# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
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data_u17_0m
_database_code_depnum_ccdc_archive 'CCDC 1432987'
_audit_update_record             
;
2015-10-23 deposited with the CCDC.
2016-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H45 Cl F12 N10 O3 P2 Ru2'
_chemical_formula_weight         1361.49

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   36.067(3)
_cell_length_b                   15.5582(10)
_cell_length_c                   18.7893(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.869(4)
_cell_angle_gamma                90.00
_cell_volume                     10530.1(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5063
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      23.56

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5456
_exptl_absorpt_coefficient_mu    0.782
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_suppport 
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_type              'Bruker-Nonius FR 591'
_diffrn_source_power             50
_diffrn_source_current           70
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            36553
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_sigmaI/netI    0.0895
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.13
_diffrn_reflns_theta_max         24.75
_reflns_number_total             8988
_reflns_number_gt                5573
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_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)+(0.0952P)²+28.7851P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8988
_refine_ls_number_parameters     1062
_refine_ls_number_restraints     1400
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0619
_refine_ls_wR_factor_ref         0.1812
_refine_ls_wR_factor_gt          0.1498
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      0.990
_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 0.123799(18) 0.26429(4) 1.01829(3) 0.0389(2) Uani 1 1 d . . .
Ru2 Ru 0.094777(19) 0.05999(4) 0.91023(3) 0.0361(2) Uani 1 1 d . . .
Cl1 Cl 0.09228(6) 0.12460(11) 1.02880(8) 0.0409(5) Uani 1 1 d . A .
N2 N 0.12116(18) 0.2860(4) 1.1212(3) 0.0409(15) Uani 1 1 d . A .
N3 N 0.07325(17) 0.3260(3) 1.0218(3) 0.0345(14) Uani 1 1 d . A .
N4 N 0.14887(18) 0.3725(4) 0.9794(3) 0.0475(17) Uani 1 1 d . A .
N5 N 0.12822(16) 0.2388(4) 0.9152(3) 0.0336(14) Uani 1 1 d . A .
N6 N 0.12046(16) 0.1669(3) 0.8800(3) 0.0316(13) Uani 1 1 d . A .
N7 N 0.10548(16) 0.0350(3) 0.8059(3) 0.0325(14) Uani 1 1 d . A .
O1 O 0.11610(17) 0.3136(4) 1.3373(3) 0.0596(16) Uani 1 1 d . A .
N1 N 0.1737(10) 0.212(4) 1.0541(14) 0.050(4) Uani 0.50 1 d PDU A 1
C1 C 0.2038(5) 0.1898(14) 1.0175(8) 0.050(4) Uani 0.50 1 d PDU A 1
H1 H 0.2023 0.1947 0.9681 0.061 Uiso 0.50 1 calc PR A 1
C2 C 0.2365(4) 0.1605(11) 1.0504(9) 0.051(4) Uani 0.50 1 d PDU A 1
H2 H 0.2554 0.1399 1.0230 0.061 Uiso 0.50 1 calc PR A 1
C3 C 0.2411(4) 0.1616(11) 1.1225(9) 0.051(4) Uani 0.50 1 d PDU A 1
H3 H 0.2635 0.1444 1.1449 0.061 Uiso 0.50 1 calc PR A 1
C4 C 0.2118(7) 0.1892(15) 1.1628(8) 0.051(4) Uani 0.50 1 d PDU A 1
H4 H 0.2149 0.1935 1.2121 0.061 Uiso 0.50 1 calc PR A 1
C5 C 0.1775(8) 0.210(4) 1.1280(14) 0.050(4) Uani 0.50 1 d PDU A 1
N1' N 0.1738(17) 0.216(7) 1.0570(18) 0.050(4) Uani 0.30 1 d PDU A 2
C1' C 0.1973(8) 0.168(2) 1.0190(13) 0.050(4) Uani 0.30 1 d PDU A 2
H1' H 0.1911 0.1572 0.9712 0.060 Uiso 0.30 1 calc PR A 2
C2' C 0.2301(7) 0.134(2) 1.0487(14) 0.051(4) Uani 0.30 1 d PDU A 2
H2' H 0.2480 0.1131 1.0195 0.061 Uiso 0.30 1 calc PR A 2
C3' C 0.2359(7) 0.132(2) 1.1207(15) 0.051(4) Uani 0.30 1 d PDU A 2
H3' H 0.2568 0.1054 1.1414 0.061 Uiso 0.30 1 calc PR A 2
C4' C 0.2100(10) 0.171(3) 1.1632(12) 0.051(4) Uani 0.30 1 d PDU A 2
H4' H 0.2122 0.1662 1.2125 0.061 Uiso 0.30 1 calc PR A 2
C5' C 0.1805(15) 0.219(7) 1.1304(18) 0.050(4) Uani 0.30 1 d PDU A 2
N1" N 0.1766(11) 0.231(6) 1.055(3) 0.050(4) Uani 0.20 1 d PDU A 3
C1" C 0.2060(11) 0.211(4) 1.016(2) 0.050(4) Uani 0.20 1 d PDU A 3
H1" H 0.2023 0.2066 0.9666 0.061 Uiso 0.20 1 calc PR A 3
C2" C 0.2412(9) 0.196(3) 1.0458(18) 0.051(4) Uani 0.20 1 d PDU A 3
H2" H 0.2608 0.1852 1.0167 0.061 Uiso 0.20 1 calc PR A 3
C3" C 0.2471(9) 0.196(3) 1.1178(18) 0.051(4) Uani 0.20 1 d PDU A 3
H3" H 0.2703 0.1827 1.1384 0.061 Uiso 0.20 1 calc PR A 3
C4" C 0.2178(12) 0.218(3) 1.160(2) 0.051(4) Uani 0.20 1 d PDU A 3
H4" H 0.2219 0.2242 1.2094 0.061 Uiso 0.20 1 calc PR A 3
C5" C 0.1820(13) 0.231(7) 1.129(3) 0.050(4) Uani 0.20 1 d PDU A 3
C6 C 0.1487(2) 0.2558(5) 1.1663(4) 0.0433(19) Uani 1 1 d D . .
C7 C 0.1466(2) 0.2638(5) 1.2392(4) 0.048(2) Uani 1 1 d . A .
H7 H 0.1656 0.2433 1.2701 0.058 Uiso 1 1 calc R . .
C8 C 0.1156(2) 0.3031(5) 1.2653(4) 0.045(2) Uani 1 1 d . . .
C9 C 0.0867(2) 0.3321(5) 1.2193(4) 0.0413(19) Uani 1 1 d . A .
H9 H 0.0657 0.3579 1.2366 0.050 Uiso 1 1 calc R . .
C10 C 0.0904(2) 0.3210(4) 1.1467(4) 0.0370(18) Uani 1 1 d . . .
C11 C 0.0626(2) 0.3435(4) 1.0892(3) 0.0345(17) Uani 1 1 d . A .
C12 C 0.0288(2) 0.3810(4) 1.1006(4) 0.0383(18) Uani 1 1 d . . .
H12 H 0.0218 0.3916 1.1468 0.046 Uiso 1 1 calc R A .
C13 C 0.0054(2) 0.4027(4) 1.0434(4) 0.0435(19) Uani 1 1 d . A .
H13 H -0.0175 0.4279 1.0502 0.052 Uiso 1 1 calc R . .
C14 C 0.0166(2) 0.3865(4) 0.9757(4) 0.0393(18) Uani 1 1 d . . .
H14 H 0.0013 0.4010 0.9363 0.047 Uiso 1 1 calc R A .
C15 C 0.0502(2) 0.3490(4) 0.9667(4) 0.0408(19) Uani 1 1 d . A .
H15 H 0.0574 0.3390 0.9206 0.049 Uiso 1 1 calc R . .
C16 C 0.0861(3) 0.3613(6) 1.3672(4) 0.062(3) Uani 1 1 d . . .
H16A H 0.0841 0.4167 1.3449 0.093 Uiso 1 1 calc R A .
H16B H 0.0912 0.3684 1.4175 0.093 Uiso 1 1 calc R . .
H16C H 0.0633 0.3304 1.3591 0.093 Uiso 1 1 calc R . .
C17 C 0.1586(3) 0.4437(6) 1.0166(5) 0.065(3) Uani 1 1 d . . .
H17 H 0.1546 0.4446 1.0651 0.078 Uiso 1 1 calc R A .
C18 C 0.1741(3) 0.5154(6) 0.9868(5) 0.072(3) Uani 1 1 d . A .
H18 H 0.1801 0.5629 1.0151 0.086 Uiso 1 1 calc R . .
C19 C 0.1805(3) 0.5166(6) 0.9159(5) 0.067(3) Uani 1 1 d . . .
H19 H 0.1907 0.5647 0.8950 0.080 Uiso 1 1 calc R A .
C20 C 0.1714(2) 0.4445(5) 0.8761(5) 0.053(2) Uani 1 1 d . A .
H20 H 0.1756 0.4436 0.8277 0.064 Uiso 1 1 calc R . .
C21 C 0.1560(2) 0.3730(5) 0.9082(4) 0.0403(18) Uani 1 1 d . . .
C22 C 0.1453(2) 0.2938(5) 0.8720(4) 0.0391(18) Uani 1 1 d . A .
C23 C 0.1489(2) 0.2550(5) 0.8056(4) 0.0386(18) Uani 1 1 d . . .
H23 H 0.1597 0.2773 0.7656 0.046 Uiso 1 1 calc R A .
C24 C 0.1324(2) 0.1744(4) 0.8137(3) 0.0325(16) Uani 1 1 d . A .
C25 C 0.1245(2) 0.0973(4) 0.7705(3) 0.0336(17) Uani 1 1 d . . .
C26 C 0.1352(2) 0.0840(5) 0.7018(3) 0.0370(18) Uani 1 1 d . A .
H26 H 0.1487 0.1260 0.6791 0.044 Uiso 1 1 calc R . .
C27 C 0.1261(2) 0.0087(5) 0.6670(3) 0.0395(18) Uani 1 1 d . . .
H27 H 0.1330 -0.0005 0.6206 0.047 Uiso 1 1 calc R A .
C28 C 0.1065(2) -0.0527(4) 0.7018(3) 0.0370(18) Uani 1 1 d . A .
H28 H 0.0998 -0.1042 0.6794 0.044 Uiso 1 1 calc R . .
C29 C 0.0969(2) -0.0368(4) 0.7703(3) 0.0377(18) Uani 1 1 d . . .
H29 H 0.0835 -0.0788 0.7932 0.045 Uiso 1 1 calc R A .
N8 N 0.1342(3) -0.0252(8) 0.9425(11) 0.0470(17) Uani 0.50 1 d PDU A 1
N9 N 0.0624(3) -0.0458(8) 0.9330(11) 0.0416(15) Uani 0.50 1 d PDU A 1
N10 N 0.0391(3) 0.0986(10) 0.882(2) 0.0375(14) Uani 0.50 1 d PDU A 1
C30 C 0.1708(4) -0.0113(9) 0.9409(12) 0.0507(18) Uani 0.50 1 d PDU A 1
H30 H 0.1792 0.0424 0.9273 0.061 Uiso 0.50 1 calc PR A 1
C31 C 0.1966(4) -0.0756(9) 0.9590(9) 0.0534(19) Uani 0.50 1 d PDU A 1
H31 H 0.2219 -0.0658 0.9555 0.064 Uiso 0.50 1 calc PR A 1
C32 C 0.1840(4) -0.1527(10) 0.9819(9) 0.0535(19) Uani 0.50 1 d PDU A 1
H32 H 0.2009 -0.1945 0.9977 0.064 Uiso 0.50 1 calc PR A 1
C33 C 0.1466(4) -0.1698(9) 0.9821(8) 0.0512(18) Uani 0.50 1 d PDU A 1
H33 H 0.1382 -0.2242 0.9938 0.061 Uiso 0.50 1 calc PR A 1
C34 C 0.1213(4) -0.1033(8) 0.9643(10) 0.0481(16) Uani 0.50 1 d PDU A 1
C35 C 0.0810(4) -0.1147(8) 0.9602(10) 0.0453(15) Uani 0.50 1 d PDU A 1
C36 C 0.0606(5) -0.1867(8) 0.9816(9) 0.0466(18) Uani 0.50 1 d PDU A 1
H36 H 0.0722 -0.2354 1.0009 0.056 Uiso 0.50 1 calc PR A 1
C37 C 0.0226(5) -0.1807(8) 0.9724(9) 0.0451(18) Uani 0.50 1 d PDU A 1
H37 H 0.0086 -0.2279 0.9855 0.054 Uiso 0.50 1 calc PR A 1
C38 C 0.0038(4) -0.1104(8) 0.9454(9) 0.0429(17) Uani 0.50 1 d PDU A 1
H38 H -0.0220 -0.1091 0.9409 0.052 Uiso 0.50 1 calc PR A 1
C39 C 0.0253(4) -0.0409(8) 0.9249(11) 0.0402(14) Uani 0.50 1 d PDU A 1
C40 C 0.0122(3) 0.0359(9) 0.8923(12) 0.0382(14) Uani 0.50 1 d PDU A 1
C41 C -0.0251(4) 0.0536(8) 0.8739(10) 0.0394(17) Uani 0.50 1 d PDU A 1
H41 H -0.0434 0.0133 0.8826 0.047 Uiso 0.50 1 calc PR A 1
C42 C -0.0343(4) 0.1296(9) 0.8436(10) 0.0411(17) Uani 0.50 1 d PDU A 1
H42 H -0.0589 0.1394 0.8288 0.049 Uiso 0.50 1 calc PR A 1
C43 C -0.0089(4) 0.1925(9) 0.8340(12) 0.0406(16) Uani 0.50 1 d PDU A 1
H43 H -0.0142 0.2477 0.8175 0.049 Uiso 0.50 1 calc PR A 1
C44 C 0.0268(11) 0.1607(17) 0.853(2) 0.0390(15) Uani 0.50 1 d PU A 1
H44 H 0.0454 0.1982 0.8401 0.047 Uiso 0.50 1 calc PR A 1
N8' N 0.1431(3) -0.0076(8) 0.9457(12) 0.0483(18) Uani 0.50 1 d PDU A 2
N9' N 0.0727(3) -0.0470(8) 0.9388(11) 0.0420(16) Uani 0.50 1 d PDU A 2
N10' N 0.0422(3) 0.0891(11) 0.885(2) 0.0377(14) Uani 0.50 1 d PDU A 2
C30' C 0.1788(4) 0.0152(10) 0.9428(12) 0.0519(19) Uani 0.50 1 d PDU A 2
H30' H 0.1846 0.0673 0.9219 0.062 Uiso 0.50 1 calc PR A 2
C31' C 0.2075(4) -0.0372(10) 0.9704(9) 0.054(2) Uani 0.50 1 d PDU A 2
H31' H 0.2321 -0.0193 0.9699 0.065 Uiso 0.50 1 calc PR A 2
C32' C 0.1987(4) -0.1149(10) 0.9981(9) 0.0547(19) Uani 0.50 1 d PDU A 2
H32' H 0.2175 -0.1508 1.0162 0.066 Uiso 0.50 1 calc PR A 2
C33' C 0.1624(4) -0.1413(10) 0.9997(8) 0.0522(18) Uani 0.50 1 d PDU A 2
H33' H 0.1565 -0.1941 1.0195 0.063 Uiso 0.50 1 calc PR A 2
C34' C 0.1342(4) -0.0872(9) 0.9708(10) 0.0490(16) Uani 0.50 1 d PDU A 2
C35' C 0.0947(4) -0.1087(8) 0.9689(10) 0.0461(15) Uani 0.50 1 d PDU A 2
C36' C 0.0782(5) -0.1854(8) 0.9916(9) 0.0469(18) Uani 0.50 1 d PDU A 2
H36' H 0.0922 -0.2307 1.0108 0.056 Uiso 0.50 1 calc PR A 2
C37' C 0.0400(5) -0.1894(9) 0.9837(9) 0.0456(18) Uani 0.50 1 d PDU A 2
H37' H 0.0285 -0.2392 0.9991 0.055 Uiso 0.50 1 calc PR A 2
C38' C 0.0177(4) -0.1257(8) 0.9551(9) 0.0438(16) Uani 0.50 1 d PDU A 2
H38' H -0.0080 -0.1311 0.9516 0.053 Uiso 0.50 1 calc PR A 2
C39' C 0.0356(4) -0.0523(9) 0.9312(11) 0.0412(15) Uani 0.50 1 d PDU A 2
C40' C 0.0186(3) 0.0207(9) 0.8990(12) 0.0389(14) Uani 0.50 1 d PDU A 2
C41' C -0.0194(3) 0.0282(9) 0.8802(10) 0.0392(16) Uani 0.50 1 d PDU A 2
H41' H -0.0354 -0.0169 0.8888 0.047 Uiso 0.50 1 calc PR A 2
C42' C -0.0324(4) 0.1010(9) 0.8494(10) 0.0404(16) Uani 0.50 1 d PDU A 2
H42' H -0.0576 0.1050 0.8368 0.048 Uiso 0.50 1 calc PR A 2
C43' C -0.0101(4) 0.1688(9) 0.8359(12) 0.0407(16) Uani 0.50 1 d PDU A 2
H43' H -0.0211 0.2160 0.8131 0.049 Uiso 0.50 1 calc PR A 2
C44' C 0.0289(11) 0.1739(17) 0.854(2) 0.0392(15) Uani 0.50 1 d PU A 2
H44' H 0.0437 0.2218 0.8474 0.047 Uiso 0.50 1 calc PR A 2
P1A P 0.5000 0.31182(17) 0.7500 0.0389(7) Uani 1 2 d S . .
