8(3) . . . . ?
C6 Ru1 C3 C8 175.7(3) . . . . ?
Cl1 Ru1 C3 C8 98.7(4) . . . . ?
C2 C3 C4 C5 1.5(5) . . . . ?
C8 C3 C4 C5 -175.5(3) . . . . ?
Ru1 C3 C4 C5 -52.9(3) . . . . ?
C2 C3 C4 Ru1 54.4(3) . . . . ?
C8 C3 C4 Ru1 -122.6(3) . . . . ?
O2 Ru1 C4 C5 -136.9(2) . . . . ?
N1 Ru1 C4 C5 160.0(2) . . . . ?
C2 Ru1 C4 C5 104.0(2) . . . . ?
C3 Ru1 C4 C5 135.2(3) . . . . ?
C1 Ru1 C4 C5 65.8(2) . . . . ?
C6 Ru1 C4 C5 29.3(2) . . . . ?
Cl1 Ru1 C4 C5 -50.7(2) . . . . ?
O2 Ru1 C4 C3 87.9(2) . . . . ?
N1 Ru1 C4 C3 24.7(3) . . . . ?
C2 Ru1 C4 C3 -31.2(2) . . . . ?
C1 Ru1 C4 C3 -69.4(2) . . . . ?
C5 Ru1 C4 C3 -135.2(3) . . . . ?
C6 Ru1 C4 C3 -105.9(2) . . . . ?
Cl1 Ru1 C4 C3 174.12(17) . . . . ?
C3 C4 C5 C6 -2.1(5) . . . . ?
Ru1 C4 C5 C6 -54.1(3) . . . . ?
C3 C4 C5 Ru1 52.1(3) . . . . ?
O2 Ru1 C5 C4 50.1(2) . . . . ?
N1 Ru1 C5 C4 -134.7(5) . . . . ?
C2 Ru1 C5 C4 -66.0(2) . . . . ?
C3 Ru1 C5 C4 -27.8(2) . . . . ?
C1 Ru1 C5 C4 -103.4(2) . . . . ?
C6 Ru1 C5 C4 -132.5(3) . . . . ?
Cl1 Ru1 C5 C4 137.19(19) . . . . ?
O2 Ru1 C5 C6 -177.35(18) . . . . ?
N1 Ru1 C5 C6 -2.2(6) . . . . ?
C2 Ru1 C5 C6 66.6(2) . . . . ?
C3 Ru1 C5 C6 104.7(2) . . . . ?
C4 Ru1 C5 C6 132.5(3) . . . . ?
C1 Ru1 C5 C6 29.1(2) . . . . ?
Cl1 Ru1 C5 C6 -90.3(2) . . . . ?
C2 C1 C6 C5 1.8(5) . . . . ?
Ru1 C1 C6 C5 52.9(3) . . . . ?
C2 C1 C6 C7 -175.9(3) . . . . ?
Ru1 C1 C6 C7 -124.8(3) . . . . ?
C2 C1 C6 Ru1 -51.1(3) . . . . ?
C4 C5 C6 C1 0.3(5) . . . . ?
Ru1 C5 C6 C1 -53.0(3) . . . . ?
C4 C5 C6 C7 178.1(3) . . . . ?
Ru1 C5 C6 C7 124.7(3) . . . . ?
C4 C5 C6 Ru1 53.4(3) . . . . ?
O2 Ru1 C6 C1 137.1(2) . . . . ?
N1 Ru1 C6 C1 -49.1(2) . . . . ?
C2 Ru1 C6 C1 28.4(2) . . . . ?
C3 Ru1 C6 C1 66.0(2) . . . . ?
C4 Ru1 C6 C1 102.9(2) . . . . ?
C5 Ru1 C6 C1 131.6(3) . . . . ?
Cl1 Ru1 C6 C1 -137.02(19) . . . . ?
O2 Ru1 C6 C5 5.6(4) . . . . ?
N1 Ru1 C6 C5 179.35(18) . . . . ?
C2 Ru1 C6 C5 -103.2(2) . . . . ?
C3 Ru1 C6 C5 -65.6(2) . . . . ?
C4 Ru1 C6 C5 -28.7(2) . . . . ?
C1 Ru1 C6 C5 -131.6(3) . . . . ?
Cl1 Ru1 C6 C5 91.4(2) . . . . ?
O2 Ru1 C6 C7 -106.6(4) . . . . ?
N1 Ru1 C6 C7 67.2(4) . . . . ?
C2 Ru1 C6 C7 144.6(4) . . . . ?
C3 Ru1 C6 C7 -177.7(3) . . . . ?
C4 Ru1 C6 C7 -140.9(4) . . . . ?
C1 Ru1 C6 C7 116.3(4) . . . . ?
C5 Ru1 C6 C7 -112.2(4) . . . . ?
Cl1 Ru1 C6 C7 -20.7(3) . . . . ?
C4 C3 C8 C10 -82.3(4) . . . . ?
C2 C3 C8 C10 100.9(4) . . . . ?
Ru1 C3 C8 C10 -169.2(3) . . . . ?
C4 C3 C8 C9 152.3(3) . . . . ?
C2 C3 C8 C9 -24.5(5) . . . . ?
Ru1 C3 C8 C9 65.3(4) . . . . ?
Ru1 O2 C11 N3 -1.1(4) . . . . ?
Ru1 O2 C11 C12 177.2(2) . . . . ?
N1 N3 C11 O2 -1.4(4) . . . . ?
N1 N3 C11 C12 -179.7(2) . . . . ?
O2 C11 C12 C17 144.3(3) . . . . ?
N3 C11 C12 C17 -37.2(4) . . . . ?
O2 C11 C12 C13 -37.1(4) . . . . ?
N3 C11 C12 C13 141.3(3) . . . . ?
C17 C12 C13 C14 -0.5(5) . . . . ?
C11 C12 C13 C14 -179.0(3) . . . . ?
C12 C13 C14 C15 -0.7(5) . . . . ?
C13 C14 C15 C16 0.8(6) . . . . ?
C14 C15 C16 C17 0.2(6) . . . . ?
C15 C16 C17 C12 -1.4(5) . . . . ?
C13 C12 C17 C16 1.5(5) . . . . ?
C11 C12 C17 C16 -179.9(3) . . . . ?
N3 N1 C18 C42 172.6(3) . . . . ?
