# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Goutam Lahiri'
_publ_contact_author_email       LAHIRI@CHEM.IITB.AC.IN

_publ_section_title              
;
Valence structures of the diastereomeric
complexes meso- and rac-[Ru2(acac)4(?-Q)]n (n = 2?,?,0,+, 2+)
with the multiply quinonoid bridging ligand
Q = 1,2,4,5-tetraimino-3,6-diketocyclohexane
;
loop_
_publ_author_name
'Goutam Lahiri'
'Amit Kumar Das'
'Atanu Kumar Das'
'Jan Fiedler'
'W Kaim'
'Doyel Kumbhakar'
;
S.M.Mobin
;
'Biprajit Sarkar'

# Attachment '1.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 726828'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H32 N4 O12 Ru2'
_chemical_formula_weight         794.70

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

_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                   7.762(3)
_cell_length_b                   14.41(2)
_cell_length_c                   14.4522(13)
_cell_angle_alpha                77.566(3)
_cell_angle_beta                 85.492(8)
_cell_angle_gamma                89.57(3)
_cell_volume                     1574(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1152
_cell_measurement_theta_min      3.0763
_cell_measurement_theta_max      32.7368

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_min  0.7984
_exptl_absorpt_correction_T_max  0.8614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       \w/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15769
_diffrn_reflns_av_R_equivalents  0.1577
_diffrn_reflns_av_sigmaI/netI    0.2390
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         30.00
_reflns_number_total             8970
_reflns_number_gt                4532
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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         8970
_refine_ls_number_parameters     405
_refine_ls_number_restraints     353
_refine_ls_R_factor_all          0.3239
_refine_ls_R_factor_gt           0.2411
_refine_ls_wR_factor_ref         0.5299
_refine_ls_wR_factor_gt          0.4924
_refine_ls_goodness_of_fit_ref   1.484
_refine_ls_restrained_S_all      1.463
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.001

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 0.1818(2) 0.66196(11) 0.27013(12) 0.0283(5) Uani 1 1 d U . .
Ru2 Ru 0.1632(2) 0.83838(11) 0.73004(13) 0.0265(5) Uani 1 1 d U . .
O1 O 0.4168(18) 0.6385(9) 0.3197(10) 0.026(3) Uani 1 1 d U . .
O2 O 0.228(2) 0.8017(10) 0.2328(11) 0.032(3) Uani 1 1 d U . .
O3 O 0.279(2) 0.6399(12) 0.1413(13) 0.045(4) Uani 1 1 d U . .
O4 O -0.0453(19) 0.6912(10) 0.2145(11) 0.031(3) Uani 1 1 d U . .
O5 O -0.0293(19) 0.6511(9) 0.5876(11) 0.028(3) Uani 1 1 d U . .
O6 O -0.070(2) 0.8073(10) 0.7882(11) 0.032(3) Uani 1 1 d U . .
O7 O 0.255(2) 0.8604(13) 0.8585(13) 0.046(4) Uani 1 1 d U . .
O8 O 0.212(2) 0.7008(11) 0.7644(11) 0.034(3) Uani 1 1 d U . .
O9 O 0.409(2) 0.8610(10) 0.6782(10) 0.029(3) Uani 1 1 d U . .
O10 O -0.024(2) 0.8500(10) 0.4159(12) 0.038(4) Uani 1 1 d U . .
N1 N 0.127(2) 0.5298(11) 0.3170(12) 0.021(3) Uani 1 1 d U . .
H1 H 0.1434 0.4862 0.2829 0.026 Uiso 1 1 calc R . .
N2 N 0.097(2) 0.6704(11) 0.3932(12) 0.022(3) Uani 1 1 d U . .
H2 H 0.0879 0.7250 0.4110 0.026 Uiso 1 1 calc R . .
N3 N 0.0849(19) 0.8300(11) 0.6055(11) 0.017(3) Uani 1 1 d U . .
H3 H 0.0727 0.7753 0.5889 0.020 Uiso 1 1 calc R . .