F1A F 0.5000 0.2080(3) 0.7500 0.0448(15) Uani 1 2 d S . .
F2A F 0.47340(12) 0.3117(3) 0.8156(2) 0.0463(11) Uani 1 1 d . . .
F3A F 0.5000 0.4145(4) 0.7500 0.0517(17) Uani 1 2 d S . .
F4A F 0.46421(12) 0.3111(3) 0.6957(2) 0.0485(11) Uani 1 1 d . . .
P1B P 0.5000 0.06693(18) 0.2500 0.0450(7) Uani 1 2 d S . .
F1B F 0.47389(15) 0.1385(3) 0.2130(2) 0.0672(15) Uani 1 1 d . . .
F2B F 0.47424(15) -0.0057(3) 0.2137(3) 0.0764(16) Uani 1 1 d . . .
F3B F 0.47508(15) 0.0669(4) 0.3158(2) 0.0740(16) Uani 1 1 d . . .
P1C P 0.2714(2) 0.2148(5) 0.3494(4) 0.0737(15) Uani 0.50 1 d PDU B 1
F1C F 0.3121(2) 0.2559(6) 0.3612(5) 0.078(2) Uani 0.50 1 d PDU B 1
F2C F 0.2688(3) 0.2580(6) 0.2721(4) 0.086(2) Uani 0.50 1 d PDU B 1
F3C F 0.2299(2) 0.1808(8) 0.3381(7) 0.092(2) Uani 0.50 1 d PDU B 1
F4C F 0.2745(3) 0.1755(6) 0.4273(4) 0.084(2) Uani 0.50 1 d PDU B 1
F5C F 0.2550(3) 0.3020(6) 0.3815(5) 0.103(2) Uani 0.50 1 d PDU B 1
F6C F 0.2878(3) 0.1312(5) 0.3173(5) 0.095(2) Uani 0.50 1 d PDU B 1
P1C' P 0.2758(3) 0.1923(6) 0.3522(5) 0.0763(14) Uani 0.50 1 d PU C 2
F1C' F 0.3198(4) 0.1988(10) 0.3679(6) 0.096(2) Uani 0.50 1 d PU C 2
F2C' F 0.2843(3) 0.1579(8) 0.2732(5) 0.079(2) Uani 0.50 1 d PU C 2
F3C' F 0.2364(4) 0.1666(12) 0.3318(9) 0.094(2) Uani 0.50 1 d PU C 2
F4C' F 0.2698(4) 0.2074(9) 0.4340(6) 0.085(2) Uani 0.50 1 d PU C 2
F5C' F 0.2794(4) 0.2818(9) 0.3299(7) 0.100(2) Uani 0.50 1 d PU C 2
F6C' F 0.2791(3) 0.0910(8) 0.3778(6) 0.091(2) Uani 0.50 1 d PU C 2
O1S O 0.2525(3) 0.3926(6) 0.1220(4) 0.123(3) Uani 1 1 d U . .
C1S C 0.2480(4) 0.4213(8) 0.1801(6) 0.092(3) Uani 1 1 d U . .
C2S C 0.2108(3) 0.4266(7) 0.2135(6) 0.092(3) Uani 1 1 d U . .
H2S1 H 0.2035 0.4857 0.2172 0.138 Uiso 1 1 calc R . .
H2S2 H 0.2126 0.4013 0.2601 0.138 Uiso 1 1 calc R . .
H2S3 H 0.1925 0.3961 0.1843 0.138 Uiso 1 1 calc R . .
C3S C 0.2786(3) 0.4585(8) 0.2242(6) 0.103(3) Uani 1 1 d U . .
H3S1 H 0.3010 0.4273 0.2167 0.155 Uiso 1 1 calc R . .
H3S2 H 0.2730 0.4550 0.2735 0.155 Uiso 1 1 calc R . .
H3S3 H 0.2819 0.5176 0.2112 0.155 Uiso 1 1 calc R . .
O1T O 0.4116(3) 0.0971(7) 0.4407(5) 0.137(3) Uani 1 1 d U . .
C1T C 0.4031(3) 0.1184(9) 0.3766(7) 0.100(3) Uani 1 1 d U . .
C2T C 0.3848(3) 0.0559(8) 0.3254(7) 0.105(3) Uani 1 1 d U . .
H2T1 H 0.3892 -0.0016 0.3423 0.157 Uiso 1 1 calc R . .
H2T2 H 0.3949 0.0625 0.2794 0.157 Uiso 1 1 calc R . .
H2T3 H 0.3586 0.0668 0.3216 0.157 Uiso 1 1 calc R . .
C3T C 0.4085(3) 0.2000(8) 0.3514(6) 0.092(3) Uani 1 1 d U . .
H3T1 H 0.3858 0.2322 0.3535 0.139 Uiso 1 1 calc R . .
H3T2 H 0.4156 0.1971 0.3029 0.139 Uiso 1 1 calc R . .
H3T3 H 0.4277 0.2278 0.3801 0.139 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 N2 1.971(6) . ?
Ru1 N5 1.991(5) . ?
Ru1 N1' 2.06(2) . ?
Ru1 N1 2.060(14) . ?
Ru1 N1" 2.06(3) . ?
Ru1 N4 2.063(6) . ?
Ru1 N3 2.065(6) . ?
Ru1 Cl1 2.465(2) . ?
Ru2 N9' 1.932(10) . ?
Ru2 N10' 1.984(10) . ?
Ru2 N6 2.001(6) . ?
Ru2 N8 2.014(10) . ?
Ru2 N7 2.054(5) . ?
Ru2 N9 2.075(10) . ?
Ru2 N8' 2.113(10) . ?
Ru2 N10 2.139(10) . ?
Ru2 Cl1 2.4500(17) . ?
N2 C10 1.344(9) . ?
N2 C6 1.357(9) . ?
N3 C15 1.343(9) . ?
N3 C11 1.368(8) . ?
N4 C17 1.347(10) . ?
N4 C21 1.375(9) . ?
N5 N6 1.322(7) . ?
N5 C22 1.349(9) . ?
N6 C24 1.343(8) . ?
N7 C29 1.331(8) . ?
N7 C25 1.378(9) . ?
O1 C8 1.363(8) . ?
O1 C16 1.447(10) . ?
N1 C1 1.357(17) . ?
N1 C5 1.388(10) . ?
C1 C2 1.382(13) . ?
C2 C3 1.358(13) . ?
C3 C4 1.398(13) . ?
C4 C5 1.407(19) . ?
C5 C6 1.476(9) . ?
N1' C1' 1.357(18) . ?
N1' C5' 1.389(11) . ?
C1' C2' 1.383(13) . ?
C2' C3' 1.359(13) . ?
C3' C4' 1.398(13) . ?
C4' C5' 1.41(2) . ?
C5' C6 1.476(9) . ?
N1" C1" 1.357(17) . ?
N1" C5" 1.389(11) . ?
C1" C2" 1.382(13) . ?
C2" C3" 1.358(13) . ?
C3" C4" 1.398(13) . ?
C4" C5" 1.408(19) . ?
C5" C6 1.479(10) . ?
C6 C7 1.382(10) . ?
C7 C8 1.386(11) . ?
C8 C9 1.395(11) . ?
C9 C10 1.389(10) . ?
C10 C11 1.479(10) . ?
C11 C12 1.381(10) . ?
C12 C13 1.374(10) . ?
C13 C14 1.376(10) . ?
C14 C15 1.363(10) . ?
C17 C18 1.379(12) . ?
C18 C19 1.364(12) . ?
C19 C20 1.377(11) . ?
C20 C21 1.393(11) . ?
C21 C22 1.451(10) . ?
C22 C23 1.398(9) . ?
C23 C24 1.399(10) . ?
C24 C25 1.469(9) . ?
C25 C26 1.382(9) . ?
C26 C27 1.373(10) . ?
C27 C28 1.374(10) . ?
C28 C29 1.371(9) . ?
N8 C30 1.339(13) . ?
N8 C34 1.369(13) . ?
N9 C39 1.342(12) . ?
N9 C35 1.350(11) . ?
N10 C44 1.18(4) . ?
N10 C40 1.396(10) . ?
C30 C31 1.398(13) . ?
C31 C32 1.361(17) . ?
C32 C33 1.375(19) . ?
C33 C34 1.408(14) . ?
C34 C35 1.465(15) . ?
C35 C36 1.409(14) . ?
C36 C37 1.378(17) . ?
C37 C38 1.370(15) . ?
C38 C39 1.397(12) . ?
C39 C40 1.413(12) . ?
C40 C41 1.400(12) . ?
C41 C42 1.346(13) . ?
C42 C43 1.359(12) . ?
C43 C44 1.41(4) . ?
N8' C30' 1.341(13) . ?
N8' C34' 1.368(13) . ?
N9' C39' 1.343(12) . ?
N9' C35' 1.350(11) . ?
N10' C40' 1.396(10) . ?
N10' C44' 1.51(4) . ?
C30' C31' 1.398(13) . ?
C31' C32' 1.361(17) . ?
C32' C33' 1.374(19) . ?
C33' C34' 1.407(14) . ?
C34' C35' 1.464(15) . ?
C35' C36' 1.409(14) . ?
C36' C37' 1.379(17) . ?
C37' C38' 1.369(15) . ?
C38' C39' 1.396(12) . ?
C39' C40' 1.413(12) . ?
C40' C41' 1.400(12) . ?
C41' C42' 1.346(13) . ?
C42' C43' 1.358(12) . ?
C43' C44' 1.43(4) . ?
P1A F3A 1.597(6) . ?
P1A F2A 1.600(4) . ?
P1A F2A 1.600(4) 2_656 ?
P1A F4A 1.604(4) . ?
P1A F4A 1.604(4) 2_656 ?
P1A F1A 1.616(6) . ?
P1B F3B 1.564(5) 2_655 ?
P1B F3B 1.564(5) . ?
P1B F2B 1.594(5) . ?
P1B F2B 1.594(5) 2_655 ?
P1B F1B 1.595(5) . ?
P1B F1B 1.595(5) 2_655 ?
P1C F6C 1.561(8) . ?
P1C F4C 1.584(8) . ?
P1C F3C 1.593(8) . ?
P1C F2C 1.600(8) . ?
P1C F1C 1.604(8) . ?
P1C F5C 1.611(8) . ?
P1C' F5C' 1.462(16) . ?
P1C' F3C' 1.509(15) . ?
P1C' F4C' 1.580(14) . ?
P1C' F1C' 1.601(15) . ?
P1C' F2C' 1.622(13) . ?
P1C' F6C' 1.651(16) . ?
O1S C1S 1.199(12) . ?
C1S C3S 1.466(16) . ?
C1S C2S 1.512(17) . ?
O1T C1T 1.272(13) . ?
C1T C3T 1.373(16) . ?
C1T C2T 1.498(16) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ru1 N5 177.6(2) . . ?
N2 Ru1 N1' 78.5(9) . . ?
N5 Ru1 N1' 99.2(9) . . ?
N2 Ru1 N1 80.3(7) . . ?
N5 Ru1 N1 97.3(7) . . ?
N1' Ru1 N1 2(3) . . ?
N2 Ru1 N1" 78.7(14) . . ?
N5 Ru1 N1" 99.0(14) . . ?
N1' Ru1 N1" 7(5) . . ?
N1 Ru1 N1" 9(3) . . ?
N2 Ru1 N4 104.5(2) . . ?
N5 Ru1 N4 76.1(2) . . ?
N1' Ru1 N4 92(3) . . ?
N1 Ru1 N4 93(2) . . ?
N1" Ru1 N4 85(3) . . ?
N2 Ru1 N3 78.6(2) . . ?
N5 Ru1 N3 103.7(2) . . ?
N1' Ru1 N3 157.0(9) . . ?
N1 Ru1 N3 158.9(7) . . ?
N1" Ru1 N3 155.5(16) . . ?
N4 Ru1 N3 92.0(2) . . ?
N2 Ru1 Cl1 91.59(18) . . ?
N5 Ru1 Cl1 87.84(17) . . ?
N1' Ru1 Cl1 93(4) . . ?
N1 Ru1 Cl1 91(2) . . ?
N1" Ru1 Cl1 100(3) . . ?
N4 Ru1 Cl1 163.81(17) . . ?
N3 Ru1 Cl1 89.78(16) . . ?
N9' Ru2 N10' 82.0(4) . . ?
N9' Ru2 N6 176.6(4) . . ?
N10' Ru2 N6 101.1(3) . . ?
N9' Ru2 N8 69.1(4) . . ?
N10' Ru2 N8 150.8(4) . . ?
N6 Ru2 N8 107.7(4) . . ?
N9' Ru2 N7 101.7(7) . . ?
N10' Ru2 N7 92.2(11) . . ?
N6 Ru2 N7 77.0(2) . . ?
N8 Ru2 N7 90.0(6) . . ?
N9' Ru2 N9 10.1(4) . . ?
N10' Ru2 N9 71.9(4) . . ?
N6 Ru2 N9 172.6(4) . . ?
N8 Ru2 N9 79.1(4) . . ?
N7 Ru2 N9 100.4(6) . . ?
N9' Ru2 N8' 80.1(4) . . ?
N10' Ru2 N8' 162.1(5) . . ?
N6 Ru2 N8' 96.7(3) . . ?