Ru1 N1 C18 C42 -14.2(5) . . . . ?
N3 N1 C18 C19 -2.0(4) . . . . ?
Ru1 N1 C18 C19 171.2(2) . . . . ?
N4 N2 C19 C36 173.2(3) . . . . ?
Ru2 N2 C19 C36 -18.5(4) . . . . ?
N4 N2 C19 C18 -2.7(4) . . . . ?
Ru2 N2 C19 C18 165.6(2) . . . . ?
N1 C18 C19 N2 -84.5(4) . . . . ?
C42 C18 C19 N2 100.5(3) . . . . ?
N1 C18 C19 C36 99.2(3) . . . . ?
C42 C18 C19 C36 -75.8(3) . . . . ?
O3 Ru2 C20 C27 131.5(3) . . . . ?
N2 Ru2 C20 C27 -47.1(2) . . . . ?
C26 Ru2 C20 C27 28.8(2) . . . . ?
C22 Ru2 C20 C27 103.2(2) . . . . ?
C21 Ru2 C20 C27 132.1(3) . . . . ?
C23 Ru2 C20 C27 65.9(2) . . . . ?
Cl2 Ru2 C20 C27 -138.03(19) . . . . ?
O3 Ru2 C20 C21 -0.5(4) . . . . ?
N2 Ru2 C20 C21 -179.17(18) . . . . ?
C26 Ru2 C20 C21 -103.3(2) . . . . ?
C22 Ru2 C20 C21 -28.9(2) . . . . ?
C23 Ru2 C20 C21 -66.2(2) . . . . ?
C27 Ru2 C20 C21 -132.1(3) . . . . ?
Cl2 Ru2 C20 C21 89.89(19) . . . . ?
O3 Ru2 C20 C28 -112.7(4) . . . . ?
N2 Ru2 C20 C28 68.7(4) . . . . ?
C26 Ru2 C20 C28 144.6(4) . . . . ?
C22 Ru2 C20 C28 -141.0(4) . . . . ?
C21 Ru2 C20 C28 -112.1(4) . . . . ?
C23 Ru2 C20 C28 -178.3(3) . . . . ?
C27 Ru2 C20 C28 115.8(4) . . . . ?
Cl2 Ru2 C20 C28 -22.2(3) . . . . ?
C27 C20 C21 C22 1.7(5) . . . . ?
C28 C20 C21 C22 179.4(3) . . . . ?
Ru2 C20 C21 C22 54.1(3) . . . . ?
C27 C20 C21 Ru2 -52.4(3) . . . . ?
C28 C20 C21 Ru2 125.4(3) . . . . ?
O3 Ru2 C21 C22 47.1(2) . . . . ?
N2 Ru2 C21 C22 -130.0(4) . . . . ?
C26 Ru2 C21 C22 -66.1(2) . . . . ?
C23 Ru2 C21 C22 -28.6(2) . . . . ?
C27 Ru2 C21 C22 -103.5(2) . . . . ?
C20 Ru2 C21 C22 -132.6(3) . . . . ?
Cl2 Ru2 C21 C22 135.07(19) . . . . ?
O3 Ru2 C21 C20 179.75(17) . . . . ?
N2 Ru2 C21 C20 2.6(6) . . . . ?
C26 Ru2 C21 C20 66.5(2) . . . . ?
C22 Ru2 C21 C20 132.6(3) . . . . ?
C23 Ru2 C21 C20 104.0(2) . . . . ?
C27 Ru2 C21 C20 29.16(19) . . . . ?
Cl2 Ru2 C21 C20 -92.32(19) . . . . ?
C20 C21 C22 C23 -1.6(5) . . . . ?
Ru2 C21 C22 C23 53.3(3) . . . . ?
C20 C21 C22 Ru2 -54.9(3) . . . . ?
O3 Ru2 C22 C21 -139.8(2) . . . . ?
N2 Ru2 C22 C21 157.0(2) . . . . ?
C26 Ru2 C22 C21 103.8(2) . . . . ?
C23 Ru2 C22 C21 134.0(3) . . . . ?
C27 Ru2 C22 C21 65.9(2) . . . . ?
C20 Ru2 C22 C21 29.0(2) . . . . ?
Cl2 Ru2 C22 C21 -53.0(2) . . . . ?
O3 Ru2 C22 C23 86.26(19) . . . . ?
N2 Ru2 C22 C23 23.1(3) . . . . ?
C26 Ru2 C22 C23 -30.20(19) . . . . ?
C21 Ru2 C22 C23 -134.0(3) . . . . ?
C27 Ru2 C22 C23 -68.1(2) . . . . ?
C20 Ru2 C22 C23 -104.9(2) . . . . ?
Cl2 Ru2 C22 C23 173.07(16) . . . . ?
C21 C22 C23 C26 0.3(5) . . . . ?
Ru2 C22 C23 C26 53.8(3) . . . . ?
C21 C22 C23 C54 -177.0(3) . . . . ?
Ru2 C22 C23 C54 -123.5(3) . . . . ?
C21 C22 C23 Ru2 -53.5(3) . . . . ?
O3 Ru2 C23 C26 136.12(19) . . . . ?
N2 Ru2 C23 C26 61.7(2) . . . . ?
C22 Ru2 C23 C26 -130.5(3) . . . . ?
C21 Ru2 C23 C26 -102.6(2) . . . . ?
C27 Ru2 C23 C26 -29.34(19) . . . . ?
C20 Ru2 C23 C26 -65.8(2) . . . . ?
Cl2 Ru2 C23 C26 -145.57(19) . . . . ?
O3 Ru2 C23 C22 -93.37(19) . . . . ?
N2 Ru2 C23 C22 -167.76(18) . . . . ?
C26 Ru2 C23 C22 130.5(3) . . . . ?
C21 Ru2 C23 C22 27.9(2) . . . . ?
C27 Ru2 C23 C22 101.2(2) . . . . ?
C20 Ru2 C23 C22 64.7(2) . . . . ?
Cl2 Ru2 C23 C22 -15.1(3) . . . . ?
O3 Ru2 C23 C54 17.3(3) . . . . ?
N2 Ru2 C23 C54 -57.1(3) . . . . ?
C26 Ru2 C23 C54 -118.8(4) . . . . ?
C22 Ru2 C23 C54 110.6(4) . . . . ?