N4 N 0.107(2) 0.9652(10) 0.6802(12) 0.019(3) Uani 1 1 d U . .
H4 H 0.1132 1.0086 0.7143 0.023 Uiso 1 1 calc R . .
C1 C 0.662(3) 0.6678(19) 0.399(2) 0.044(6) Uani 1 1 d U . .
H1A H 0.6227 0.6329 0.4632 0.066 Uiso 1 1 calc R . .
H1B H 0.7359 0.7213 0.4037 0.066 Uiso 1 1 calc R . .
H1C H 0.7279 0.6253 0.3655 0.066 Uiso 1 1 calc R . .
C2 C 0.510(3) 0.7043(18) 0.3464(18) 0.039(5) Uani 1 1 d U . .
C3 C 0.481(4) 0.797(2) 0.328(2) 0.057(7) Uani 1 1 d U . .
H3A H 0.5507 0.8344 0.3572 0.068 Uiso 1 1 calc R . .
C4 C 0.355(3) 0.8446(15) 0.2693(17) 0.034(5) Uani 1 1 d U . .
C5 C 0.345(4) 0.948(2) 0.252(2) 0.064(8) Uani 1 1 d U . .
H5A H 0.4259 0.9755 0.1978 0.096 Uiso 1 1 calc R . .
H5B H 0.3748 0.9691 0.3084 0.096 Uiso 1 1 calc R . .
H5C H 0.2271 0.9675 0.2376 0.096 Uiso 1 1 calc R . .
C6 C 0.292(3) 0.5889(19) -0.0017(19) 0.044(6) Uani 1 1 d U . .
H6A H 0.2628 0.6290 -0.0621 0.066 Uiso 1 1 calc R . .
H6B H 0.2648 0.5224 -0.0009 0.066 Uiso 1 1 calc R . .
H6C H 0.4156 0.5954 0.0053 0.066 Uiso 1 1 calc R . .
C7 C 0.189(3) 0.6191(17) 0.0787(18) 0.038(5) Uani 1 1 d U . .
C8 C 0.015(3) 0.6293(16) 0.0740(18) 0.036(5) Uani 1 1 d U . .
H8 H -0.0321 0.6096 0.0225 0.043 Uiso 1 1 calc R . .
C9 C -0.097(4) 0.663(2) 0.132(2) 0.054(7) Uani 1 1 d U . .
C10 C -0.290(4) 0.682(2) 0.117(2) 0.053(7) Uani 1 1 d U . .
H10A H -0.3270 0.6456 0.0722 0.079 Uiso 1 1 calc R . .
H10B H -0.3054 0.7503 0.0906 0.079 Uiso 1 1 calc R . .
H10C H -0.3586 0.6637 0.1776 0.079 Uiso 1 1 calc R . .
C11 C 0.064(3) 0.5119(14) 0.4055(15) 0.024(4) Uani 1 1 d U . .
C12 C 0.052(2) 0.5901(12) 0.4503(13) 0.018(4) Uani 1 1 d U . .
C13 C -0.011(3) 0.5820(14) 0.5478(15) 0.027(4) Uani 1 1 d U . .
C14 C -0.321(3) 0.8147(19) 0.881(2) 0.047(6) Uani 1 1 d U . .
H14A H -0.3703 0.8062 0.8228 0.071 Uiso 1 1 calc R . .
H14B H -0.3716 0.8708 0.9002 0.071 Uiso 1 1 calc R . .
H14C H -0.3459 0.7584 0.9316 0.071 Uiso 1 1 calc R . .
C15 C -0.130(3) 0.8283(17) 0.8622(19) 0.041(6) Uani 1 1 d U . .
C16 C -0.031(4) 0.872(2) 0.925(2) 0.059(8) Uani 1 1 d U . .
H16 H -0.0964 0.8966 0.9725 0.071 Uiso 1 1 calc R . .
C17 C 0.146(4) 0.8807(19) 0.924(2) 0.046(6) Uani 1 1 d U . .