N8 Ru2 N8' 11.5(5) . . ?
N7 Ru2 N8' 90.9(6) . . ?
N9 Ru2 N8' 90.2(4) . . ?
N9' Ru2 N10 85.2(4) . . ?
N10' Ru2 N10 3.2(5) . . ?
N6 Ru2 N10 97.9(3) . . ?
N8 Ru2 N10 154.1(5) . . ?
N7 Ru2 N10 91.8(11) . . ?
N9 Ru2 N10 75.2(4) . . ?
N8' Ru2 N10 165.3(4) . . ?
N9' Ru2 Cl1 93.8(7) . . ?
N10' Ru2 Cl1 92.6(11) . . ?
N6 Ru2 Cl1 87.45(15) . . ?
N8 Ru2 Cl1 93.1(6) . . ?
N7 Ru2 Cl1 164.31(17) . . ?
N9 Ru2 Cl1 95.3(6) . . ?
N8' Ru2 Cl1 89.1(6) . . ?
N10 Ru2 Cl1 92.1(11) . . ?
Ru2 Cl1 Ru1 104.52(6) . . ?
C10 N2 C6 120.6(6) . . ?
C10 N2 Ru1 120.0(5) . . ?
C6 N2 Ru1 118.9(5) . . ?
C15 N3 C11 118.0(6) . . ?
C15 N3 Ru1 127.8(5) . . ?
C11 N3 Ru1 114.2(5) . . ?
C17 N4 C21 116.4(7) . . ?
C17 N4 Ru1 126.5(6) . . ?
C21 N4 Ru1 117.1(5) . . ?
N6 N5 C22 109.1(5) . . ?
N6 N5 Ru1 129.0(4) . . ?
C22 N5 Ru1 121.4(5) . . ?
N5 N6 C24 108.7(6) . . ?
N5 N6 Ru2 130.6(4) . . ?
C24 N6 Ru2 120.7(5) . . ?
C29 N7 C25 117.2(6) . . ?
C29 N7 Ru2 126.0(5) . . ?
C25 N7 Ru2 116.7(4) . . ?
C8 O1 C16 118.3(7) . . ?
C1 N1 C5 117.5(11) . . ?
C1 N1 Ru1 130.0(19) . . ?
C5 N1 Ru1 112.0(15) . . ?
N1 C1 C2 122.9(9) . . ?
C3 C2 C1 120.0(10) . . ?
C2 C3 C4 119.1(10) . . ?
C3 C4 C5 119.3(9) . . ?
N1 C5 C4 120.6(14) . . ?
N1 C5 C6 116.2(19) . . ?
C4 C5 C6 120.5(17) . . ?
C1' N1' C5' 117.3(12) . . ?
C1' N1' Ru1 125(2) . . ?
C5' N1' Ru1 116.5(18) . . ?
N1' C1' C2' 122.6(11) . . ?
C3' C2' C1' 119.7(11) . . ?
C2' C3' C4' 119.0(11) . . ?
C3' C4' C5' 119.2(10) . . ?
N1' C5' C4' 120.5(17) . . ?
N1' C5' C6 111(2) . . ?
C4' C5' C6 126(3) . . ?
C1" N1" C5" 117.5(10) . . ?
C1" N1" Ru1 128(3) . . ?
C5" N1" Ru1 115(3) . . ?
N1" C1" C2" 123.0(10) . . ?
C3" C2" C1" 120.0(11) . . ?
C2" C3" C4" 119.2(11) . . ?
C3" C4" C5" 119.4(10) . . ?
N1" C5" C4" 120.4(16) . . ?
N1" C5" C6 114(4) . . ?
C4" C5" C6 126(3) . . ?
N2 C6 C7 120.8(7) . . ?
N2 C6 C5' 114.3(16) . . ?
C7 C6 C5' 124.8(15) . . ?
N2 C6 C5 112.0(12) . . ?
C7 C6 C5 127.0(13) . . ?
C5' C6 C5 7(6) . . ?
N2 C6 C5" 112(2) . . ?
C7 C6 C5" 126(2) . . ?
C5' C6 C5" 8(9) . . ?
C5 C6 C5" 14(4) . . ?
C6 C7 C8 118.4(7) . . ?
O1 C8 C7 115.7(7) . . ?
O1 C8 C9 123.3(7) . . ?
C7 C8 C9 121.0(7) . . ?
C10 C9 C8 117.5(7) . . ?
N2 C10 C9 121.5(7) . . ?
N2 C10 C11 112.1(6) . . ?
C9 C10 C11 126.4(7) . . ?
N3 C11 C12 121.3(7) . . ?
N3 C11 C10 114.7(6) . . ?
C12 C11 C10 124.0(6) . . ?
C13 C12 C11 119.6(7) . . ?
C12 C13 C14 118.8(7) . . ?
C15 C14 C13 119.8(7) . . ?
N3 C15 C14 122.6(7) . . ?
N4 C17 C18 123.6(8) . . ?
C19 C18 C17 120.0(8) . . ?
C18 C19 C20 118.2(9) . . ?
C19 C20 C21 120.3(8) . . ?
N4 C21 C20 121.5(7) . . ?
N4 C21 C22 113.1(6) . . ?
C20 C21 C22 125.3(7) . . ?
N5 C22 C23 109.2(6) . . ?
N5 C22 C21 112.0(6) . . ?
C23 C22 C21 138.7(7) . . ?
C22 C23 C24 103.3(6) . . ?
N6 C24 C23 109.7(6) . . ?
N6 C24 C25 112.3(6) . . ?
C23 C24 C25 138.0(6) . . ?
N7 C25 C26 121.0(6) . . ?
N7 C25 C24 113.3(6) . . ?
C26 C25 C24 125.7(7) . . ?
C27 C26 C25 120.1(7) . . ?
C26 C27 C28 118.9(6) . . ?
C29 C28 C27 118.7(7) . . ?
N7 C29 C28 124.1(7) . . ?
C30 N8 C34 119.9(9) . . ?
C30 N8 Ru2 124.6(8) . . ?
C34 N8 Ru2 115.5(8) . . ?
C39 N9 C35 124.1(9) . . ?
C39 N9 Ru2 119.9(6) . . ?
C35 N9 Ru2 115.8(8) . . ?
C44 N10 C40 113.0(19) . . ?
C44 N10 Ru2 132(2) . . ?
C40 N10 Ru2 114.7(6) . . ?
N8 C30 C31 121.7(12) . . ?
C32 C31 C30 118.5(13) . . ?
C31 C32 C33 121.0(12) . . ?
C32 C33 C34 118.7(13) . . ?
N8 C34 C33 119.9(12) . . ?
N8 C34 C35 116.2(9) . . ?
C33 C34 C35 123.6(11) . . ?
N9 C35 C36 118.9(12) . . ?
N9 C35 C34 113.3(9) . . ?
C36 C35 C34 127.7(11) . . ?
C37 C36 C35 116.1(11) . . ?
C38 C37 C36 124.8(11) . . ?
C37 C38 C39 116.7(12) . . ?
N9 C39 C38 119.3(10) . . ?
N9 C39 C40 114.1(8) . . ?
C38 C39 C40 126.6(11) . . ?
N10 C40 C41 119.5(9) . . ?
N10 C40 C39 115.7(9) . . ?
C41 C40 C39 124.7(9) . . ?
C42 C41 C40 119.4(9) . . ?
C41 C42 C43 122.3(10) . . ?
C42 C43 C44 109.2(15) . . ?
N10 C44 C43 136(3) . . ?
C30' N8' C34' 119.6(9) . . ?
C30' N8' Ru2 129.4(8) . . ?
C34' N8' Ru2 110.9(8) . . ?
C39' N9' C35' 124.2(9) . . ?
C39' N9' Ru2 116.5(6) . . ?
C35' N9' Ru2 119.2(8) . . ?
C40' N10' C44' 123.6(16) . . ?
C40' N10' Ru2 111.5(6) . . ?
C44' N10' Ru2 124.9(15) . . ?
N8' C30' C31' 121.8(12) . . ?
C32' C31' C30' 118.4(13) . . ?
C31' C32' C33' 121.1(11) . . ?
C32' C33' C34' 118.8(12) . . ?
N8' C34' C33' 119.9(12) . . ?
N8' C34' C35' 116.2(9) . . ?
C33' C34' C35' 123.8(11) . . ?
N9' C35' C36' 118.8(12) . . ?
N9' C35' C34' 113.4(9) . . ?
C36' C35' C34' 127.8(11) . . ?
C37' C36' C35' 116.1(11) . . ?
C38' C37' C36' 124.9(11) . . ?
C37' C38' C39' 116.6(12) . . ?
N9' C39' C38' 119.3(10) . . ?
N9' C39' C40' 113.9(8) . . ?
C38' C39' C40' 126.7(11) . . ?
N10' C40' C41' 119.2(9) . . ?
N10' C40' C39' 115.9(9) . . ?
C41' C40' C39' 124.9(9) . . ?
C42' C41' C40' 119.6(9) . . ?
C41' C42' C43' 122.4(10) . . ?
C42' C43' C44' 125.7(16) . . ?
C43' C44' N10' 109.4(19) . . ?
F3A P1A F2A 90.06(16) . . ?
F3A P1A F2A 90.06(16) . 2_656 ?
F2A P1A F2A 179.9(3) . 2_656 ?
F3A P1A F4A 90.38(17) . . ?
F2A P1A F4A 89.7(2) . . ?
F2A P1A F4A 90.3(2) 2_656 . ?
F3A P1A F4A 90.38(17) . 2_656 ?
F2A P1A F4A 90.3(2) . 2_656 ?
F2A P1A F4A 89.7(2) 2_656 2_656 ?
F4A P1A F4A 179.2(3) . 2_656 ?
F3A P1A F1A 180.000(2) . . ?
F2A P1A F1A 89.94(16) . . ?
F2A P1A F1A 89.94(16) 2_656 . ?
F4A P1A F1A 89.62(17) . . ?
F4A P1A F1A 89.62(17) 2_656 . ?
F3B P1B F3B 180.0(6) 2_655 . ?
F3B P1B F2B 90.4(3) 2_655 . ?
F3B P1B F2B 89.6(3) . . ?
F3B P1B F2B 89.6(3) 2_655 2_655 ?
F3B P1B F2B 90.4(3) . 2_655 ?
F2B P1B F2B 89.7(4) . 2_655 ?
F3B P1B F1B 90.3(3) 2_655 . ?
F3B P1B F1B 89.7(3) . . ?
F2B P1B F1B 89.4(3) . . ?
F2B P1B F1B 179.1(3) 2_655 . ?
F3B P1B F1B 89.7(3) 2_655 2_655 ?
F3B P1B F1B 90.3(3) . 2_655 ?
F2B P1B F1B 179.1(3) . 2_655 ?
F2B P1B F1B 89.4(3) 2_655 2_655 ?
F1B P1B F1B 91.5(4) . 2_655 ?
F6C P1C F4C 91.5(5) . . ?
F6C P1C F3C 92.4(5) . . ?
F4C P1C F3C 91.0(5) . . ?
F6C P1C F2C 90.3(5) . . ?
F4C P1C F2C 177.7(7) . . ?
F3C P1C F2C 90.3(5) . . ?
F6C P1C F1C 91.5(5) . . ?
F4C P1C F1C 90.3(5) . . ?
F3C P1C F1C 175.9(6) . . ?
F2C P1C F1C 88.3(5) . . ?
F6C P1C F5C 178.9(7) . . ?
F4C P1C F5C 89.4(5) . . ?
F3C P1C F5C 88.2(5) . . ?
F2C P1C F5C 88.8(5) . . ?
F1C P1C F5C 87.9(5) . . ?
F5C' P1C' F3C' 106.0(11) . . ?
F5C' P1C' F4C' 99.0(10) . . ?
F3C' P1C' F4C' 96.4(9) . . ?
F5C' P1C' F1C' 83.8(9) . . ?
F3C' P1C' F1C' 167.3(11) . . ?
F4C' P1C' F1C' 89.7(8) . . ?
F5C' P1C' F2C' 91.6(9) . . ?
F3C' P1C' F2C' 84.1(8) . . ?
F4C' P1C' F2C' 168.8(11) . . ?
F1C' P1C' F2C' 87.7(8) . . ?
F5C' P1C' F6C' 170.8(10) . . ?
F3C' P1C' F6C' 82.7(9) . . ?
F4C' P1C' F6C' 82.5(8) . . ?
F1C' P1C' F6C' 87.1(9) . . ?
F2C' P1C' F6C' 86.4(8) . . ?
O1S C1S C3S 121.9(14) . . ?
O1S C1S C2S 124.2(13) . . ?
C3S C1S C2S 113.8(11) . . ?
O1T C1T C3T 122.5(13) . . ?
O1T C1T C2T 121.1(13) . . ?
C3T C1T C2T 116.3(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N9' Ru2 Cl1 Ru1 175.5(3) . . . . ?
N10' Ru2 Cl1 Ru1 -102.4(3) . . . . ?
N6 Ru2 Cl1 Ru1 -1.35(16) . . . . ?
N8 Ru2 Cl1 Ru1 106.2(3) . . . . ?
N7 Ru2 Cl1 Ru1 5.3(6) . . . . ?
N9 Ru2 Cl1 Ru1 -174.5(3) . . . . ?
N8' Ru2 Cl1 Ru1 95.4(3) . . . . ?
N10 Ru2 Cl1 Ru1 -99.2(3) . . . . ?
N2 Ru1 Cl1 Ru2 -173.73(19) . . . . ?
N5 Ru1 Cl1 Ru2 3.90(17) . . . . ?
N1' Ru1 Cl1 Ru2 -95.2(9) . . . . ?
N1 Ru1 Cl1 Ru2 -93.4(7) . . . . ?
N1" Ru1 Cl1 Ru2 -94.9(14) . . . . ?
N4 Ru1 Cl1 Ru2 11.2(7) . . . . ?
N3 Ru1 Cl1 Ru2 107.66(16) . . . . ?
N5 Ru1 N2 C10 -161(6) . . . . ?
N1' Ru1 N2 C10 -177(4) . . . . ?
N1 Ru1 N2 C10 -176(2) . . . . ?
N1" Ru1 N2 C10 175(3) . . . . ?
N4 Ru1 N2 C10 93.7(6) . . . . ?
N3 Ru1 N2 C10 4.6(5) . . . . ?
Cl1 Ru1 N2 C10 -84.9(5) . . . . ?
N5 Ru1 N2 C6 11(6) . . . . ?
N1' Ru1 N2 C6 -5(4) . . . . ?
N1 Ru1 N2 C6 -4(2) . . . . ?
N1" Ru1 N2 C6 -13(3) . . . . ?
N4 Ru1 N2 C6 -94.2(6) . . . . ?
N3 Ru1 N2 C6 176.7(6) . . . . ?
Cl1 Ru1 N2 C6 87.2(5) . . . . ?
N2 Ru1 N3 C15 176.3(6) . . . . ?
N5 Ru1 N3 C15 -4.3(6) . . . . ?
N1' Ru1 N3 C15 171(9) . . . . ?
N1 Ru1 N3 C15 175(6) . . . . ?
N1" Ru1 N3 C15 153(6) . . . . ?
N4 Ru1 N3 C15 71.8(6) . . . . ?
Cl1 Ru1 N3 C15 -92.1(6) . . . . ?
N2 Ru1 N3 C11 -4.8(5) . . . . ?