C21 Ru2 C23 C54 138.6(3) . . . . ?
C27 Ru2 C23 C54 -148.2(3) . . . . ?
C20 Ru2 C23 C54 175.3(3) . . . . ?
Cl2 Ru2 C23 C54 95.6(3) . . . . ?
C26 C23 C54 C25 -19.4(5) . . . . ?
C22 C23 C54 C25 157.7(3) . . . . ?
Ru2 C23 C54 C25 71.7(4) . . . . ?
C26 C23 C54 C50 105.0(4) . . . . ?
C22 C23 C54 C50 -77.9(4) . . . . ?
Ru2 C23 C54 C50 -163.9(3) . . . . ?
C22 C23 C26 C27 0.9(4) . . . . ?
C54 C23 C26 C27 177.9(3) . . . . ?
Ru2 C23 C26 C27 54.6(3) . . . . ?
C22 C23 C26 Ru2 -53.7(3) . . . . ?
C54 C23 C26 Ru2 123.4(3) . . . . ?
O3 Ru2 C26 C23 -49.7(2) . . . . ?
N2 Ru2 C26 C23 -125.96(19) . . . . ?
C22 Ru2 C26 C23 30.55(19) . . . . ?
C21 Ru2 C26 C23 67.2(2) . . . . ?
C27 Ru2 C26 C23 132.4(3) . . . . ?
C20 Ru2 C26 C23 104.2(2) . . . . ?
Cl2 Ru2 C26 C23 141.6(2) . . . . ?
O3 Ru2 C26 C27 177.87(17) . . . . ?
N2 Ru2 C26 C27 101.6(2) . . . . ?
C22 Ru2 C26 C27 -101.9(2) . . . . ?
C21 Ru2 C26 C27 -65.2(2) . . . . ?
C23 Ru2 C26 C27 -132.4(3) . . . . ?
C20 Ru2 C26 C27 -28.2(2) . . . . ?
Cl2 Ru2 C26 C27 9.2(4) . . . . ?
C21 C20 C27 C26 -0.6(5) . . . . ?
C28 C20 C27 C26 -178.2(3) . . . . ?
Ru2 C20 C27 C26 -52.8(3) . . . . ?
C21 C20 C27 Ru2 52.2(3) . . . . ?
C28 C20 C27 Ru2 -125.5(3) . . . . ?
C23 C26 C27 C20 -0.7(5) . . . . ?
Ru2 C26 C27 C20 53.9(3) . . . . ?
C23 C26 C27 Ru2 -54.6(3) . . . . ?
O3 Ru2 C27 C20 -137.7(2) . . . . ?
N2 Ru2 C27 C20 144.1(2) . . . . ?
C26 Ru2 C27 C20 -133.5(3) . . . . ?
C22 Ru2 C27 C20 -66.1(2) . . . . ?
C21 Ru2 C27 C20 -29.3(2) . . . . ?
C23 Ru2 C27 C20 -104.4(2) . . . . ?
Cl2 Ru2 C27 C20 50.4(2) . . . . ?
O3 Ru2 C27 C26 -4.2(3) . . . . ?
N2 Ru2 C27 C26 -82.4(2) . . . . ?
C22 Ru2 C27 C26 67.4(2) . . . . ?
C21 Ru2 C27 C26 104.2(2) . . . . ?
C23 Ru2 C27 C26 29.15(19) . . . . ?
C20 Ru2 C27 C26 133.5(3) . . . . ?
Cl2 Ru2 C27 C26 -176.05(16) . . . . ?
Ru2 O3 C29 N4 -7.7(4) . . . . ?
Ru2 O3 C29 C30 170.0(2) . . . . ?
N2 N4 C29 O3 -1.0(4) . . . . ?
N2 N4 C29 C30 -178.7(2) . . . . ?
O3 C29 C30 C35 150.9(3) . . . . ?
N4 C29 C30 C35 -31.2(4) . . . . ?
O3 C29 C30 C31 -28.6(4) . . . . ?
N4 C29 C30 C31 149.3(3) . . . . ?
C35 C30 C31 C32 -0.5(5) . . . . ?
C29 C30 C31 C32 179.0(3) . . . . ?
C30 C31 C32 C33 -0.8(5) . . . . ?
C31 C32 C33 C34 1.6(5) . . . . ?
C32 C33 C34 C35 -1.2(5) . . . . ?
C33 C34 C35 C30 -0.1(5) . . . . ?
C31 C30 C35 C34 0.9(5) . . . . ?
C29 C30 C35 C34 -178.5(3) . . . . ?
N2 C19 C36 C41 -45.2(5) . . . . ?
C18 C19 C36 C41 130.9(3) . . . . ?
N2 C19 C36 C37 139.9(3) . . . . ?
C18 C19 C36 C37 -44.1(4) . . . . ?
C41 C36 C37 C38 2.4(5) . . . . ?
C19 C36 C37 C38 177.5(3) . . . . ?
C36 C37 C38 C39 -1.4(5) . . . . ?
C37 C38 C39 C40 -0.4(5) . . . . ?
C38 C39 C40 C41 1.1(5) . . . . ?
C39 C40 C41 C36 -0.1(5) . . . . ?
C37 C36 C41 C40 -1.7(5) . . . . ?
C19 C36 C41 C40 -176.7(3) . . . . ?
N1 C18 C42 C43 134.0(3) . . . . ?
C19 C18 C42 C43 -51.2(4) . . . . ?
N1 C18 C42 C47 -49.8(4) . . . . ?
C19 C18 C42 C47 125.0(3) . . . . ?
C47 C42 C43 C44 3.5(5) . . . . ?
C18 C42 C43 C44 179.7(3) . . . . ?
C42 C43 C44 C45 -2.1(5) . . . . ?
C43 C44 C45 C46 0.2(6) . . . . ?
C44 C45 C46 C47 0.4(6) . . . . ?
C45 C46 C47 C42 0.9(5) . . . . ?
C43 C42 C47 C46 -2.9(5) . . . . ?
C18 C42 C47 C46 -179.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        64.47
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.782
_refine_diff_density_rms         0.134
####################################################################### 
# 
# 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_dmds161103
_database_code_depnum_ccdc_archive 'CCDC 1520810'
_audit_update_record             
;
2016-12-05 deposited with the CCDC.