C18 C 0.260(4) 0.908(2) 1.002(2) 0.060(8) Uani 1 1 d U . .
H18A H 0.3077 0.8507 1.0395 0.091 Uiso 1 1 calc R . .
H18B H 0.1870 0.9404 1.0436 0.091 Uiso 1 1 calc R . .
H18C H 0.3543 0.9510 0.9698 0.091 Uiso 1 1 calc R . .
C19 C 0.322(4) 0.5476(18) 0.749(2) 0.046(5) Uani 1 1 d U . .
H19A H 0.2491 0.5255 0.8087 0.070 Uiso 1 1 calc R . .
H19B H 0.4381 0.5217 0.7568 0.070 Uiso 1 1 calc R . .
H19C H 0.2714 0.5260 0.6975 0.070 Uiso 1 1 calc R . .
C20 C 0.332(3) 0.6578(17) 0.7264(18) 0.037(4) Uani 1 1 d U . .
C21 C 0.466(3) 0.6975(16) 0.6690(17) 0.032(4) Uani 1 1 d U . .
H21 H 0.5436 0.6593 0.6392 0.038 Uiso 1 1 calc R . .
C22 C 0.494(3) 0.7988(16) 0.6525(15) 0.030(4) Uani 1 1 d U . .
C23 C 0.663(3) 0.8315(17) 0.5995(18) 0.037(5) Uani 1 1 d U . .
H23A H 0.6451 0.8884 0.5502 0.055 Uiso 1 1 calc R . .
H23B H 0.7118 0.7811 0.5698 0.055 Uiso 1 1 calc R . .
H23C H 0.7428 0.8466 0.6435 0.055 Uiso 1 1 calc R . .
C24 C 0.058(2) 0.9871(13) 0.5951(14) 0.021(3) Uani 1 1 d U . .
C25 C 0.053(2) 0.9095(11) 0.5501(13) 0.015(3) Uani 1 1 d U . .
C26 C -0.012(2) 0.9174(12) 0.4539(14) 0.020(3) Uani 1 1 d U . .
O111 O 0.142(3) 0.3975(14) 0.1864(14) 0.055(5) Uani 1 1 d U . .
O222 O 0.881(3) 0.8947(13) 0.1914(13) 0.048(4) Uani 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0471(12) 0.0149(8) 0.0201(9) 0.0011(6) 0.0016(7) -0.0065(7)
Ru2 0.0270(10) 0.0139(8) 0.0360(11) -0.0025(7) 0.0052(7) 0.0031(6)
O1 0.026(6) 0.021(6) 0.026(6) 0.006(5) -0.009(5) 0.002(5)
O2 0.041(7) 0.023(6) 0.029(7) -0.004(5) 0.001(5) -0.003(5)
O3 0.056(8) 0.034(7) 0.044(8) -0.011(6) 0.008(6) -0.014(6)
O4 0.030(7) 0.016(5) 0.045(7) -0.006(5) 0.011(5) -0.007(5)
O5 0.035(7) 0.017(5) 0.032(7) -0.002(5) 0.000(5) -0.006(5)
O6 0.043(7) 0.023(6) 0.026(6) 0.000(5) 0.005(5) -0.008(5)
O7 0.048(8) 0.046(8) 0.038(7) -0.001(6) 0.001(6) -0.005(6)
O8 0.032(6) 0.031(6) 0.034(7) 0.002(5) 0.000(5) 0.002(5)
O9 0.041(7) 0.019(5) 0.023(6) 0.001(5) 0.014(5) -0.010(5)
O10 0.048(7) 0.024(6) 0.043(7) -0.013(6) 0.002(6) -0.001(6)
N1 0.018(6) 0.016(6) 0.028(7) -0.006(5) 0.009(5) 0.000(5)
N2 0.021(7) 0.015(6) 0.029(7) -0.004(5) -0.006(5) -0.013(5)