N5 Ru1 N3 C11 174.6(5) . . . . ?
N1' Ru1 N3 C11 -10(9) . . . . ?
N1 Ru1 N3 C11 -6(6) . . . . ?
N1" Ru1 N3 C11 -28(6) . . . . ?
N4 Ru1 N3 C11 -109.2(5) . . . . ?
Cl1 Ru1 N3 C11 86.9(4) . . . . ?
N2 Ru1 N4 C17 -4.2(8) . . . . ?
N5 Ru1 N4 C17 178.3(8) . . . . ?
N1' Ru1 N4 C17 -82.7(14) . . . . ?
N1 Ru1 N4 C17 -84.9(11) . . . . ?
N1" Ru1 N4 C17 -81.1(16) . . . . ?
N3 Ru1 N4 C17 74.6(7) . . . . ?
Cl1 Ru1 N4 C17 170.7(6) . . . . ?
N2 Ru1 N4 C21 176.8(5) . . . . ?
N5 Ru1 N4 C21 -0.7(5) . . . . ?
N1' Ru1 N4 C21 98.3(13) . . . . ?
N1 Ru1 N4 C21 96.1(10) . . . . ?
N1" Ru1 N4 C21 99.9(16) . . . . ?
N3 Ru1 N4 C21 -104.4(6) . . . . ?
Cl1 Ru1 N4 C21 -8.3(11) . . . . ?
N2 Ru1 N5 N6 68(6) . . . . ?
N1' Ru1 N5 N6 84(4) . . . . ?
N1 Ru1 N5 N6 83(2) . . . . ?
N1" Ru1 N5 N6 92(3) . . . . ?
N4 Ru1 N5 N6 174.1(6) . . . . ?
N3 Ru1 N5 N6 -97.2(6) . . . . ?
Cl1 Ru1 N5 N6 -8.0(5) . . . . ?
N2 Ru1 N5 C22 -102(6) . . . . ?
N1' Ru1 N5 C22 -86(4) . . . . ?
N1 Ru1 N5 C22 -87(2) . . . . ?
N1" Ru1 N5 C22 -79(3) . . . . ?
N4 Ru1 N5 C22 3.5(5) . . . . ?
N3 Ru1 N5 C22 92.2(6) . . . . ?
Cl1 Ru1 N5 C22 -178.6(5) . . . . ?
C22 N5 N6 C24 0.0(7) . . . . ?
Ru1 N5 N6 C24 -171.5(5) . . . . ?
C22 N5 N6 Ru2 -178.8(5) . . . . ?
Ru1 N5 N6 Ru2 9.7(9) . . . . ?
N9' Ru2 N6 N5 -115(11) . . . . ?
N10' Ru2 N6 N5 88.2(13) . . . . ?
N8 Ru2 N6 N5 -96.4(9) . . . . ?
N7 Ru2 N6 N5 177.9(6) . . . . ?
N9 Ru2 N6 N5 108(5) . . . . ?
N8' Ru2 N6 N5 -92.8(8) . . . . ?
N10 Ru2 N6 N5 87.8(12) . . . . ?
Cl1 Ru2 N6 N5 -4.0(5) . . . . ?
N9' Ru2 N6 C24 66(11) . . . . ?
N10' Ru2 N6 C24 -90.5(13) . . . . ?
N8 Ru2 N6 C24 84.9(8) . . . . ?
N7 Ru2 N6 C24 -0.8(5) . . . . ?
N9 Ru2 N6 C24 -71(5) . . . . ?
N8' Ru2 N6 C24 88.5(8) . . . . ?
N10 Ru2 N6 C24 -90.9(12) . . . . ?
Cl1 Ru2 N6 C24 177.3(5) . . . . ?
N9' Ru2 N7 C29 2.8(7) . . . . ?
N10' Ru2 N7 C29 -79.5(7) . . . . ?
N6 Ru2 N7 C29 179.6(6) . . . . ?
N8 Ru2 N7 C29 71.4(7) . . . . ?
N9 Ru2 N7 C29 -7.5(7) . . . . ?
N8' Ru2 N7 C29 82.9(7) . . . . ?
N10 Ru2 N7 C29 -82.7(7) . . . . ?
Cl1 Ru2 N7 C29 172.8(5) . . . . ?
N9' Ru2 N7 C25 -174.7(5) . . . . ?
N10' Ru2 N7 C25 103.0(6) . . . . ?
N6 Ru2 N7 C25 2.1(5) . . . . ?
N8 Ru2 N7 C25 -106.1(6) . . . . ?
N9 Ru2 N7 C25 175.0(5) . . . . ?
N8' Ru2 N7 C25 -94.6(6) . . . . ?
N10 Ru2 N7 C25 99.8(6) . . . . ?
Cl1 Ru2 N7 C25 -4.7(10) . . . . ?
N2 Ru1 N1 C1 -165(6) . . . . ?
N5 Ru1 N1 C1 16(6) . . . . ?
N1' Ru1 N1 C1 -129(100) . . . . ?
N1" Ru1 N1 C1 -86(16) . . . . ?
N4 Ru1 N1 C1 -60(6) . . . . ?
N3 Ru1 N1 C1 -163.0(13) . . . . ?
Cl1 Ru1 N1 C1 104(6) . . . . ?
N2 Ru1 N1 C5 7(4) . . . . ?
N5 Ru1 N1 C5 -173(4) . . . . ?
N1' Ru1 N1 C5 42(100) . . . . ?
N1" Ru1 N1 C5 86(14) . . . . ?
N4 Ru1 N1 C5 111(4) . . . . ?
N3 Ru1 N1 C5 8(9) . . . . ?
Cl1 Ru1 N1 C5 -85(4) . . . . ?
C5 N1 C1 C2 5(7) . . . . ?
Ru1 N1 C1 C2 175(4) . . . . ?
N1 C1 C2 C3 -7(4) . . . . ?
C1 C2 C3 C4 3(3) . . . . ?
C2 C3 C4 C5 4(4) . . . . ?
C1 N1 C5 C4 2(7) . . . . ?
Ru1 N1 C5 C4 -170(5) . . . . ?
C1 N1 C5 C6 164(5) . . . . ?
Ru1 N1 C5 C6 -8(5) . . . . ?
C3 C4 C5 N1 -6(6) . . . . ?
C3 C4 C5 C6 -167(3) . . . . ?
N2 Ru1 N1' C1' 169(10) . . . . ?
N5 Ru1 N1' C1' -10(9) . . . . ?
N1 Ru1 N1' C1' 25(100) . . . . ?
N1" Ru1 N1' C1' -99(16) . . . . ?
N4 Ru1 N1' C1' -86(9) . . . . ?
N3 Ru1 N1' C1' 174(2) . . . . ?
Cl1 Ru1 N1' C1' 78(9) . . . . ?
N2 Ru1 N1' C5' 2(8) . . . . ?
N5 Ru1 N1' C5' -177(8) . . . . ?
N1 Ru1 N1' C5' -142(100) . . . . ?
N1" Ru1 N1' C5' 93(16) . . . . ?
N4 Ru1 N1' C5' 106(8) . . . . ?
N3 Ru1 N1' C5' 7(15) . . . . ?
Cl1 Ru1 N1' C5' -89(8) . . . . ?
C5' N1' C1' C2' -10(12) . . . . ?
Ru1 N1' C1' C2' -178(6) . . . . ?
N1' C1' C2' C3' 14(7) . . . . ?
C1' C2' C3' C4' -6(5) . . . . ?
C2' C3' C4' C5' -6(8) . . . . ?
C1' N1' C5' C4' -2(14) . . . . ?
Ru1 N1' C5' C4' 167(9) . . . . ?
C1' N1' C5' C6 -167(9) . . . . ?
Ru1 N1' C5' C6 1(11) . . . . ?
C3' C4' C5' N1' 10(13) . . . . ?
C3' C4' C5' C6 173(7) . . . . ?
N2 Ru1 N1" C1" -173(7) . . . . ?
N5 Ru1 N1" C1" 8(7) . . . . ?
N1' Ru1 N1" C1" 100(16) . . . . ?
N1 Ru1 N1" C1" 88(14) . . . . ?
N4 Ru1 N1" C1" -67(7) . . . . ?
N3 Ru1 N1" C1" -150(4) . . . . ?
Cl1 Ru1 N1" C1" 98(7) . . . . ?
N2 Ru1 N1" C5" 7(5) . . . . ?
N5 Ru1 N1" C5" -172(5) . . . . ?
N1' Ru1 N1" C5" -80(15) . . . . ?
N1 Ru1 N1" C5" -92(16) . . . . ?
N4 Ru1 N1" C5" 113(6) . . . . ?
N3 Ru1 N1" C5" 30(10) . . . . ?
Cl1 Ru1 N1" C5" -83(6) . . . . ?
C5" N1" C1" C2" -5(9) . . . . ?
Ru1 N1" C1" C2" 175(5) . . . . ?
N1" C1" C2" C3" 4(8) . . . . ?
C1" C2" C3" C4" -4(7) . . . . ?
C2" C3" C4" C5" 6(8) . . . . ?
C1" N1" C5" C4" 7(11) . . . . ?
Ru1 N1" C5" C4" -173(8) . . . . ?
C1" N1" C5" C6 179(8) . . . . ?
Ru1 N1" C5" C6 -1(9) . . . . ?
C3" C4" C5" N1" -7(11) . . . . ?
C3" C4" C5" C6 -178(7) . . . . ?
C10 N2 C6 C7 -3.0(11) . . . . ?
Ru1 N2 C6 C7 -175.0(6) . . . . ?
C10 N2 C6 C5' 179(5) . . . . ?
Ru1 N2 C6 C5' 7(5) . . . . ?
C10 N2 C6 C5 173(3) . . . . ?
Ru1 N2 C6 C5 1(3) . . . . ?
C10 N2 C6 C5" -172(5) . . . . ?
Ru1 N2 C6 C5" 16(5) . . . . ?
N1' C5' C6 N2 -5(10) . . . . ?
C4' C5' C6 N2 -170(8) . . . . ?
N1' C5' C6 C7 177(6) . . . . ?
C4' C5' C6 C7 13(14) . . . . ?
N1' C5' C6 C5 66(28) . . . . ?
N1 C5 C6 N2 5(5) . . . . ?
C4 C5 C6 N2 167(4) . . . . ?
N1 C5 C6 C7 -179(3) . . . . ?
C4 C5 C6 C7 -18(7) . . . . ?
N1 C5 C6 C5' -106(34) . . . . ?
C4 C5 C6 C5' 55(28) . . . . ?
N1 C5 C6 C5" -89(14) . . . . ?
C4 C5 C6 C5" 73(13) . . . . ?
N1" C5" C6 N2 -9(8) . . . . ?
C4" C5" C6 N2 163(8) . . . . ?
N1" C5" C6 C7 -178(4) . . . . ?
C4" C5" C6 C7 -6(13) . . . . ?
N1" C5" C6 C5 83(14) . . . . ?
C4" C5" C6 C5 -106(17) . . . . ?
N2 C6 C7 C8 0.3(12) . . . . ?
C5' C6 C7 C8 178(6) . . . . ?
C5 C6 C7 C8 -175(3) . . . . ?
C5" C6 C7 C8 168(6) . . . . ?
C16 O1 C8 C7 174.3(7) . . . . ?
C16 O1 C8 C9 -3.5(11) . . . . ?
C6 C7 C8 O1 -176.3(7) . . . . ?
C6 C7 C8 C9 1.6(12) . . . . ?
O1 C8 C9 C10 177.0(7) . . . . ?
C7 C8 C9 C10 -0.7(12) . . . . ?
C6 N2 C10 C9 3.8(11) . . . . ?
Ru1 N2 C10 C9 175.8(5) . . . . ?
C6 N2 C10 C11 -175.4(6) . . . . ?
Ru1 N2 C10 C11 -3.5(8) . . . . ?
C8 C9 C10 N2 -2.0(11) . . . . ?
C8 C9 C10 C11 177.2(7) . . . . ?
C15 N3 C11 C12 2.0(10) . . . . ?
Ru1 N3 C11 C12 -177.0(5) . . . . ?
C15 N3 C11 C10 -176.5(6) . . . . ?
Ru1 N3 C11 C10 4.4(7) . . . . ?
N2 C10 C11 N3 -0.9(9) . . . . ?
C9 C10 C11 N3 179.9(7) . . . . ?
N2 C10 C11 C12 -179.3(6) . . . . ?
C9 C10 C11 C12 1.4(11) . . . . ?
N3 C11 C12 C13 -1.0(10) . . . . ?
C10 C11 C12 C13 177.4(7) . . . . ?
C11 C12 C13 C14 -0.2(11) . . . . ?
C12 C13 C14 C15 0.4(11) . . . . ?
C11 N3 C15 C14 -1.8(10) . . . . ?
Ru1 N3 C15 C14 177.1(5) . . . . ?
C13 C14 C15 N3 0.6(11) . . . . ?
C21 N4 C17 C18 1.5(14) . . . . ?
Ru1 N4 C17 C18 -177.5(8) . . . . ?
N4 C17 C18 C19 -0.2(16) . . . . ?
C17 C18 C19 C20 -0.6(15) . . . . ?
C18 C19 C20 C21 0.2(14) . . . . ?
C17 N4 C21 C20 -1.9(12) . . . . ?
Ru1 N4 C21 C20 177.2(6) . . . . ?
C17 N4 C21 C22 179.2(7) . . . . ?
Ru1 N4 C21 C22 -1.7(8) . . . . ?
C19 C20 C21 N4 1.1(13) . . . . ?
C19 C20 C21 C22 179.9(8) . . . . ?
N6 N5 C22 C23 -0.3(8) . . . . ?
Ru1 N5 C22 C23 171.9(5) . . . . ?
N6 N5 C22 C21 -177.7(6) . . . . ?
Ru1 N5 C22 C21 -5.4(8) . . . . ?
N4 C21 C22 N5 4.3(9) . . . . ?
C20 C21 C22 N5 -174.6(7) . . . . ?
N4 C21 C22 C23 -171.8(9) . . . . ?
C20 C21 C22 C23 9.3(15) . . . . ?
N5 C22 C23 C24 0.5(8) . . . . ?
C21 C22 C23 C24 176.7(9) . . . . ?
N5 N6 C24 C23 0.3(8) . . . . ?
Ru2 N6 C24 C23 179.3(5) . . . . ?
N5 N6 C24 C25 -179.4(5) . . . . ?
Ru2 N6 C24 C25 -0.5(8) . . . . ?
C22 C23 C24 N6 -0.5(8) . . . . ?
C22 C23 C24 C25 179.1(8) . . . . ?
C29 N7 C25 C26 -2.2(10) . . . . ?
Ru2 N7 C25 C26 175.6(5) . . . . ?
C29 N7 C25 C24 179.4(6) . . . . ?
Ru2 N7 C25 C24 -2.9(7) . . . . ?
N6 C24 C25 N7 2.2(8) . . . . ?
C23 C24 C25 N7 -177.4(8) . . . . ?
N6 C24 C25 C26 -176.2(7) . . . . ?
C23 C24 C25 C26 4.2(14) . . . . ?
N7 C25 C26 C27 1.8(11) . . . . ?
C24 C25 C26 C27 -180.0(7) . . . . ?
C25 C26 C27 C28 -0.5(11) . . . . ?
C26 C27 C28 C29 -0.2(11) . . . . ?
C25 N7 C29 C28 1.4(11) . . . . ?
Ru2 N7 C29 C28 -176.1(6) . . . . ?