2017-12-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H36 Cl2 N4 O4 Ru2'
_chemical_formula_sum            'C42 H36 Cl2 N4 O4 Ru2'
_chemical_formula_weight         933.79

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.1609(7)
_cell_length_b                   8.6759(3)
_cell_length_c                   21.5920(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.7620(10)
_cell_angle_gamma                90
_cell_volume                     4130.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9939
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      29.92

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_F_000             1880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.905
_shelx_estimated_absorpt_T_min   0.773
_shelx_estimated_absorpt_T_max   0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6765
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70543
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.847
_diffrn_reflns_theta_max         30.018
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12051
_reflns_number_gt                10038
_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0352P)²+9.8367P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12051
_refine_ls_number_parameters     489
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_ref         0.1039
_refine_ls_wR_factor_gt          0.0993
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_restrained_S_all      1.110
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.23512(14) 1.2530(4) 0.12011(14) 0.0238(6) Uani 1 1 d . . . . .
C2 C 0.25070(16) 1.3592(4) 0.07577(16) 0.0315(7) Uani 1 1 d . . . . .
H2 H 0.2799 1.3328 0.0482 0.038 Uiso 1 1 calc R U . . .
C3 C 0.2236(2) 1.5021(4) 0.07206(19) 0.0404(9) Uani 1 1 d . . . . .
H3 H 0.2345 1.5743 0.0420 0.048 Uiso 1 1 calc R U . . .
C4 C 0.1807(2) 1.5416(5) 0.1117(2) 0.0507(11) Uani 1 1 d . . . . .
H4 H 0.1616 1.6397 0.1083 0.061 Uiso 1 1 calc R U . . .
C5 C 0.1660(2) 1.4380(6) 0.1558(2) 0.0571(13) Uani 1 1 d . . . . .
H5 H 0.1365 1.4650 0.1830 0.069 Uiso 1 1 calc R U . . .
C6 C 0.19345(19) 1.2949(5) 0.16126(18) 0.0401(9) Uani 1 1 d . . . . .
H6 H 0.1839 1.2256 0.1929 0.048 Uiso 1 1 calc R U . . .
C7 C 0.26565(12) 1.1024(4) 0.12669(13) 0.0201(5) Uani 1 1 d . . . . .
C8 C 0.28985(12) 1.0544(4) 0.19144(13) 0.0193(5) Uani 1 1 d . . . . .
C9 C 0.34511(13) 1.1326(4) 0.21966(13) 0.0217(6) Uani 1 1 d . . . . .
C10 C 0.35064(14) 1.1752(4) 0.28239(14) 0.0256(6) Uani 1 1 d . . . . .
H10 H 0.3193 1.1506 0.3077 0.031 Uiso 1 1 calc R U . . .
C11 C 0.40200(16) 1.2537(4) 0.30774(16) 0.0321(7) Uani 1 1 d . . . . .
H11 H 0.4059 1.2822 0.3504 0.039 Uiso 1 1 calc R U . . .
C12 C 0.44723(16) 1.2903(5) 0.27096(18) 0.0390(9) Uani 1 1 d . . . . .
H12 H 0.4823 1.3439 0.2885 0.047 Uiso 1 1 calc R U . . .
C13 C 0.44210(16) 1.2496(5) 0.20884(18) 0.0420(9) Uani 1 1 d . . . . .
H13 H 0.4736 1.2746 0.1839 0.050 Uiso 1 1 calc R U . . .
C14 C 0.39086(15) 1.1723(4) 0.18290(16) 0.0325(7) Uani 1 1 d . . . . .
H14 H 0.3870 1.1464 0.1399 0.039 Uiso 1 1 calc R U . . .
C15 C 0.32606(13) 0.8125(4) 0.04662(13) 0.0212(6) Uani 1 1 d . . . . .
C16 C 0.37238(13) 0.6902(4) 0.05248(13) 0.0219(6) Uani 1 1 d . . . . .
C17 C 0.42021(14) 0.6917(4) 0.10000(14) 0.0273(6) Uani 1 1 d . . . . .
H17 H 0.4239 0.7751 0.1286 0.033 Uiso 1 1 calc R U . . .
C18 C 0.46207(14) 0.5734(4) 0.10579(14) 0.0295(7) Uani 1 1 d . . . . .
H18 H 0.4943 0.5757 0.1383 0.035 Uiso 1 1 calc R U . . .
C19 C 0.45696(14) 0.4508(4) 0.06404(14) 0.0257(6) Uani 1 1 d . . . . .
C20 C 0.41101(14) 0.4504(4) 0.01532(14) 0.0264(6) Uani 1 1 d . . . . .
H20 H 0.4083 0.3689 -0.0142 0.032 Uiso 1 1 calc R U . . .
C21 C 0.36928(14) 0.5687(4) 0.01004(14) 0.0248(6) Uani 1 1 d . . . . .
H21 H 0.3378 0.5674 -0.0232 0.030 Uiso 1 1 calc R U . . .
C22 C 0.49364(18) 0.2036(5) 0.03597(19) 0.0395(8) Uani 1 1 d . . . . .
H22A H 0.4538 0.1560 0.0383 0.059 Uiso 1 1 calc R U . . .
H22B H 0.5255 0.1296 0.0499 0.059 Uiso 1 1 calc R U . . .
H22C H 0.4978 0.2340 -0.0071 0.059 Uiso 1 1 calc R U . . .
C23 C 0.17380(13) 0.8220(4) 0.22557(13) 0.0207(5) Uani 1 1 d . . . . .
C24 C 0.10810(13) 0.7947(4) 0.20883(14) 0.0224(6) Uani 1 1 d . . . . .
C25 C 0.07489(14) 0.8781(4) 0.16146(16) 0.0305(7) Uani 1 1 d . . . . .
H25 H 0.0947 0.9533 0.1387 0.037 Uiso 1 1 calc R U . . .
C26 C 0.01360(16) 0.8518(5) 0.14768(19) 0.0416(9) Uani 1 1 d . . . . .
H26 H -0.0086 0.9079 0.1152 0.050 Uiso 1 1 calc R U . . .
C27 C -0.01567(16) 0.7433(5) 0.1813(2) 0.0450(10) Uani 1 1 d . . . . .
C28 C 0.01637(16) 0.6597(5) 0.22849(19) 0.0410(9) Uani 1 1 d . . . . .