N3 0.016(6) 0.018(6) 0.016(6) -0.003(5) 0.002(5) 0.006(5)
N4 0.024(7) 0.007(5) 0.028(6) -0.008(5) 0.001(5) 0.003(5)
C1 0.037(9) 0.046(9) 0.049(10) -0.012(8) 0.005(7) 0.008(7)
C2 0.042(9) 0.039(9) 0.038(9) -0.014(7) 0.000(7) 0.005(7)
C3 0.061(11) 0.051(10) 0.058(11) -0.016(8) 0.005(8) -0.001(8)
C4 0.032(8) 0.025(8) 0.042(9) -0.005(7) 0.007(7) -0.007(7)
C5 0.065(11) 0.057(11) 0.064(11) -0.001(8) -0.001(8) -0.012(8)
C6 0.045(9) 0.045(9) 0.041(9) -0.005(7) -0.003(7) 0.007(8)
C7 0.047(9) 0.033(8) 0.033(9) -0.005(7) -0.001(7) 0.006(7)
C8 0.040(9) 0.031(8) 0.035(9) -0.008(7) -0.001(7) 0.004(7)
C9 0.052(10) 0.045(10) 0.062(11) 0.000(8) -0.005(8) -0.020(8)
C10 0.056(10) 0.049(10) 0.050(10) -0.007(8) 0.008(8) -0.001(8)
C11 0.025(8) 0.022(7) 0.027(8) -0.007(6) -0.002(6) 0.000(6)
C12 0.014(7) 0.014(6) 0.025(7) -0.001(5) -0.003(6) -0.001(5)
C13 0.029(8) 0.024(7) 0.028(8) -0.006(6) -0.007(6) -0.009(6)
C14 0.051(10) 0.043(9) 0.047(10) -0.008(8) 0.001(8) 0.003(8)
C15 0.047(9) 0.031(8) 0.043(9) -0.005(7) -0.002(7) -0.007(7)
C16 0.061(11) 0.052(11) 0.059(11) -0.007(8) 0.001(8) 0.007(8)
C17 0.052(10) 0.042(9) 0.042(9) -0.007(7) 0.002(8) 0.004(8)
C18 0.070(11) 0.056(11) 0.056(11) -0.014(8) -0.006(8) -0.001(8)
C19 0.054(10) 0.039(6) 0.044(9) -0.007(7) 0.003(7) 0.005(7)
C20 0.038(8) 0.036(6) 0.035(8) -0.003(6) 0.002(6) 0.001(6)
C21 0.030(7) 0.029(6) 0.037(8) -0.008(6) -0.002(6) 0.006(6)
C22 0.027(7) 0.031(6) 0.027(7) 0.001(6) -0.002(6) 0.006(5)
C23 0.028(7) 0.040(8) 0.041(9) -0.008(7) -0.002(6) 0.001(6)
C24 0.020(7) 0.015(6) 0.028(6) -0.004(5) 0.003(5) 0.000(6)
C25 0.010(6) 0.005(5) 0.027(6) -0.001(5) 0.005(5) 0.004(5)
C26 0.019(7) 0.013(6) 0.025(6) 0.000(5) 0.006(5) -0.005(6)
O111 0.066(9) 0.047(8) 0.052(8) -0.014(7) 0.007(7) 0.006(7)
O222 0.061(8) 0.042(7) 0.045(8) -0.017(6) -0.004(6) 0.003(6)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 1.876(17) . ?
Ru1 N1 1.918(15) . ?
Ru1 O2 1.997(14) . ?
Ru1 O4 1.999(16) . ?
Ru1 O1 2.011(13) . ?
Ru1 O3 2.041(18) . ?
Ru2 N4 1.876(15) . ?
Ru2 O6 1.947(15) . ?
Ru2 N3 1.973(15) . ?
Ru2 O8 1.979(16) . ?
Ru2 O9 1.996(14) . ?
Ru2 O7 2.126(19) . ?
O1 C2 1.33(3) . ?
O2 C4 1.36(3) . ?