C27 C28 C29 N7 -0.3(11) . . . . ?
N9' Ru2 N8 C30 177(2) . . . . ?
N10' Ru2 N8 C30 169(3) . . . . ?
N6 Ru2 N8 C30 -2.1(18) . . . . ?
N7 Ru2 N8 C30 74.2(17) . . . . ?
N9 Ru2 N8 C30 174.8(18) . . . . ?
N8' Ru2 N8 C30 -20(5) . . . . ?
N10 Ru2 N8 C30 168(3) . . . . ?
Cl1 Ru2 N8 C30 -90.4(17) . . . . ?
N9' Ru2 N8 C34 -0.2(14) . . . . ?
N10' Ru2 N8 C34 -8(3) . . . . ?
N6 Ru2 N8 C34 -179.1(13) . . . . ?
N7 Ru2 N8 C34 -102.8(14) . . . . ?
N9 Ru2 N8 C34 -2.1(15) . . . . ?
N8' Ru2 N8 C34 163(7) . . . . ?
N10 Ru2 N8 C34 -9(4) . . . . ?
Cl1 Ru2 N8 C34 92.6(14) . . . . ?
N9' Ru2 N9 C39 169(8) . . . . ?
N10' Ru2 N9 C39 -4.2(18) . . . . ?
N6 Ru2 N9 C39 -24(6) . . . . ?
N8 Ru2 N9 C39 179.0(17) . . . . ?
N7 Ru2 N9 C39 -93.1(15) . . . . ?
N8' Ru2 N9 C39 176.0(17) . . . . ?
N10 Ru2 N9 C39 -4.0(18) . . . . ?
Cl1 Ru2 N9 C39 86.8(15) . . . . ?
N9' Ru2 N9 C35 -7(6) . . . . ?
N10' Ru2 N9 C35 -180(2) . . . . ?
N6 Ru2 N9 C35 160(4) . . . . ?
N8 Ru2 N9 C35 3.3(15) . . . . ?
N7 Ru2 N9 C35 91.2(15) . . . . ?
N8' Ru2 N9 C35 0.3(16) . . . . ?
N10 Ru2 N9 C35 -179.7(18) . . . . ?
Cl1 Ru2 N9 C35 -88.9(15) . . . . ?
N9' Ru2 N10 C44 -175(5) . . . . ?
N6 Ru2 N10 C44 4(5) . . . . ?
N8 Ru2 N10 C44 -167(3) . . . . ?
N7 Ru2 N10 C44 -73(5) . . . . ?
N9 Ru2 N10 C44 -174(5) . . . . ?
N8' Ru2 N10 C44 -174(3) . . . . ?
Cl1 Ru2 N10 C44 92(5) . . . . ?
N9' Ru2 N10 C40 -2(2) . . . . ?
N6 Ru2 N10 C40 177(2) . . . . ?
N8 Ru2 N10 C40 6(4) . . . . ?
N7 Ru2 N10 C40 100(2) . . . . ?
N9 Ru2 N10 C40 0(2) . . . . ?
N8' Ru2 N10 C40 -1(6) . . . . ?
Cl1 Ru2 N10 C40 -95(2) . . . . ?
C34 N8 C30 C31 2(3) . . . . ?
Ru2 N8 C30 C31 -175.1(16) . . . . ?
N8 C30 C31 C32 -3(3) . . . . ?
C30 C31 C32 C33 5(3) . . . . ?
C31 C32 C33 C34 -6(3) . . . . ?
C30 N8 C34 C33 -2(3) . . . . ?
Ru2 N8 C34 C33 174.6(15) . . . . ?
C30 N8 C34 C35 -176.3(17) . . . . ?
Ru2 N8 C34 C35 1(2) . . . . ?
C32 C33 C34 N8 4(3) . . . . ?
C32 C33 C34 C35 177.7(16) . . . . ?
C39 N9 C35 C36 0(3) . . . . ?
Ru2 N9 C35 C36 175.5(14) . . . . ?
C39 N9 C35 C34 -179.2(18) . . . . ?
Ru2 N9 C35 C34 -4(2) . . . . ?
N8 C34 C35 N9 2(2) . . . . ?
C33 C34 C35 N9 -171.6(17) . . . . ?
N8 C34 C35 C36 -177.2(18) . . . . ?
C33 C34 C35 C36 9(3) . . . . ?
N9 C35 C36 C37 0(2) . . . . ?
C34 C35 C36 C37 179.5(16) . . . . ?
C35 C36 C37 C38 -1(2) . . . . ?
C36 C37 C38 C39 1(2) . . . . ?
C35 N9 C39 C38 0(3) . . . . ?
Ru2 N9 C39 C38 -175.3(15) . . . . ?
C35 N9 C39 C40 -177.3(19) . . . . ?
Ru2 N9 C39 C40 7(2) . . . . ?
C37 C38 C39 N9 -1(2) . . . . ?
C37 C38 C39 C40 176.3(18) . . . . ?
C44 N10 C40 C41 -4(5) . . . . ?
Ru2 N10 C40 C41 -178.6(18) . . . . ?
C44 N10 C40 C39 179(4) . . . . ?
Ru2 N10 C40 C39 4(3) . . . . ?
N9 C39 C40 N10 -7(3) . . . . ?
C38 C39 C40 N10 176(2) . . . . ?
N9 C39 C40 C41 175.6(19) . . . . ?
C38 C39 C40 C41 -1(3) . . . . ?
N10 C40 C41 C42 3(3) . . . . ?
C39 C40 C41 C42 179.4(19) . . . . ?
C40 C41 C42 C43 -4(3) . . . . ?
C41 C42 C43 C44 6(3) . . . . ?
C40 N10 C44 C43 9(8) . . . . ?
Ru2 N10 C44 C43 -178(3) . . . . ?
C42 C43 C44 N10 -10(7) . . . . ?
N9' Ru2 N8' C30' 175(2) . . . . ?
N10' Ru2 N8' C30' 173(4) . . . . ?
N6 Ru2 N8' C30' -3.9(19) . . . . ?
N8 Ru2 N8' C30' 159(7) . . . . ?
N7 Ru2 N8' C30' 73.0(18) . . . . ?
N9 Ru2 N8' C30' 173(2) . . . . ?
N10 Ru2 N8' C30' 174(4) . . . . ?
Cl1 Ru2 N8' C30' -91.3(18) . . . . ?
N9' Ru2 N8' C34' -1.4(15) . . . . ?
N10' Ru2 N8' C34' -3(5) . . . . ?
N6 Ru2 N8' C34' 180.0(13) . . . . ?
N8 Ru2 N8' C34' -18(5) . . . . ?
N7 Ru2 N8' C34' -103.0(14) . . . . ?
N9 Ru2 N8' C34' -2.6(15) . . . . ?
N10 Ru2 N8' C34' -2(5) . . . . ?
Cl1 Ru2 N8' C34' 92.7(14) . . . . ?
N10' Ru2 N9' C39' -1.4(18) . . . . ?
N6 Ru2 N9' C39' -158(10) . . . . ?
N8 Ru2 N9' C39' -177.5(19) . . . . ?
N7 Ru2 N9' C39' -92.0(15) . . . . ?
N9 Ru2 N9' C39' -8(6) . . . . ?
N8' Ru2 N9' C39' 179.1(16) . . . . ?
N10 Ru2 N9' C39' -1.1(18) . . . . ?
Cl1 Ru2 N9' C39' 90.7(15) . . . . ?
N10' Ru2 N9' C35' -177.3(19) . . . . ?
N6 Ru2 N9' C35' 26(12) . . . . ?
N8 Ru2 N9' C35' 6.6(15) . . . . ?
N7 Ru2 N9' C35' 92.1(16) . . . . ?
N9 Ru2 N9' C35' 176(8) . . . . ?
N8' Ru2 N9' C35' 3.2(16) . . . . ?
N10 Ru2 N9' C35' -177(2) . . . . ?
Cl1 Ru2 N9' C35' -85.2(16) . . . . ?
N9' Ru2 N10' C40' -1(2) . . . . ?
N6 Ru2 N10' C40' 177.5(19) . . . . ?
N8 Ru2 N10' C40' 6(4) . . . . ?
N7 Ru2 N10' C40' 100(2) . . . . ?
N9 Ru2 N10' C40' 0.1(19) . . . . ?
N8' Ru2 N10' C40' 1(6) . . . . ?
Cl1 Ru2 N10' C40' -95(2) . . . . ?
N9' Ru2 N10' C44' 179(4) . . . . ?
N6 Ru2 N10' C44' -2(4) . . . . ?
N8 Ru2 N10' C44' -173(2) . . . . ?
N7 Ru2 N10' C44' -79(4) . . . . ?
N9 Ru2 N10' C44' -179(4) . . . . ?
N8' Ru2 N10' C44' -179(3) . . . . ?
Cl1 Ru2 N10' C44' 86(4) . . . . ?
C34' N8' C30' C31' -6(3) . . . . ?
Ru2 N8' C30' C31' 178.7(16) . . . . ?
N8' C30' C31' C32' 3(3) . . . . ?
C30' C31' C32' C33' -1(3) . . . . ?
C31' C32' C33' C34' 1(3) . . . . ?
C30' N8' C34' C33' 6(3) . . . . ?
Ru2 N8' C34' C33' -177.5(15) . . . . ?
C30' N8' C34' C35' -177.0(17) . . . . ?
Ru2 N8' C34' C35' 0(2) . . . . ?
C32' C33' C34' N8' -4(3) . . . . ?
C32' C33' C34' C35' 179.4(17) . . . . ?
C39' N9' C35' C36' 3(3) . . . . ?
Ru2 N9' C35' C36' 178.0(14) . . . . ?
C39' N9' C35' C34' -179.9(18) . . . . ?
Ru2 N9' C35' C34' -4(2) . . . . ?
N8' C34' C35' N9' 3(2) . . . . ?
C33' C34' C35' N9' 179.9(18) . . . . ?
N8' C34' C35' C36' -179.7(18) . . . . ?
C33' C34' C35' C36' -3(3) . . . . ?
N9' C35' C36' C37' -3(2) . . . . ?
C34' C35' C36' C37' -179.9(17) . . . . ?
C35' C36' C37' C38' 1(2) . . . . ?
C36' C37' C38' C39' 1(3) . . . . ?
C35' N9' C39' C38' 0(3) . . . . ?
Ru2 N9' C39' C38' -176.0(15) . . . . ?
C35' N9' C39' C40' 179(2) . . . . ?
Ru2 N9' C39' C40' 4(2) . . . . ?
C37' C38' C39' N9' -1(3) . . . . ?
C37' C38' C39' C40' 179.0(19) . . . . ?
C44' N10' C40' C41' 3(5) . . . . ?
Ru2 N10' C40' C41' -176.0(18) . . . . ?
C44' N10' C40' C39' -177(3) . . . . ?
Ru2 N10' C40' C39' 3(3) . . . . ?
N9' C39' C40' N10' -5(3) . . . . ?
C38' C39' C40' N10' 175(2) . . . . ?
N9' C39' C40' C41' 174.7(19) . . . . ?
C38' C39' C40' C41' -6(3) . . . . ?
N10' C40' C41' C42' 0(3) . . . . ?
C39' C40' C41' C42' -179.7(19) . . . . ?
C40' C41' C42' C43' 0(3) . . . . ?
C41' C42' C43' C44' -2(4) . . . . ?
C42' C43' C44' N10' 4(5) . . . . ?
C40' N10' C44' C43' -5(5) . . . . ?
Ru2 N10' C44' C43' 174(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        24.75
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.288
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.155
####################################################################### 
# 
# 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_u30_0m
_database_code_depnum_ccdc_archive 'CCDC 1432988'
_audit_update_record             
;
2015-10-23 deposited with the CCDC.
2016-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50.50 H43.25 Cl2 N13.75 O10 Ru2'
_chemical_formula_weight         1275.78

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   15.1819(15)
_cell_length_b                   26.556(2)
_cell_length_c                   15.5336(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.382(4)
_cell_angle_gamma                90.00
_cell_volume                     5791.0(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9563
_cell_measurement_theta_min      2.71
_cell_measurement_theta_max      34.43

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2578
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_suppport 
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_type              'Bruker-Nonius FR 591'
_diffrn_source_power             50
_diffrn_source_current           70
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            80008
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_av_sigmaI/netI    0.0903
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         36.59
_reflns_number_total             27011
_reflns_number_gt                17043
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_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)+(0.1060P)²+32.6003P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         27011
_refine_ls_number_parameters     848
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.1422
_refine_ls_R_factor_gt           0.0942
_refine_ls_wR_factor_ref         0.2835
_refine_ls_wR_factor_gt          0.2548
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_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
C1 C 0.5576(4) 0.8635(3) 1.4577(5) 0.0463(16) Uani 1 1 d . . .
H1 H 0.5441 0.8865 1.4074 0.056 Uiso 1 1 calc R . .
N1 N 0.6481(3) 0.84849(17) 1.5037(3) 0.0291(8) Uani 1 1 d . . .
Ru1 Ru 0.76783(2) 0.874586(12) 1.48655(3) 0.02106(8) Uani 1 1 d . A .
C1C C 0.7323(6) 0.7477(3) 1.2960(6) 0.0353(15) Uani 0.75 1 d P A 1
H1C1 H 0.6762 0.7363 1.2430 0.053 Uiso 0.75 1 calc PR A 1
H1C2 H 0.7530 0.7210 1.3431 0.053 Uiso 0.75 1 calc PR A 1
H1C3 H 0.7839 0.7554 1.2748 0.053 Uiso 0.75 1 calc PR A 1
O1C O 0.6311(4) 0.8161(2) 1.2889(4) 0.0255(11) Uani 0.75 1 d P A 1
O1C' O 0.6392(17) 0.8040(7) 1.2647(16) 0.034(5) Uani 0.25 1 d P A 2
C1C' C 0.6767(11) 0.7459(5) 1.3867(12) 0.021(3) Uani 0.25 1 d P A 2
H1CA H 0.6500 0.7577 1.4314 0.031 Uiso 0.25 1 calc PR A 2
H1CB H 0.7331 0.7252 1.4190 0.031 Uiso 0.25 1 calc PR A 2
H1CC H 0.6291 0.7257 1.3383 0.031 Uiso 0.25 1 calc PR A 2
C2 C 0.4836(5) 0.8467(4) 1.4810(7) 0.069(3) Uani 1 1 d . . .
H2 H 0.4206 0.8582 1.4473 0.083 Uiso 1 1 calc R . .
N2 N 0.8257(3) 0.82852(14) 1.5911(3) 0.0228(7) Uani 1 1 d . . .
Ru2 Ru 0.63554(3) 0.870374(13) 1.18945(3) 0.02448(9) Uani 1 1 d . . .
C2C C 0.7073(4) 0.79491(18) 1.3381(4) 0.0302(10) Uani 1 1 d . . .
O2C O 0.7727(3) 0.81181(14) 1.4042(3) 0.0356(9) Uani 1 1 d . A .
C3 C 0.5016(4) 0.8128(3) 1.5538(7) 0.062(2) Uani 1 1 d . . .
H3 H 0.4519 0.8014 1.5719 0.075 Uiso 1 1 calc R . .
N3 N 0.9101(3) 0.88434(15) 1.5109(3) 0.0237(7) Uani 1 1 d . . .
C4 C 0.5943(4) 0.7964(2) 1.5989(5) 0.0452(16) Uani 1 1 d . . .