H28 H -0.0036 0.5851 0.2514 0.049 Uiso 1 1 calc R U . . .
C29 C 0.07806(14) 0.6866(4) 0.24181(16) 0.0309(7) Uani 1 1 d . . . . .
H29 H 0.1002 0.6299 0.2742 0.037 Uiso 1 1 calc R U . . .
C30 C -0.1074(2) 0.6143(9) 0.1981(3) 0.101(3) Uani 1 1 d . . . . .
H30A H -0.0921 0.5111 0.1899 0.151 Uiso 1 1 calc R U . . .
H30B H -0.1510 0.6191 0.1847 0.151 Uiso 1 1 calc R U . . .
H30C H -0.1005 0.6362 0.2428 0.151 Uiso 1 1 calc R U . . .
C31 C 0.14768(19) 0.9297(9) 0.0063(3) 0.0693(17) Uani 1 1 d . . . . .
H31 H 0.1355 0.8720 0.0404 0.083 Uiso 1 1 calc R U . . .
C32 C 0.1641(2) 0.8581(6) -0.0459(3) 0.0646(16) Uani 1 1 d . . . . .
H32 H 0.1639 0.7487 -0.0472 0.077 Uiso 1 1 calc R U . . .
C33 C 0.18079(19) 0.9365(8) -0.0961(2) 0.0638(17) Uani 1 1 d . . . . .
H33 H 0.1907 0.8817 -0.1318 0.077 Uiso 1 1 calc R U . . .
C34 C 0.1833(2) 1.0943(9) -0.0953(2) 0.0714(18) Uani 1 1 d . . . . .
H34 H 0.1957 1.1488 -0.1300 0.086 Uiso 1 1 calc R U . . .
C35 C 0.1673(2) 1.1765(6) -0.0421(3) 0.0728(19) Uani 1 1 d . . . . .
H35 H 0.1688 1.2859 -0.0409 0.087 Uiso 1 1 calc R U . . .
C36 C 0.14948(18) 1.0935(9) 0.0077(2) 0.0707(19) Uani 1 1 d . . . . .
H36 H 0.1383 1.1466 0.0433 0.085 Uiso 1 1 calc R U . . .
C37 C 0.37917(18) 0.7852(5) 0.2607(2) 0.0535(13) Uani 1 1 d . . . . .
H37 H 0.3996 0.8572 0.2370 0.064 Uiso 1 1 calc R U . . .
C38 C 0.3446(2) 0.6711(6) 0.23056(19) 0.0497(12) Uani 1 1 d . . . . .
H38 H 0.3413 0.6639 0.1864 0.060 Uiso 1 1 calc R U . . .
C39 C 0.31555(19) 0.5697(5) 0.2642(2) 0.0518(11) Uani 1 1 d . . . . .
H39 H 0.2909 0.4928 0.2430 0.062 Uiso 1 1 calc R U . . .
C40 C 0.32044(19) 0.5736(5) 0.3286(2) 0.0532(13) Uani 1 1 d . . . . .
H40 H 0.3007 0.4975 0.3509 0.064 Uiso 1 1 calc R U . . .
C41 C 0.3534(2) 0.6857(6) 0.35987(17) 0.0541(14) Uani 1 1 d . . . . .
H41 H 0.3554 0.6900 0.4040 0.065 Uiso 1 1 calc R U . . .
C42 C 0.38500(17) 0.7975(6) 0.3270(3) 0.0598(15) Uani 1 1 d . . . . .
H42 H 0.4088 0.8761 0.3482 0.072 Uiso 1 1 calc R U . . .
N1 N 0.27663(11) 1.0172(3) 0.08027(11) 0.0208(5) Uani 1 1 d . . . . .
N2 N 0.31870(11) 0.8979(3) 0.09561(11) 0.0219(5) Uani 1 1 d . . . . .
N3 N 0.25966(10) 0.9554(3) 0.22129(11) 0.0191(5) Uani 1 1 d . . . . .
N4 N 0.20050(10) 0.9264(3) 0.19354(11) 0.0207(5) Uani 1 1 d . . . . .
O1 O 0.29484(10) 0.8262(3) -0.00694(9) 0.0250(4) Uani 1 1 d . . . . .
O2 O 0.49905(11) 0.3366(3) 0.07501(12) 0.0348(6) Uani 1 1 d . . . . .
O3 O 0.19971(9) 0.7427(3) 0.27110(10) 0.0256(5) Uani 1 1 d . . . . .
O4 O -0.07618(13) 0.7261(5) 0.16437(19) 0.0788(14) Uani 1 1 d . . . . .
Cl1 Cl 0.32395(4) 1.14765(11) -0.03807(4) 0.0377(2) Uani 1 1 d . . . . .
Cl2 Cl 0.25245(4) 0.96151(11) 0.36842(3) 0.03032(17) Uani 1 1 d . . . . .
Ru1 Ru 0.23675(2) 1.00941(3) -0.01227(2) 0.02192(6) Uani 1 1 d . . . . .
Ru2 Ru 0.29002(2) 0.79782(3) 0.29106(2) 0.02029(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.393(5) . ?
C1 C2 1.397(5) . ?
C1 C7 1.472(4) . ?
C2 C3 1.376(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.372(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(6) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 N1 1.288(4) . ?
C7 C8 1.505(4) . ?
C8 N3 1.299(4) . ?
C8 C9 1.477(4) . ?
C9 C14 1.392(4) . ?
C9 C10 1.398(4) . ?
C10 C11 1.391(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.377(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.388(5) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 O1 1.292(3) . ?
C15 N2 1.315(4) . ?
C15 C16 1.473(4) . ?
C16 C21 1.394(4) . ?
C16 C17 1.399(4) . ?
C17 C18 1.381(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(5) . ?
C18 H18 0.9500 . ?
C19 O2 1.365(4) . ?
C19 C20 1.389(4) . ?
C20 C21 1.379(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 O2 1.427(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 O3 1.287(4) . ?
C23 N4 1.316(4) . ?
C23 C24 1.483(4) . ?
C24 C29 1.387(4) . ?
C24 C25 1.400(4) . ?
C25 C26 1.380(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.389(5) . ?
C26 H26 0.9500 . ?
C27 O4 1.362(4) . ?
C27 C28 1.387(5) . ?
C28 C29 1.388(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 O4 1.432(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.368(8) . ?