O3 C7 1.27(3) . ?
O4 C9 1.42(4) . ?
O5 C13 1.25(2) . ?
O6 C15 1.23(3) . ?
O7 C17 1.30(3) . ?
O8 C20 1.27(3) . ?
O9 C22 1.22(3) . ?
O10 C26 1.22(2) . ?
N1 C11 1.31(3) . ?
N1 H1 0.8800 . ?
N2 C12 1.30(2) . ?
N2 H2 0.8800 . ?
N3 C25 1.28(2) . ?
N3 H3 0.8800 . ?
N4 C24 1.29(3) . ?
N4 H4 0.8800 . ?
C1 C2 1.49(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.32(4) . ?
C3 C4 1.43(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.45(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.50(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.37(3) . ?
C8 C9 1.33(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.54(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.41(3) . ?
C11 C13 1.42(3) 2_566 ?
C12 C13 1.44(3) . ?
C13 C11 1.42(3) 2_566 ?
C14 C15 1.49(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.48(4) . ?
C16 C17 1.38(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.60(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.55(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.33(3) . ?
C21 C22 1.44(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.49(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.41(3) . ?
C24 C26 1.46(3) 2_576 ?
C25 C26 1.50(3) . ?
C26 C24 1.46(3) 2_576 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ru1 N1 82.7(7) . . ?
N2 Ru1 O2 91.9(6) . . ?
N1 Ru1 O2 174.6(7) . . ?
N2 Ru1 O4 94.3(7) . . ?
N1 Ru1 O4 93.8(6) . . ?
O2 Ru1 O4 86.0(6) . . ?
N2 Ru1 O1 87.9(7) . . ?
N1 Ru1 O1 89.1(6) . . ?
O2 Ru1 O1 91.3(6) . . ?
O4 Ru1 O1 176.6(6) . . ?
N2 Ru1 O3 174.7(7) . . ?
N1 Ru1 O3 92.4(7) . . ?
O2 Ru1 O3 93.0(6) . . ?
O4 Ru1 O3 88.0(7) . . ?
O1 Ru1 O3 90.0(7) . . ?
N4 Ru2 O6 92.8(7) . . ?
N4 Ru2 N3 78.5(7) . . ?
O6 Ru2 N3 89.8(6) . . ?
N4 Ru2 O8 171.4(7) . . ?
O6 Ru2 O8 87.1(6) . . ?
N3 Ru2 O8 92.9(6) . . ?
N4 Ru2 O9 91.6(6) . . ?
O6 Ru2 O9 175.2(6) . . ?
N3 Ru2 O9 92.8(6) . . ?
O8 Ru2 O9 88.8(6) . . ?
N4 Ru2 O7 97.0(7) . . ?
O6 Ru2 O7 92.9(7) . . ?
N3 Ru2 O7 174.8(6) . . ?
O8 Ru2 O7 91.7(7) . . ?
O9 Ru2 O7 84.7(7) . . ?
C2 O1 Ru1 124.0(14) . . ?
C4 O2 Ru1 122.5(14) . . ?
C7 O3 Ru1 125.1(17) . . ?
C9 O4 Ru1 125.6(16) . . ?
C15 O6 Ru2 125.2(15) . . ?
C17 O7 Ru2 119.4(18) . . ?
C20 O8 Ru2 126.1(15) . . ?
C22 O9 Ru2 121.4(13) . . ?
C11 N1 Ru1 112.1(13) . . ?
C11 N1 H1 123.9 . . ?
Ru1 N1 H1 123.9 . . ?
C12 N2 Ru1 115.5(13) . . ?
C12 N2 H2 122.3 . . ?
Ru1 N2 H2 122.3 . . ?
C25 N3 Ru2 115.7(13) . . ?
C25 N3 H3 122.1 . . ?
Ru2 N3 H3 122.2 . . ?
C24 N4 Ru2 118.5(13) . . ?
C24 N4 H4 120.7 . . ?