H4 H 0.6085 0.7724 1.6476 0.054 Uiso 1 1 calc R . .
N4 N 0.9387(4) 0.7171(2) 1.7804(5) 0.0504(14) Uani 1 1 d . . .
H4A H 1.0004 0.7110 1.8023 0.061 Uiso 1 1 calc R . .
H4B H 0.9011 0.6988 1.7992 0.061 Uiso 1 1 calc R . .
C5 C 0.6663(3) 0.81464(19) 1.5739(4) 0.0296(10) Uani 1 1 d . . .
N5 N 0.7702(3) 0.93940(15) 1.5576(3) 0.0268(8) Uani 1 1 d . A .
C6 C 0.7677(3) 0.80072(17) 1.6198(4) 0.0269(9) Uani 1 1 d . . .
N6 N 0.7126(3) 0.92628(14) 1.3814(3) 0.0231(7) Uani 1 1 d . . .
C7 C 0.8043(4) 0.76269(19) 1.6854(4) 0.0307(10) Uani 1 1 d . . .
H7 H 0.7637 0.7434 1.7066 0.037 Uiso 1 1 calc R . .
N7 N 0.6840(3) 0.92467(14) 1.2894(3) 0.0253(7) Uani 1 1 d . A .
C8 C 0.9028(4) 0.75354(19) 1.7194(4) 0.0293(9) Uani 1 1 d . . .
N8 N 0.6307(3) 0.93277(16) 1.1113(3) 0.0288(8) Uani 1 1 d . A .
C9 C 0.9603(4) 0.7833(2) 1.6880(4) 0.0293(9) Uani 1 1 d . . .
H9 H 1.0271 0.7778 1.7116 0.035 Uiso 1 1 calc R . .
N9 N 0.4911(3) 0.87648(17) 1.1591(3) 0.0322(9) Uani 1 1 d . A .
C10 C 0.9204(3) 0.82063(17) 1.6229(3) 0.0249(8) Uani 1 1 d . . .
N10 N 0.5871(3) 0.82112(16) 1.0884(3) 0.0305(9) Uani 1 1 d . A .
C11 C 0.9692(3) 0.85378(18) 1.5798(3) 0.0249(8) Uani 1 1 d . . .
N11 N 0.7603(3) 0.84595(16) 1.1828(3) 0.0298(8) Uani 1 1 d . A .
C12 C 1.0666(4) 0.8547(2) 1.6036(4) 0.0333(10) Uani 1 1 d . . .
H12 H 1.1067 0.8332 1.6515 0.040 Uiso 1 1 calc R . .
C13 C 1.1061(4) 0.8870(2) 1.5575(5) 0.0375(12) Uani 1 1 d . . .
H13 H 1.1728 0.8874 1.5723 0.045 Uiso 1 1 calc R . .
C14 C 1.0464(4) 0.9183(2) 1.4900(4) 0.0356(11) Uani 1 1 d . . .
H14 H 1.0716 0.9411 1.4581 0.043 Uiso 1 1 calc R . .
C15 C 0.9493(4) 0.91639(19) 1.4688(4) 0.0278(9) Uani 1 1 d . . .
H15 H 0.9089 0.9386 1.4227 0.033 Uiso 1 1 calc R . .
C16 C 0.7963(4) 0.9427(2) 1.6504(4) 0.0352(11) Uani 1 1 d . . .
H16 H 0.8114 0.9126 1.6861 0.042 Uiso 1 1 calc R . .
C17 C 0.8020(5) 0.9882(2) 1.6963(5) 0.0450(15) Uani 1 1 d . . .
H17 H 0.8205 0.9890 1.7619 0.054 Uiso 1 1 calc R . .
C18 C 0.7802(5) 1.0323(2) 1.6445(5) 0.0433(14) Uani 1 1 d . . .
H18 H 0.7843 1.0639 1.6744 0.052 Uiso 1 1 calc R . .
C19 C 0.7525(4) 1.0298(2) 1.5488(5) 0.0355(11) Uani 1 1 d . A .
H19 H 0.7361 1.0596 1.5123 0.043 Uiso 1 1 calc R . .
C20 C 0.7489(4) 0.98306(17) 1.5066(4) 0.0285(9) Uani 1 1 d . . .
C21 C 0.7200(3) 0.97564(16) 1.4086(4) 0.0268(9) Uani 1 1 d . A .
C22 C 0.6984(4) 1.00678(17) 1.3314(4) 0.0301(10) Uani 1 1 d . . .
H22 H 0.6985 1.0425 1.3297 0.036 Uiso 1 1 calc R A .
C23 C 0.6764(3) 0.97324(17) 1.2571(4) 0.0278(9) Uani 1 1 d . A .
C24 C 0.6499(4) 0.97751(18) 1.1582(4) 0.0299(10) Uani 1 1 d . . .
C25 C 0.6460(5) 1.0232(2) 1.1112(4) 0.0388(12) Uani 1 1 d . A .
H25 H 0.6590 1.0542 1.1444 0.047 Uiso 1 1 calc R . .
C26 C 0.6229(6) 1.0225(2) 1.0164(5) 0.0506(17) Uani 1 1 d . . .
H26 H 0.6207 1.0531 0.9838 0.061 Uiso 1 1 calc R A .
C27 C 0.6027(6) 0.9767(3) 0.9680(5) 0.0490(16) Uani 1 1 d . A .
H27 H 0.5862 0.9756 0.9026 0.059 Uiso 1 1 calc R . .
C28 C 0.6074(5) 0.9332(2) 1.0187(4) 0.0378(12) Uani 1 1 d . . .
H28 H 0.5935 0.9020 0.9864 0.045 Uiso 1 1 calc R A .
C29 C 0.4475(4) 0.9062(2) 1.1985(4) 0.0361(12) Uani 1 1 d . . .
H29 H 0.4852 0.9287 1.2456 0.043 Uiso 1 1 calc R A .
C30 C 0.3485(4) 0.9064(3) 1.1746(5) 0.0464(15) Uani 1 1 d . A .
H30 H 0.3202 0.9275 1.2062 0.056 Uiso 1 1 calc R . .
C31 C 0.2939(5) 0.8750(3) 1.1043(6) 0.056(2) Uani 1 1 d . . .
H31 H 0.2266 0.8741 1.0857 0.068 Uiso 1 1 calc R A .
C32 C 0.3388(5) 0.8447(3) 1.0612(5) 0.0504(18) Uani 1 1 d . A .
H32 H 0.3021 0.8232 1.0116 0.061 Uiso 1 1 calc R . .
C33 C 0.4375(4) 0.8455(2) 1.0902(4) 0.0348(11) Uani 1 1 d . . .
C34 C 0.4911(4) 0.8128(2) 1.0513(4) 0.0340(11) Uani 1 1 d . A .
C35 C 0.4550(5) 0.7747(3) 0.9858(5) 0.0457(15) Uani 1 1 d . . .
H35 H 0.3886 0.7680 0.9595 0.055 Uiso 1 1 calc R A .
C36 C 0.5183(5) 0.7467(3) 0.9595(5) 0.0521(18) Uani 1 1 d . A .
H36 H 0.4946 0.7212 0.9136 0.062 Uiso 1 1 calc R . .
C37 C 0.6174(5) 0.7558(2) 1.0004(4) 0.0421(13) Uani 1 1 d . . .
H37 H 0.6609 0.7362 0.9838 0.051 Uiso 1 1 calc R A .
C38 C 0.6491(4) 0.79399(19) 1.0652(4) 0.0335(11) Uani 1 1 d . A .
C39 C 0.7485(4) 0.80907(19) 1.1178(4) 0.0313(10) Uani 1 1 d . . .
C40 C 0.8257(5) 0.7876(3) 1.1053(5) 0.0468(15) Uani 1 1 d . A .
H40 H 0.8160 0.7617 1.0604 0.056 Uiso 1 1 calc R . .
C41 C 0.9170(5) 0.8036(3) 1.1581(6) 0.057(2) Uani 1 1 d . . .
H41 H 0.9704 0.7898 1.1489 0.069 Uiso 1 1 calc R A .
C42 C 0.9286(5) 0.8407(3) 1.2251(6) 0.0536(19) Uani 1 1 d . A .
H42 H 0.9905 0.8519 1.2637 0.064 Uiso 1 1 calc R . .
C43 C 0.8490(4) 0.8611(3) 1.2347(5) 0.0404(13) Uani 1 1 d . . .
H43 H 0.8574 0.8867 1.2798 0.048 Uiso 1 1 calc R A .
Cl1A Cl 0.71311(9) 0.68253(5) 0.83986(10) 0.0342(3) Uani 1 1 d . . .
O1A O 0.6691(4) 0.65164(18) 0.8882(4) 0.0511(12) Uani 1 1 d . . .
O2A O 0.6407(3) 0.7103(2) 0.7684(5) 0.071(2) Uani 1 1 d . . .
O3A O 0.7769(4) 0.7190(2) 0.9023(4) 0.0577(14) Uani 1 1 d . . .
O4A O 0.7674(4) 0.65262(19) 0.8011(4) 0.0485(11) Uani 1 1 d . . .
Cl1B Cl 0.38389(16) 0.85615(8) 0.74118(17) 0.0432(4) Uani 0.75 1 d P B 1
O1B O 0.4218(6) 0.8059(2) 0.7540(6) 0.062(2) Uani 0.75 1 d P B 1
O2B O 0.3028(7) 0.8617(4) 0.7640(8) 0.069(3) Uani 0.75 1 d P B 1
O3B O 0.3541(7) 0.8699(3) 0.6473(6) 0.069(2) Uani 0.75 1 d P B 1
O4B O 0.4556(6) 0.8907(3) 0.7959(7) 0.075(3) Uani 0.75 1 d P B 1
Cl1' Cl 0.3401(6) 0.8367(3) 0.7501(6) 0.058(2) Uani 0.25 1 d P C 2
O1B' O 0.303(2) 0.7909(13) 0.766(2) 0.092(9) Uani 0.25 1 d PU C 2
O2B' O 0.267(3) 0.8648(16) 0.774(3) 0.097(13) Uani 0.25 1 d PU C 2
O3B' O 0.317(3) 0.8317(19) 0.641(3) 0.126(14) Uani 0.25 1 d PU C 2
O4B' O 0.417(3) 0.8558(14) 0.835(3) 0.100(10) Uani 0.25 1 d PU C 2
C2R C -0.0320(17) 0.4485(10) 0.8608(18) 0.190(10) Uani 1 1 d U . .
H2RA H 0.0339 0.4366 0.8889 0.285 Uiso 0.75 1 calc PR D 1
H2RB H -0.0569 0.4420 0.7936 0.285 Uiso 0.75 1 calc PR D 1
H2RC H -0.0710 0.4307 0.8888 0.285 Uiso 0.75 1 calc PR D 1
H2RD H -0.0760 0.4221 0.8589 0.285 Uiso 0.25 1 d PR D 2
H2RE H -0.0575 0.4682 0.8049 0.285 Uiso 0.25 1 d PR D 2
H2RF H 0.0276 0.4340 0.8656 0.285 Uiso 0.25 1 d PR D 2
C1R C -0.0344(10) 0.4926(6) 0.8742(13) 0.081(4) Uani 0.75 1 d P E 1
N1R N -0.0435(13) 0.5330(8) 0.8784(14) 0.132(6) Uani 0.75 1 d P E 1
C1R' C -0.017(3) 0.4767(18) 0.960(4) 0.081(12) Uani 0.25 1 d PU . 2
N1R' N 0.0000 0.5000 1.0000 0.107(11) Uani 0.50 2 d SPU . 2
N1T N 0.6239(9) 0.7038(6) 1.4365(10) 0.099(5) Uani 0.75 1 d P F 1
C1T C 0.5506(9) 0.6978(5) 1.4377(10) 0.074(4) Uani 0.75 1 d P F 1
C2T C 0.4527(12) 0.6860(7) 1.4324(13) 0.099(5) Uani 0.75 1 d PU F 1
H2T1 H 0.4268 0.6576 1.3900 0.149 Uiso 0.75 1 calc PR F 1
H2T2 H 0.4117 0.7155 1.4092 0.149 Uiso 0.75 1 calc PR F 1
H2T3 H 0.4550 0.6772 1.4946 0.149 Uiso 0.75 1 calc PR F 1
N1S N 0.4348(11) 0.4984(7) 0.7872(12) 0.065(4) Uani 0.50 1 d P . .
C1S C 0.4164(13) 0.4669(8) 0.7474(13) 0.061(4) Uani 0.50 1 d P . .
C2S C 0.3965(18) 0.4261(9) 0.6917(16) 0.085(6) Uani 0.50 1 d PU . .
H2S1 H 0.3677 0.4367 0.6265 0.128 Uiso 0.50 1 calc PR . .
H2S2 H 0.3519 0.4043 0.7063 0.128 Uiso 0.50 1 calc PR . .
H2S3 H 0.4554 0.4075 0.7020 0.128 Uiso 0.50 1 calc PR . .
N1O N 0.282(2) 0.6034(13) 1.341(2) 0.079(9) Uani 0.25 1 d PDU . .
C1O C 0.2182(15) 0.6302(8) 1.3369(15) 0.036(4) Uani 0.25 1 d PDU . .
C2O C 0.1508(15) 0.6682(7) 1.3357(17) 0.039(5) Uani 0.25 1 d PDU . .
H2O1 H 0.1368 0.6654 1.3921 0.058 Uiso 0.25 1 calc PR . .
H2O2 H 0.0920 0.6636 1.2808 0.058 Uiso 0.25 1 calc PR . .
H2O3 H 0.1776 0.7015 1.3335 0.058 Uiso 0.25 1 calc PR . .
N1U N 0.378(3) 0.4685(11) 0.458(2) 0.084(10) Uani 0.25 1 d PDU . .
C1U C 0.366(3) 0.5088(13) 0.488(3) 0.084(12) Uani 0.25 1 d PDU . .
C2U C 0.383(2) 0.5500(11) 0.554(2) 0.053(7) Uani 0.25 1 d PDU . .
H2U1 H 0.3688 0.5387 0.6073 0.079 Uiso 0.25 1 calc PR . .
H2U2 H 0.3414 0.5784 0.5237 0.079 Uiso 0.25 1 calc PR . .
H2U3 H 0.4496 0.5606 0.5752 0.079 Uiso 0.25 1 calc PR . .


_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 N1 1.346(7) . ?
C1 C2 1.378(9) . ?
N1 C5 1.359(7) . ?
N1 Ru1 2.055(4) . ?
Ru1 N2 1.955(4) . ?
Ru1 N5 2.037(4) . ?
Ru1 N6 2.052(4) . ?
Ru1 N3 2.062(4) . ?
Ru1 O2C 2.120(4) . ?
C1C C2C 1.529(9) . ?
O1C C2C 1.251(7) . ?
O1C Ru2 2.133(6) . ?
O1C' C2C 1.24(2) . ?
O1C' Ru2 2.10(2) . ?
C1C' C2C 1.657(16) . ?
C2 C3 1.387(11) . ?
N2 C10 1.346(6) . ?
N2 C6 1.350(6) . ?
Ru2 N10 1.958(5) . ?
Ru2 N8 2.039(4) . ?
Ru2 N7 2.040(4) . ?
Ru2 N11 2.042(5) . ?
Ru2 N9 2.066(5) . ?
C2C O2C 1.210(6) . ?
C3 C4 1.382(9) . ?
N3 C15 1.344(6) . ?