C31 C36 1.422(9) . ?
C31 Ru1 2.167(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.362(8) . ?
C32 Ru1 2.147(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.370(9) . ?
C33 Ru1 2.183(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.427(9) . ?
C34 Ru1 2.175(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(9) . ?
C35 Ru1 2.165(4) . ?
C35 H35 0.9500 . ?
C36 Ru1 2.151(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.375(7) . ?
C37 C42 1.428(7) . ?
C37 Ru2 2.146(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.345(7) . ?
C38 Ru2 2.167(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.385(7) . ?
C39 Ru2 2.154(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.355(7) . ?
C40 Ru2 2.188(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.426(7) . ?
C41 Ru2 2.169(4) . ?
C41 H41 0.9500 . ?
C42 Ru2 2.169(3) . ?
C42 H42 0.9500 . ?
N1 N2 1.410(3) . ?
N1 Ru1 2.103(2) . ?
N3 N4 1.408(3) . ?
N3 Ru2 2.095(2) . ?
O1 Ru1 2.041(2) . ?
O3 Ru2 2.061(2) . ?
Cl1 Ru1 2.3872(9) . ?
Cl2 Ru2 2.4040(8) . ?

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
C6 C1 C2 119.4(3) . . ?
C6 C1 C7 119.9(3) . . ?
C2 C1 C7 120.6(3) . . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 120.7(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 121.0(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.6(4) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
N1 C7 C1 123.7(3) . . ?
N1 C7 C8 119.1(3) . . ?
C1 C7 C8 116.9(2) . . ?
N3 C8 C9 123.1(3) . . ?
N3 C8 C7 119.4(2) . . ?
C9 C8 C7 117.4(2) . . ?
C14 C9 C10 119.3(3) . . ?
C14 C9 C8 120.0(3) . . ?
C10 C9 C8 120.7(3) . . ?
C11 C10 C9 120.0(3) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.5(3) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C14 120.0(3) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C9 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
O1 C15 N2 124.7(3) . . ?
O1 C15 C16 116.7(3) . . ?
N2 C15 C16 118.6(3) . . ?
C21 C16 C17 118.2(3) . . ?
C21 C16 C15 120.0(3) . . ?
C17 C16 C15 121.8(3) . . ?
C18 C17 C16 120.8(3) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.0(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
O2 C19 C20 124.5(3) . . ?
O2 C19 C18 115.6(3) . . ?
C20 C19 C18 119.9(3) . . ?
C21 C20 C19 119.7(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C16 121.4(3) . . ?
C20 C21 H21 119.3 . . ?
C16 C21 H21 119.3 . . ?
O2 C22 H22A 109.5 . . ?
O2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O3 C23 N4 125.4(3) . . ?
O3 C23 C24 116.9(3) . . ?
N4 C23 C24 117.6(3) . . ?
C29 C24 C25 118.7(3) . . ?
C29 C24 C23 119.5(3) . . ?
C25 C24 C23 121.8(3) . . ?
C26 C25 C24 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 120.1(3) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
O4 C27 C28 123.9(4) . . ?
O4 C27 C26 115.6(3) . . ?
C28 C27 C26 120.5(3) . . ?
C27 C28 C29 119.0(3) . . ?
C27 C28 H28 120.5 . . ?
C29 C28 H28 120.5 . . ?
C24 C29 C28 121.4(3) . . ?
C24 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
O4 C30 H30A 109.5 . . ?
O4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 117.5(5) . . ?
C32 C31 Ru1 70.7(3) . . ?
C36 C31 Ru1 70.2(3) . . ?
C32 C31 H31 121.2 . . ?
C36 C31 H31 121.2 . . ?
Ru1 C31 H31 130.2 . . ?
C33 C32 C31 123.0(5) . . ?
C33 C32 Ru1 73.1(3) . . ?
C31 C32 Ru1 72.3(3) . . ?
C33 C32 H32 118.5 . . ?
C31 C32 H32 118.5 . . ?
Ru1 C32 H32 128.6 . . ?
C32 C33 C34 120.1(5) . . ?
C32 C33 Ru1 70.2(2) . . ?
C34 C33 Ru1 71.4(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
Ru1 C33 H33 131.3 . . ?
C33 C34 C35 119.9(5) . . ?
C33 C34 Ru1 72.0(2) . . ?
C35 C34 Ru1 70.5(2) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
Ru1 C34 H34 130.0 . . ?
C36 C35 C34 118.6(5) . . ?
C36 C35 Ru1 70.7(3) . . ?
C34 C35 Ru1 71.2(3) . . ?
C36 C35 H35 120.7 . . ?
C34 C35 H35 120.7 . . ?
Ru1 C35 H35 129.7 . . ?
C35 C36 C31 120.9(5) . . ?
C35 C36 Ru1 71.9(3) . . ?
C31 C36 Ru1 71.4(3) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
Ru1 C36 H36 129.7 . . ?
C38 C37 C42 121.2(4) . . ?
C38 C37 Ru2 72.2(2) . . ?
C42 C37 Ru2 71.6(2) . . ?
C38 C37 H37 119.4 . . ?
C42 C37 H37 119.4 . . ?
Ru2 C37 H37 129.3 . . ?
C39 C38 C37 119.3(4) . . ?
C39 C38 Ru2 71.3(2) . . ?
C37 C38 Ru2 70.6(2) . . ?
C39 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
Ru2 C38 H38 130.2 . . ?
C38 C39 C40 122.2(4) . . ?
C38 C39 Ru2 72.4(3) . . ?
C40 C39 Ru2 72.7(3) . . ?
C38 C39 H39 118.9 . . ?
C40 C39 H39 118.9 . . ?
Ru2 C39 H39 128.3 . . ?
C41 C40 C39 120.1(4) . . ?
C41 C40 Ru2 71.1(2) . . ?
C39 C40 Ru2 70.1(2) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
Ru2 C40 H40 131.7 . . ?
C40 C41 C42 120.5(4) . . ?
C40 C41 Ru2 72.6(2) . . ?
C42 C41 Ru2 70.8(2) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
Ru2 C41 H41 129.2 . . ?
C41 C42 C37 116.6(4) . . ?
C41 C42 Ru2 70.8(2) . . ?
C37 C42 Ru2 69.8(2) . . ?
C41 C42 H42 121.7 . . ?
C37 C42 H42 121.7 . . ?
Ru2 C42 H42 130.0 . . ?
C7 N1 N2 114.2(2) . . ?
C7 N1 Ru1 131.6(2) . . ?
N2 N1 Ru1 113.85(17) . . ?
C15 N2 N1 110.9(2) . . ?
C8 N3 N4 114.3(2) . . ?
C8 N3 Ru2 130.10(19) . . ?
N4 N3 Ru2 114.03(18) . . ?
C23 N4 N3 110.4(2) . . ?
C15 O1 Ru1 113.59(19) . . ?
C19 O2 C22 118.0(3) . . ?
C23 O3 Ru2 112.65(18) . . ?
C27 O4 C30 116.8(3) . . ?
O1 Ru1 N1 76.64(9) . . ?
O1 Ru1 C32 89.44(14) . . ?
N1 Ru1 C32 124.79(19) . . ?
O1 Ru1 C36 145.8(2) . . ?
N1 Ru1 C36 95.67(14) . . ?
C32 Ru1 C36 67.4(2) . . ?
O1 Ru1 C35 164.53(18) . . ?
N1 Ru1 C35 118.64(19) . . ?
C32 Ru1 C35 79.76(19) . . ?
C36 Ru1 C35 37.4(2) . . ?
O1 Ru1 C31 108.8(2) . . ?
N1 Ru1 C31 97.93(15) . . ?
C32 Ru1 C31 37.0(2) . . ?
C36 Ru1 C31 38.5(2) . . ?
C35 Ru1 C31 68.6(2) . . ?
O1 Ru1 C34 126.8(2) . . ?
N1 Ru1 C34 156.1(2) . . ?
C32 Ru1 C34 66.4(2) . . ?
C36 Ru1 C34 67.9(2) . . ?
C35 Ru1 C34 38.4(2) . . ?
C31 Ru1 C34 80.2(2) . . ?
O1 Ru1 C33 97.11(16) . . ?
N1 Ru1 C33 161.2(2) . . ?
C32 Ru1 C33 36.7(2) . . ?
C36 Ru1 C33 79.48(16) . . ?
C35 Ru1 C33 67.6(2) . . ?
C31 Ru1 C33 67.0(2) . . ?
C34 Ru1 C33 36.6(2) . . ?
O1 Ru1 Cl1 83.32(7) . . ?
N1 Ru1 Cl1 86.15(7) . . ?
C32 Ru1 Cl1 145.62(19) . . ?
C36 Ru1 Cl1 129.9(2) . . ?
C35 Ru1 Cl1 99.34(18) . . ?
C31 Ru1 Cl1 167.8(2) . . ?
C34 Ru1 Cl1 91.40(15) . . ?
C33 Ru1 Cl1 110.96(17) . . ?
O3 Ru2 N3 76.47(9) . . ?
O3 Ru2 C37 146.00(17) . . ?
N3 Ru2 C37 93.04(13) . . ?
O3 Ru2 C39 90.36(14) . . ?
N3 Ru2 C39 118.70(15) . . ?
C37 Ru2 C39 66.18(19) . . ?
O3 Ru2 C38 110.20(15) . . ?
N3 Ru2 C38 93.22(13) . . ?
C37 Ru2 C38 37.19(19) . . ?
C39 Ru2 C38 36.27(19) . . ?
O3 Ru2 C41 125.96(17) . . ?
N3 Ru2 C41 157.56(17) . . ?
C37 Ru2 C41 68.51(17) . . ?
C39 Ru2 C41 66.62(18) . . ?
C38 Ru2 C41 79.83(15) . . ?
O3 Ru2 C42 164.07(17) . . ?
N3 Ru2 C42 119.24(18) . . ?
C37 Ru2 C42 38.7(2) . . ?
C39 Ru2 C42 79.84(17) . . ?
C38 Ru2 C42 68.58(18) . . ?
C41 Ru2 C42 38.4(2) . . ?
O3 Ru2 C40 97.33(14) . . ?
N3 Ru2 C40 155.75(17) . . ?
C37 Ru2 C40 78.99(15) . . ?
C39 Ru2 C40 37.19(19) . . ?
C38 Ru2 C40 66.58(17) . . ?
C41 Ru2 C40 36.23(19) . . ?
C42 Ru2 C40 67.31(19) . . ?
O3 Ru2 Cl2 83.43(7) . . ?
N3 Ru2 Cl2 90.31(7) . . ?
C37 Ru2 Cl2 129.48(16) . . ?
C39 Ru2 Cl2 148.06(15) . . ?
C38 Ru2 Cl2 166.36(14) . . ?
C41 Ru2 Cl2 91.97(11) . . ?
C42 Ru2 Cl2 98.24(13) . . ?
C40 Ru2 Cl2 112.52(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -1.8(5) . . . . ?
C7 C1 C2 C3 -177.1(3) . . . . ?
C1 C2 C3 C4 -0.4(6) . . . . ?
C2 C3 C4 C5 1.3(7) . . . . ?
C3 C4 C5 C6 0.0(8) . . . . ?
C4 C5 C6 C1 -2.2(8) . . . . ?
C2 C1 C6 C5 3.0(6) . . . . ?
C7 C1 C6 C5 178.5(4) . . . . ?
C6 C1 C7 N1 140.8(3) . . . . ?
C2 C1 C7 N1 -43.8(4) . . . . ?
C6 C1 C7 C8 -44.8(4) . . . . ?
C2 C1 C7 C8 130.6(3) . . . . ?
N1 C7 C8 N3 -83.6(4) . . . . ?
C1 C7 C8 N3 101.7(3) . . . . ?
N1 C7 C8 C9 100.9(3) . . . . ?
C1 C7 C8 C9 -73.7(3) . . . . ?
N3 C8 C9 C14 147.9(3) . . . . ?
C7 C8 C9 C14 -36.8(4) . . . . ?
N3 C8 C9 C10 -35.8(5) . . . . ?
C7 C8 C9 C10 139.5(3) . . . . ?
C14 C9 C10 C11 -1.3(5) . . . . ?
C8 C9 C10 C11 -177.7(3) . . . . ?
C9 C10 C11 C12 0.4(5) . . . . ?
C10 C11 C12 C13 0.0(6) . . . . ?
C11 C12 C13 C14 0.5(6) . . . . ?
C12 C13 C14 C9 -1.4(6) . . . . ?