N3 C11 1.370(6) . ?
C4 C5 1.380(7) . ?
N4 C8 1.319(8) . ?
C5 C6 1.476(7) . ?
N5 C16 1.345(7) . ?
N5 C20 1.371(7) . ?
C6 C7 1.391(7) . ?
N6 N7 1.327(6) . ?
N6 C21 1.369(6) . ?
C7 C8 1.405(7) . ?
N7 C23 1.373(6) . ?
C8 C9 1.396(7) . ?
N8 C28 1.343(7) . ?
N8 C24 1.366(7) . ?
C9 C10 1.381(7) . ?
N9 C29 1.321(8) . ?
N9 C33 1.348(7) . ?
C10 C11 1.467(7) . ?
N10 C38 1.339(8) . ?
N10 C34 1.365(7) . ?
C11 C12 1.381(7) . ?
N11 C43 1.340(7) . ?
N11 C39 1.369(7) . ?
C12 C13 1.392(8) . ?
C13 C14 1.374(9) . ?
C14 C15 1.383(7) . ?
C16 C17 1.387(8) . ?
C17 C18 1.389(10) . ?
C18 C19 1.383(9) . ?
C19 C20 1.396(7) . ?
C20 C21 1.428(8) . ?
C21 C22 1.389(7) . ?
C22 C23 1.394(8) . ?
C23 C24 1.436(8) . ?
C24 C25 1.406(7) . ?
C25 C26 1.379(9) . ?
C26 C27 1.401(10) . ?
C27 C28 1.386(8) . ?
C29 C30 1.404(8) . ?
C30 C31 1.373(12) . ?
C31 C32 1.380(12) . ?
C32 C33 1.391(8) . ?
C33 C34 1.469(9) . ?
C34 C35 1.390(9) . ?
C35 C36 1.394(11) . ?
C36 C37 1.413(10) . ?
C37 C38 1.381(8) . ?
C38 C39 1.472(8) . ?
C39 C40 1.383(8) . ?
C40 C41 1.381(10) . ?
C41 C42 1.395(10) . ?
C42 C43 1.384(9) . ?
Cl1A O4A 1.432(5) . ?
Cl1A O2A 1.433(5) . ?
Cl1A O1A 1.437(5) . ?
Cl1A O3A 1.450(5) . ?
Cl1B O3B 1.400(9) . ?
Cl1B O2B 1.413(9) . ?
Cl1B O4B 1.431(8) . ?
Cl1B O1B 1.438(6) . ?
Cl1' O1B' 1.40(3) . ?
Cl1' O4B' 1.48(4) . ?
Cl1' O2B' 1.50(4) . ?
Cl1' O3B' 1.60(5) . ?
C2R C1R 1.19(3) . ?
C2R C1R' 1.65(6) . ?
C1R N1R 1.09(2) . ?
C1R' N1R' 0.84(5) . ?
C1R' C1R' 1.69(10) 3_567 ?
N1R' C1R' 0.84(5) 3_567 ?
N1T C1T 1.131(17) . ?
C1T C2T 1.49(2) . ?
N1S C1S 1.01(2) . ?
C1S C2S 1.35(3) . ?
N1O C1O 1.187(9) . ?
C1O C2O 1.431(9) . ?
N1U C1U 1.204(10) . ?
C1U C2U 1.456(10) . ?

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 C1 C2 122.3(6) . . ?
C1 N1 C5 118.4(5) . . ?
C1 N1 Ru1 127.4(4) . . ?
C5 N1 Ru1 114.1(3) . . ?
N2 Ru1 N5 99.74(17) . . ?
N2 Ru1 N6 176.51(16) . . ?
N5 Ru1 N6 77.48(17) . . ?
N2 Ru1 N1 79.72(16) . . ?
N5 Ru1 N1 92.83(18) . . ?
N6 Ru1 N1 102.42(16) . . ?
N2 Ru1 N3 79.50(16) . . ?
N5 Ru1 N3 89.59(16) . . ?
N6 Ru1 N3 98.28(16) . . ?
N1 Ru1 N3 159.19(17) . . ?
N2 Ru1 O2C 84.35(17) . . ?
N5 Ru1 O2C 173.57(18) . . ?
N6 Ru1 O2C 98.24(17) . . ?
N1 Ru1 O2C 92.79(18) . . ?
N3 Ru1 O2C 86.26(15) . . ?
C2C O1C Ru2 118.0(4) . . ?
C2C O1C' Ru2 120.8(14) . . ?
C1 C2 C3 119.8(6) . . ?
C10 N2 C6 122.3(4) . . ?
C10 N2 Ru1 118.8(3) . . ?
C6 N2 Ru1 118.3(3) . . ?
N10 Ru2 N8 98.52(18) . . ?
N10 Ru2 N7 176.91(16) . . ?
N8 Ru2 N7 78.44(17) . . ?
N10 Ru2 N11 79.63(19) . . ?
N8 Ru2 N11 92.97(18) . . ?
N7 Ru2 N11 100.97(17) . . ?
N10 Ru2 N9 80.1(2) . . ?
N8 Ru2 N9 90.35(17) . . ?
N7 Ru2 N9 99.32(18) . . ?
N11 Ru2 N9 159.70(19) . . ?
N10 Ru2 O1C' 78.9(5) . . ?
N8 Ru2 O1C' 177.4(5) . . ?
N7 Ru2 O1C' 104.1(5) . . ?
N11 Ru2 O1C' 86.2(6) . . ?
N9 Ru2 O1C' 89.6(7) . . ?
N10 Ru2 O1C 91.3(2) . . ?
N8 Ru2 O1C 167.6(2) . . ?
N7 Ru2 O1C 91.6(2) . . ?
N11 Ru2 O1C 96.2(2) . . ?
N9 Ru2 O1C 83.95(19) . . ?
O1C' Ru2 O1C 14.7(5) . . ?
O2C C2C O1C' 146.9(10) . . ?
O2C C2C O1C 128.4(5) . . ?
O1C' C2C O1C 25.2(8) . . ?
O2C C2C C1C 114.2(5) . . ?
O1C' C2C C1C 91.2(9) . . ?
O1C C2C C1C 115.5(6) . . ?
O2C C2C C1C' 100.8(6) . . ?
O1C' C2C C1C' 107.0(13) . . ?
O1C C2C C1C' 106.1(7) . . ?
C1C C2C C1C' 73.1(8) . . ?
C2C O2C Ru1 126.7(3) . . ?
C4 C3 C2 117.6(6) . . ?
C15 N3 C11 118.4(4) . . ?
C15 N3 Ru1 128.2(3) . . ?
C11 N3 Ru1 113.4(3) . . ?
C5 C4 C3 120.6(6) . . ?
N1 C5 C4 121.2(5) . . ?
N1 C5 C6 114.1(4) . . ?
C4 C5 C6 124.6(5) . . ?
C16 N5 C20 118.1(4) . . ?
C16 N5 Ru1 125.0(4) . . ?
C20 N5 Ru1 116.8(3) . . ?
N2 C6 C7 120.7(4) . . ?
N2 C6 C5 113.3(4) . . ?
C7 C6 C5 126.0(5) . . ?
N7 N6 C21 108.5(4) . . ?
N7 N6 Ru1 134.6(3) . . ?
C21 N6 Ru1 115.8(3) . . ?
C6 C7 C8 118.2(5) . . ?
N6 N7 C23 108.1(4) . . ?
N6 N7 Ru2 135.9(3) . . ?
C23 N7 Ru2 115.5(3) . . ?
N4 C8 C9 121.6(5) . . ?
N4 C8 C7 119.2(5) . . ?
C9 C8 C7 119.2(4) . . ?
C28 N8 C24 118.7(4) . . ?
C28 N8 Ru2 125.4(4) . . ?
C24 N8 Ru2 115.9(3) . . ?
C10 C9 C8 120.3(5) . . ?
C29 N9 C33 118.3(5) . . ?
C29 N9 Ru2 128.1(4) . . ?
C33 N9 Ru2 113.6(4) . . ?
N2 C10 C9 119.3(4) . . ?
N2 C10 C11 113.2(4) . . ?
C9 C10 C11 127.5(4) . . ?
C38 N10 C34 123.1(5) . . ?
C38 N10 Ru2 119.2(4) . . ?
C34 N10 Ru2 117.4(4) . . ?
N3 C11 C12 121.0(5) . . ?
N3 C11 C10 114.7(4) . . ?
C12 C11 C10 124.3(5) . . ?
C43 N11 C39 118.6(5) . . ?
C43 N11 Ru2 127.8(4) . . ?
C39 N11 Ru2 113.6(3) . . ?
C11 C12 C13 120.0(5) . . ?
C14 C13 C12 118.6(5) . . ?
C13 C14 C15 119.5(5) . . ?
N3 C15 C14 122.5(5) . . ?
N5 C16 C17 122.9(6) . . ?
C16 C17 C18 118.8(6) . . ?
C19 C18 C17 119.3(5) . . ?
C18 C19 C20 119.2(5) . . ?
N5 C20 C19 121.5(5) . . ?
N5 C20 C21 114.1(4) . . ?
C19 C20 C21 124.4(5) . . ?
N6 C21 C22 109.8(5) . . ?
N6 C21 C20 114.6(4) . . ?
C22 C21 C20 135.5(4) . . ?
C21 C22 C23 103.8(4) . . ?
N7 C23 C22 109.7(4) . . ?
N7 C23 C24 114.5(4) . . ?
C22 C23 C24 135.7(4) . . ?
N8 C24 C25 121.0(5) . . ?
N8 C24 C23 114.7(4) . . ?
C25 C24 C23 124.2(5) . . ?
C26 C25 C24 119.1(6) . . ?
C25 C26 C27 120.0(5) . . ?
C28 C27 C26 117.8(6) . . ?
N8 C28 C27 123.4(6) . . ?
N9 C29 C30 123.7(6) . . ?
C31 C30 C29 118.0(7) . . ?
C30 C31 C32 118.6(6) . . ?
C31 C32 C33 120.3(7) . . ?
N9 C33 C32 121.1(7) . . ?
N9 C33 C34 115.2(5) . . ?
C32 C33 C34 123.7(6) . . ?
N10 C34 C35 119.1(6) . . ?
N10 C34 C33 113.6(5) . . ?
C35 C34 C33 127.3(5) . . ?
C34 C35 C36 118.6(6) . . ?
C35 C36 C37 120.8(6) . . ?
C38 C37 C36 117.9(7) . . ?
N10 C38 C37 120.4(5) . . ?
N10 C38 C39 112.4(5) . . ?
C37 C38 C39 127.1(6) . . ?
N11 C39 C40 121.3(5) . . ?
N11 C39 C38 115.0(5) . . ?
C40 C39 C38 123.7(5) . . ?
C41 C40 C39 120.1(6) . . ?
C40 C41 C42 118.3(6) . . ?
C43 C42 C41 119.3(6) . . ?
N11 C43 C42 122.4(6) . . ?
O4A Cl1A O2A 110.7(4) . . ?
O4A Cl1A O1A 111.1(3) . . ?
O2A Cl1A O1A 109.0(3) . . ?
O4A Cl1A O3A 107.9(3) . . ?
O2A Cl1A O3A 107.2(4) . . ?
O1A Cl1A O3A 110.9(4) . . ?
O3B Cl1B O2B 105.4(7) . . ?
O3B Cl1B O4B 108.8(6) . . ?
O2B Cl1B O4B 108.9(5) . . ?
O3B Cl1B O1B 109.9(5) . . ?
O2B Cl1B O1B 113.8(6) . . ?
O4B Cl1B O1B 109.9(5) . . ?
O1B' Cl1' O4B' 112(2) . . ?
O1B' Cl1' O2B' 90(2) . . ?
O4B' Cl1' O2B' 91(2) . . ?
O1B' Cl1' O3B' 100(2) . . ?
O4B' Cl1' O3B' 139(2) . . ?
O2B' Cl1' O3B' 115(2) . . ?
C1R C2R C1R' 53(2) . . ?
N1R C1R C2R 173(3) . . ?
N1R' C1R' C2R 156(5) . . ?
N1R' C1R' C1R' 0.002(18) . 3_567 ?
C2R C1R' C1R' 156(5) . 3_567 ?
C1R' N1R' C1R' 180.00(5) . 3_567 ?
N1T C1T C2T 175(2) . . ?
N1S C1S C2S 176(2) . . ?
N1O C1O C2O 172(3) . . ?
N1U C1U C2U 158(4) . . ?

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
C2 C1 N1 C5 1.7(12) . . . . ?
C2 C1 N1 Ru1 -173.8(7) . . . . ?
C1 N1 Ru1 N2 175.7(6) . . . . ?
C5 N1 Ru1 N2 0.1(4) . . . . ?
C1 N1 Ru1 N5 76.3(6) . . . . ?
C5 N1 Ru1 N5 -99.3(4) . . . . ?
C1 N1 Ru1 N6 -1.5(6) . . . . ?
C5 N1 Ru1 N6 -177.1(4) . . . . ?
C1 N1 Ru1 N3 172.6(6) . . . . ?
C5 N1 Ru1 N3 -3.0(8) . . . . ?
C1 N1 Ru1 O2C -100.6(6) . . . . ?
C5 N1 Ru1 O2C 83.8(4) . . . . ?
N1 C1 C2 C3 -0.4(15) . . . . ?
N5 Ru1 N2 C10 -93.6(4) . . . . ?
N6 Ru1 N2 C10 -57(3) . . . . ?
N1 Ru1 N2 C10 175.2(4) . . . . ?
N3 Ru1 N2 C10 -5.9(3) . . . . ?
O2C Ru1 N2 C10 81.3(4) . . . . ?
N5 Ru1 N2 C6 95.4(4) . . . . ?
N6 Ru1 N2 C6 132(3) . . . . ?
N1 Ru1 N2 C6 4.3(4) . . . . ?
N3 Ru1 N2 C6 -176.8(4) . . . . ?
O2C Ru1 N2 C6 -89.6(4) . . . . ?
C2C O1C' Ru2 N10 138.8(16) . . . . ?
C2C O1C' Ru2 N8 129(14) . . . . ?
C2C O1C' Ru2 N7 -41.8(16) . . . . ?
C2C O1C' Ru2 N11 58.6(14) . . . . ?
C2C O1C' Ru2 N9 -141.3(15) . . . . ?
C2C O1C' Ru2 O1C -74(2) . . . . ?
C2C O1C Ru2 N10 100.2(5) . . . . ?
C2C O1C Ru2 N8 -116.9(9) . . . . ?
C2C O1C Ru2 N7 -80.7(5) . . . . ?
C2C O1C Ru2 N11 20.5(6) . . . . ?
C2C O1C Ru2 N9 -179.9(6) . . . . ?
C2C O1C Ru2 O1C' 68(3) . . . . ?
Ru2 O1C' C2C O2C 24(3) . . . . ?
Ru2 O1C' C2C O1C 78(2) . . . . ?
Ru2 O1C' C2C C1C -117.5(12) . . . . ?
Ru2 O1C' C2C C1C' 169.9(12) . . . . ?
Ru2 O1C C2C O2C 75.7(8) . . . . ?
Ru2 O1C C2C O1C' -70(3) . . . . ?
Ru2 O1C C2C C1C -87.1(6) . . . . ?
Ru2 O1C C2C C1C' -165.7(7) . . . . ?
O1C' C2C O2C Ru1 46(2) . . . . ?
O1C C2C O2C Ru1 19.7(10) . . . . ?
C1C C2C O2C Ru1 -177.2(4) . . . . ?
C1C' C2C O2C Ru1 -101.1(8) . . . . ?
N2 Ru1 O2C C2C 128.4(5) . . . . ?
N5 Ru1 O2C C2C -101.9(14) . . . . ?
N6 Ru1 O2C C2C -54.0(5) . . . . ?
N1 Ru1 O2C C2C 49.0(5) . . . . ?
N3 Ru1 O2C C2C -151.8(5) . . . . ?
C1 C2 C3 C4 -1.5(16) . . . . ?
N2 Ru1 N3 C15 -176.2(4) . . . . ?
N5 Ru1 N3 C15 -76.2(4) . . . . ?
N6 Ru1 N3 C15 1.0(4) . . . . ?
N1 Ru1 N3 C15 -173.1(5) . . . . ?
O2C Ru1 N3 C15 98.8(4) . . . . ?
N2 Ru1 N3 C11 3.2(3) . . . . ?
N5 Ru1 N3 C11 103.2(3) . . . . ?
N6 Ru1 N3 C11 -179.5(3) . . . . ?
N1 Ru1 N3 C11 6.3(7) . . . . ?
O2C Ru1 N3 C11 -81.7(3) . . . . ?
C2 C3 C4 C5 2.2(14) . . . . ?
C1 N1 C5 C4 -0.9(9) . . . . ?
Ru1 N1 C5 C4 175.1(5) . . . . ?
C1 N1 C5 C6 -179.9(6) . . . . ?
Ru1 N1 C5 C6 -3.9(6) . . . . ?
C3 C4 C5 N1 -1.0(11) . . . . ?
C3 C4 C5 C6 177.9(7) . . . . ?
N2 Ru1 N5 C16 -6.5(4) . . . . ?
N6 Ru1 N5 C16 175.7(4) . . . . ?
N1 Ru1 N5 C16 73.6(4) . . . . ?
N3 Ru1 N5 C16 -85.8(4) . . . . ?
O2C Ru1 N5 C16 -135.6(13) . . . . ?
N2 Ru1 N5 C20 169.5(3) . . . . ?
N6 Ru1 N5 C20 -8.3(3) . . . . ?
N1 Ru1 N5 C20 -110.4(4) . . . . ?
N3 Ru1 N5 C20 90.3(4) . . . . ?
O2C Ru1 N5 C20 40.4(16) . . . . ?
C10 N2 C6 C7 0.9(8) . . . . ?
Ru1 N2 C6 C7 171.5(4) . . . . ?
C10 N2 C6 C5 -178.1(5) . . . . ?
Ru1 N2 C6 C5 -7.5(6) . . . . ?
N1 C5 C6 N2 7.3(7) . . . . ?
C4 C5 C6 N2 -171.6(6) . . . . ?
N1 C5 C6 C7 -171.6(5) . . . . ?
C4 C5 C6 C7 9.4(10) . . . . ?
N2 Ru1 N6 N7 140(3) . . . . ?
N5 Ru1 N6 N7 177.0(4) . . . . ?
N1 Ru1 N6 N7 -92.8(4) . . . . ?
N3 Ru1 N6 N7 89.3(4) . . . . ?
O2C Ru1 N6 N7 1.9(4) . . . . ?
N2 Ru1 N6 C21 -27(3) . . . . ?
N5 Ru1 N6 C21 10.5(3) . . . . ?
N1 Ru1 N6 C21 100.6(3) . . . . ?
N3 Ru1 N6 C21 -77.2(3) . . . . ?
O2C Ru1 N6 C21 -164.6(3) . . . . ?
N2 C6 C7 C8 -1.1(8) . . . . ?
C5 C6 C7 C8 177.8(5) . . . . ?
C21 N6 N7 C23 2.3(5) . . . . ?
Ru1 N6 N7 C23 -164.9(3) . . . . ?
C21 N6 N7 Ru2 -168.6(4) . . . . ?
Ru1 N6 N7 Ru2 24.2(7) . . . . ?
N10 Ru2 N7 N6 169(3) . . . . ?
N8 Ru2 N7 N6 179.3(5) . . . . ?
N11 Ru2 N7 N6 -89.9(5) . . . . ?
N9 Ru2 N7 N6 90.9(5) . . . . ?
O1C' Ru2 N7 N6 -1.1(8) . . . . ?
O1C Ru2 N7 N6 6.8(5) . . . . ?
N10 Ru2 N7 C23 -1(4) . . . . ?
N8 Ru2 N7 C23 8.8(3) . . . . ?
N11 Ru2 N7 C23 99.6(4) . . . . ?
N9 Ru2 N7 C23 -79.6(4) . . . . ?
O1C' Ru2 N7 C23 -171.6(7) . . . . ?
O1C Ru2 N7 C23 -163.7(4) . . . . ?
C6 C7 C8 N4 -178.8(6) . . . . ?
C6 C7 C8 C9 1.3(8) . . . . ?
N10 Ru2 N8 C28 -4.9(5) . . . . ?
N7 Ru2 N8 C28 175.6(5) . . . . ?
N11 Ru2 N8 C28 75.0(5) . . . . ?
N9 Ru2 N8 C28 -84.9(5) . . . . ?
O1C' Ru2 N8 C28 4(15) . . . . ?
O1C Ru2 N8 C28 -147.3(9) . . . . ?
N10 Ru2 N8 C24 172.8(4) . . . . ?
N7 Ru2 N8 C24 -6.7(4) . . . . ?
N11 Ru2 N8 C24 -107.3(4) . . . . ?
N9 Ru2 N8 C24 92.7(4) . . . . ?
O1C' Ru2 N8 C24 -178(100) . . . . ?
O1C Ru2 N8 C24 30.4(11) . . . . ?
N4 C8 C9 C10 178.8(6) . . . . ?
C7 C8 C9 C10 -1.3(8) . . . . ?
N10 Ru2 N9 C29 -179.5(5) . . . . ?
N8 Ru2 N9 C29 -80.9(4) . . . . ?
N7 Ru2 N9 C29 -2.6(5) . . . . ?
N11 Ru2 N9 C29 179.5(5) . . . . ?
O1C' Ru2 N9 C29 101.7(6) . . . . ?
O1C Ru2 N9 C29 88.1(5) . . . . ?
N10 Ru2 N9 C33 0.6(3) . . . . ?
N8 Ru2 N9 C33 99.2(4) . . . . ?
N7 Ru2 N9 C33 177.5(3) . . . . ?
N11 Ru2 N9 C33 -0.4(7) . . . . ?
O1C' Ru2 N9 C33 -78.2(6) . . . . ?
O1C Ru2 N9 C33 -91.8(4) . . . . ?
C6 N2 C10 C9 -0.8(7) . . . . ?
Ru1 N2 C10 C9 -171.4(4) . . . . ?
C6 N2 C10 C11 177.8(4) . . . . ?
Ru1 N2 C10 C11 7.2(5) . . . . ?
C8 C9 C10 N2 1.0(8) . . . . ?
C8 C9 C10 C11 -177.3(5) . . . . ?
N8 Ru2 N10 C38 94.9(4) . . . . ?
N7 Ru2 N10 C38 105(3) . . . . ?
N11 Ru2 N10 C38 3.4(4) . . . . ?
N9 Ru2 N10 C38 -176.2(4) . . . . ?
O1C' Ru2 N10 C38 -84.6(8) . . . . ?
O1C Ru2 N10 C38 -92.6(4) . . . . ?
N8 Ru2 N10 C34 -91.3(4) . . . . ?
N7 Ru2 N10 C34 -81(3) . . . . ?
N11 Ru2 N10 C34 177.2(4) . . . . ?
N9 Ru2 N10 C34 -2.5(4) . . . . ?
O1C' Ru2 N10 C34 89.1(7) . . . . ?
O1C Ru2 N10 C34 81.2(4) . . . . ?
C15 N3 C11 C12 -1.9(7) . . . . ?
Ru1 N3 C11 C12 178.6(4) . . . . ?
C15 N3 C11 C10 179.1(4) . . . . ?
Ru1 N3 C11 C10 -0.4(5) . . . . ?
N2 C10 C11 N3 -4.2(6) . . . . ?
C9 C10 C11 N3 174.3(5) . . . . ?
N2 C10 C11 C12 176.8(5) . . . . ?
C9 C10 C11 C12 -4.7(9) . . . . ?
N10 Ru2 N11 C43 179.6(6) . . . . ?
N8 Ru2 N11 C43 81.5(5) . . . . ?
N7 Ru2 N11 C43 2.7(6) . . . . ?
N9 Ru2 N11 C43 -179.5(5) . . . . ?
O1C' Ru2 N11 C43 -101.0(7) . . . . ?
O1C Ru2 N11 C43 -90.2(6) . . . . ?
N10 Ru2 N11 C39 -1.7(4) . . . . ?
N8 Ru2 N11 C39 -99.8(4) . . . . ?
N7 Ru2 N11 C39 -178.6(4) . . . . ?
N9 Ru2 N11 C39 -0.8(7) . . . . ?
O1C' Ru2 N11 C39 77.7(6) . . . . ?
O1C Ru2 N11 C39 88.5(4) . . . . ?
N3 C11 C12 C13 0.0(8) . . . . ?
C10 C11 C12 C13 179.0(5) . . . . ?
C11 C12 C13 C14 1.4(9) . . . . ?
C12 C13 C14 C15 -1.0(9) . . . . ?
C11 N3 C15 C14 2.4(8) . . . . ?
Ru1 N3 C15 C14 -178.2(4) . . . . ?
C13 C14 C15 N3 -0.9(9) . . . . ?
C20 N5 C16 C17 0.3(8) . . . . ?
Ru1 N5 C16 C17 176.2(5) . . . . ?
N5 C16 C17 C18 -0.2(10) . . . . ?
C16 C17 C18 C19 0.7(10) . . . . ?
C17 C18 C19 C20 -1.3(9) . . . . ?
C16 N5 C20 C19 -0.8(7) . . . . ?
Ru1 N5 C20 C19 -177.1(4) . . . . ?
C16 N5 C20 C21 -178.7(4) . . . . ?
Ru1 N5 C20 C21 5.0(5) . . . . ?
C18 C19 C20 N5 1.4(8) . . . . ?
C18 C19 C20 C21 179.0(5) . . . . ?
N7 N6 C21 C22 -2.0(5) . . . . ?
Ru1 N6 C21 C22 167.9(3) . . . . ?
N7 N6 C21 C20 179.0(4) . . . . ?
Ru1 N6 C21 C20 -11.1(5) . . . . ?
N5 C20 C21 N6 4.0(6) . . . . ?
C19 C20 C21 N6 -173.8(5) . . . . ?
N5 C20 C21 C22 -174.6(5) . . . . ?
C19 C20 C21 C22 7.6(9) . . . . ?
N6 C21 C22 C23 0.9(5) . . . . ?
C20 C21 C22 C23 179.5(6) . . . . ?
N6 N7 C23 C22 -1.8(5) . . . . ?
Ru2 N7 C23 C22 171.2(3) . . . . ?
N6 N7 C23 C24 177.4(4) . . . . ?
Ru2 N7 C23 C24 -9.6(6) . . . . ?
C21 C22 C23 N7 0.6(6) . . . . ?
C21 C22 C23 C24 -178.4(6) . . . . ?
C28 N8 C24 C25 -0.3(8) . . . . ?
Ru2 N8 C24 C25 -178.1(4) . . . . ?
C28 N8 C24 C23 -178.5(5) . . . . ?
Ru2 N8 C24 C23 3.6(6) . . . . ?
N7 C23 C24 N8 3.9(7) . . . . ?
C22 C23 C24 N8 -177.2(6) . . . . ?
N7 C23 C24 C25 -174.3(5) . . . . ?
C22 C23 C24 C25 4.6(10) . . . . ?
N8 C24 C25 C26 -0.4(9) . . . . ?
C23 C24 C25 C26 177.7(6) . . . . ?
C24 C25 C26 C27 0.7(11) . . . . ?
C25 C26 C27 C28 -0.4(12) . . . . ?
C24 N8 C28 C27 0.6(9) . . . . ?
Ru2 N8 C28 C27 178.3(5) . . . . ?
C26 C27 C28 N8 -0.3(11) . . . . ?
C33 N9 C29 C30 2.0(8) . . . . ?
Ru2 N9 C29 C30 -177.9(4) . . . . ?
N9 C29 C30 C31 -2.2(9) . . . . ?
C29 C30 C31 C32 0.4(10) . . . . ?
C30 C31 C32 C33 1.3(10) . . . . ?
C29 N9 C33 C32 -0.1(8) . . . . ?
Ru2 N9 C33 C32 179.8(4) . . . . ?
C29 N9 C33 C34 -178.7(4) . . . . ?
Ru2 N9 C33 C34 1.2(6) . . . . ?
C31 C32 C33 N9 -1.5(9) . . . . ?
C31 C32 C33 C34 176.9(6) . . . . ?
C38 N10 C34 C35 -0.3(8) . . . . ?
Ru2 N10 C34 C35 -173.8(4) . . . . ?
C38 N10 C34 C33 177.3(5) . . . . ?
Ru2 N10 C34 C33 3.8(6) . . . . ?
N9 C33 C34 N10 -3.2(7) . . . . ?
C32 C33 C34 N10 178.3(5) . . . . ?
N9 C33 C34 C35 174.2(5) . . . . ?
C32 C33 C34 C35 -4.4(9) . . . . ?
N10 C34 C35 C36 -0.8(9) . . . . ?
C33 C34 C35 C36 -178.1(6) . . . . ?
C34 C35 C36 C37 1.8(10) . . . . ?
C35 C36 C37 C38 -1.6(10) . . . . ?
C34 N10 C38 C37 0.5(8) . . . . ?
Ru2 N10 C38 C37 173.9(4) . . . . ?
C34 N10 C38 C39 -177.7(5) . . . . ?
Ru2 N10 C38 C39 -4.3(6) . . . . ?
C36 C37 C38 N10 0.5(9) . . . . ?
C36 C37 C38 C39 178.4(6) . . . . ?
C43 N11 C39 C40 0.1(9) . . . . ?
Ru2 N11 C39 C40 -178.8(5) . . . . ?
C43 N11 C39 C38 178.8(5) . . . . ?
Ru2 N11 C39 C38 0.0(6) . . . . ?
N10 C38 C39 N11 2.6(7) . . . . ?
C37 C38 C39 N11 -175.4(6) . . . . ?
N10 C38 C39 C40 -178.6(6) . . . . ?
C37 C38 C39 C40 3.3(10) . . . . ?
N11 C39 C40 C41 -0.9(11) . . . . ?
C38 C39 C40 C41 -179.5(7) . . . . ?
C39 C40 C41 C42 1.7(13) . . . . ?
C40 C41 C42 C43 -1.8(14) . . . . ?
C39 N11 C43 C42 -0.2(10) . . . . ?
Ru2 N11 C43 C42 178.4(6) . . . . ?
C41 C42 C43 N11 1.1(13) . . . . ?
C1R' C2R C1R N1R -141(21) . . . . ?
C1R C2R C1R' N1R' -32(11) . . . . ?
C1R C2R C1R' C1R' -32(11) . . . 3_567 ?
C2R C1R' N1R' C1R' 39(19) . . . 3_567 ?

_diffrn_measured_fraction_theta_max 0.943
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         2.992
_refine_diff_density_min         -2.069
_refine_diff_density_rms         0.206