C10 C9 C14 C13 1.8(5) . . . . ?
C8 C9 C14 C13 178.2(3) . . . . ?
O1 C15 C16 C21 -19.3(4) . . . . ?
N2 C15 C16 C21 159.8(3) . . . . ?
O1 C15 C16 C17 160.7(3) . . . . ?
N2 C15 C16 C17 -20.2(4) . . . . ?
C21 C16 C17 C18 -2.0(5) . . . . ?
C15 C16 C17 C18 178.0(3) . . . . ?
C16 C17 C18 C19 0.0(5) . . . . ?
C17 C18 C19 O2 -177.5(3) . . . . ?
C17 C18 C19 C20 2.3(5) . . . . ?
O2 C19 C20 C21 177.3(3) . . . . ?
C18 C19 C20 C21 -2.5(5) . . . . ?
C19 C20 C21 C16 0.5(5) . . . . ?
C17 C16 C21 C20 1.8(5) . . . . ?
C15 C16 C21 C20 -178.2(3) . . . . ?
O3 C23 C24 C29 -0.5(4) . . . . ?
N4 C23 C24 C29 -179.4(3) . . . . ?
O3 C23 C24 C25 177.9(3) . . . . ?
N4 C23 C24 C25 -1.1(4) . . . . ?
C29 C24 C25 C26 -0.6(5) . . . . ?
C23 C24 C25 C26 -178.9(3) . . . . ?
C24 C25 C26 C27 0.8(6) . . . . ?
C25 C26 C27 O4 179.8(4) . . . . ?
C25 C26 C27 C28 -0.6(7) . . . . ?
O4 C27 C28 C29 179.9(5) . . . . ?
C26 C27 C28 C29 0.3(7) . . . . ?
C25 C24 C29 C28 0.3(5) . . . . ?
C23 C24 C29 C28 178.7(3) . . . . ?
C27 C28 C29 C24 -0.2(6) . . . . ?
C36 C31 C32 C33 -1.2(6) . . . . ?
Ru1 C31 C32 C33 -55.2(4) . . . . ?
C36 C31 C32 Ru1 54.0(3) . . . . ?
C31 C32 C33 C34 1.8(7) . . . . ?
Ru1 C32 C33 C34 -53.0(4) . . . . ?
C31 C32 C33 Ru1 54.8(4) . . . . ?
C32 C33 C34 C35 -1.2(7) . . . . ?
Ru1 C33 C34 C35 -53.7(4) . . . . ?
C32 C33 C34 Ru1 52.5(4) . . . . ?
C33 C34 C35 C36 0.0(6) . . . . ?
Ru1 C34 C35 C36 -54.4(4) . . . . ?
C33 C34 C35 Ru1 54.4(4) . . . . ?
C34 C35 C36 C31 0.5(6) . . . . ?
Ru1 C35 C36 C31 -54.0(4) . . . . ?
C34 C35 C36 Ru1 54.6(4) . . . . ?
C32 C31 C36 C35 0.0(6) . . . . ?
Ru1 C31 C36 C35 54.2(4) . . . . ?
C32 C31 C36 Ru1 -54.3(4) . . . . ?
C42 C37 C38 C39 0.3(6) . . . . ?
Ru2 C37 C38 C39 -54.1(3) . . . . ?
C42 C37 C38 Ru2 54.4(3) . . . . ?
C37 C38 C39 C40 -1.7(6) . . . . ?
Ru2 C38 C39 C40 -55.4(4) . . . . ?
C37 C38 C39 Ru2 53.7(3) . . . . ?
C38 C39 C40 C41 2.7(6) . . . . ?
Ru2 C39 C40 C41 -52.6(3) . . . . ?
C38 C39 C40 Ru2 55.2(4) . . . . ?
C39 C40 C41 C42 -2.2(6) . . . . ?
Ru2 C40 C41 C42 -54.3(3) . . . . ?
C39 C40 C41 Ru2 52.1(3) . . . . ?
C40 C41 C42 C37 0.9(5) . . . . ?
Ru2 C41 C42 C37 -54.3(3) . . . . ?
C40 C41 C42 Ru2 55.1(3) . . . . ?
C38 C37 C42 C41 0.1(5) . . . . ?
Ru2 C37 C42 C41 54.8(3) . . . . ?
C38 C37 C42 Ru2 -54.7(3) . . . . ?
C1 C7 N1 N2 165.2(3) . . . . ?
C8 C7 N1 N2 -9.1(4) . . . . ?
C1 C7 N1 Ru1 -22.0(4) . . . . ?
C8 C7 N1 Ru1 163.7(2) . . . . ?
O1 C15 N2 N1 -6.2(4) . . . . ?
C16 C15 N2 N1 174.7(2) . . . . ?
C7 N1 N2 C15 177.8(3) . . . . ?
Ru1 N1 N2 C15 3.6(3) . . . . ?
C9 C8 N3 N4 163.2(3) . . . . ?
C7 C8 N3 N4 -12.0(4) . . . . ?
C9 C8 N3 Ru2 -32.3(4) . . . . ?
C7 C8 N3 Ru2 152.5(2) . . . . ?
O3 C23 N4 N3 -8.1(4) . . . . ?
C24 C23 N4 N3 170.7(2) . . . . ?
C8 N3 N4 C23 178.2(3) . . . . ?
Ru2 N3 N4 C23 11.1(3) . . . . ?
N2 C15 O1 Ru1 5.6(4) . . . . ?
C16 C15 O1 Ru1 -175.4(2) . . . . ?
C20 C19 O2 C22 -3.6(5) . . . . ?
C18 C19 O2 C22 176.2(3) . . . . ?
N4 C23 O3 Ru2 0.8(4) . . . . ?
C24 C23 O3 Ru2 -178.0(2) . . . . ?
C28 C27 O4 C30 0.1(9) . . . . ?
C26 C27 O4 C30 179.7(6) . . . . ?

_refine_diff_density_max         2.327
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.104

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 -0.036 0.000 236.3 38.6
2 1.000 -0.012 0.500 236.3 38.7
_platon_squeeze_details          
;
 The residual electron density was assigned to a molecule of the
 ethanol solvent [77/4 = 19 e per asymmetric unit; one molecule of
 C2H5OH would give 26e].
;

_shelxl_version_number           2013-4