Ru2 N4 H4 120.7 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 126(3) . . ?
C3 C2 C1 119(3) . . ?
O1 C2 C1 115(2) . . ?
C2 C3 C4 126(3) . . ?
C2 C3 H3A 117.0 . . ?
C4 C3 H3A 117.0 . . ?
O2 C4 C3 125(2) . . ?
O2 C4 C5 115(2) . . ?
C3 C4 C5 119(2) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C8 127(2) . . ?
O3 C7 C6 115(2) . . ?
C8 C7 C6 118(2) . . ?
C9 C8 C7 128(3) . . ?
C9 C8 H8 115.9 . . ?
C7 C8 H8 115.9 . . ?
C8 C9 O4 122(3) . . ?
C8 C9 C10 125(3) . . ?
O4 C9 C10 113(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 116.3(17) . . ?
N1 C11 C13 120.4(18) . 2_566 ?
C12 C11 C13 123.3(19) . 2_566 ?
N2 C12 C11 113.2(18) . . ?
N2 C12 C13 123.5(18) . . ?
C11 C12 C13 123.3(17) . . ?
O5 C13 C11 122.3(19) . 2_566 ?
O5 C13 C12 124.1(18) . . ?
C11 C13 C12 113.5(18) 2_566 . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O6 C15 C16 125(3) . . ?
O6 C15 C14 115(2) . . ?
C16 C15 C14 121(3) . . ?
C17 C16 C15 128(3) . . ?
C17 C16 H16 116.1 . . ?
C15 C16 H16 116.1 . . ?
O7 C17 C16 125(3) . . ?
O7 C17 C18 106(2) . . ?
C16 C17 C18 129(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O8 C20 C21 127(2) . . ?
O8 C20 C19 117(2) . . ?
C21 C20 C19 116(2) . . ?
C20 C21 C22 119(2) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
O9 C22 C21 131(2) . . ?
O9 C22 C23 115(2) . . ?
C21 C22 C23 114(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N4 C24 C25 114.0(16) . . ?
N4 C24 C26 125.0(17) . 2_576 ?
C25 C24 C26 121.1(18) . 2_576 ?
N3 C25 C24 112.8(17) . . ?
N3 C25 C26 123.5(16) . . ?
C24 C25 C26 122.9(15) . . ?
O10 C26 C24 120.6(19) . 2_576 ?
O10 C26 C25 123.6(17) . . ?
C24 C26 C25 115.8(16) 2_576 . ?

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
N2 Ru1 O1 C2 -69.6(17) . . . . ?
N1 Ru1 O1 C2 -152.3(17) . . . . ?
O2 Ru1 O1 C2 22.3(17) . . . . ?
O4 Ru1 O1 C2 61(11) . . . . ?
O3 Ru1 O1 C2 115.3(17) . . . . ?
N2 Ru1 O2 C4 69.1(17) . . . . ?
N1 Ru1 O2 C4 75(8) . . . . ?
O4 Ru1 O2 C4 163.3(17) . . . . ?
O1 Ru1 O2 C4 -18.8(17) . . . . ?
O3 Ru1 O2 C4 -108.9(17) . . . . ?
N2 Ru1 O3 C7 94(8) . . . . ?
N1 Ru1 O3 C7 71.2(19) . . . . ?
O2 Ru1 O3 C7 -108.4(19) . . . . ?
O4 Ru1 O3 C7 -22.5(19) . . . . ?
O1 Ru1 O3 C7 160.3(19) . . . . ?
N2 Ru1 O4 C9 -154.9(17) . . . . ?
N1 Ru1 O4 C9 -71.9(17) . . . . ?
O2 Ru1 O4 C9 113.5(17) . . . . ?
O1 Ru1 O4 C9 75(11) . . . . ?
O3 Ru1 O4 C9 20.4(17) . . . . ?
N4 Ru2 O6 C15 -77(2) . . . . ?
N3 Ru2 O6 C15 -155.9(19) . . . . ?
O8 Ru2 O6 C15 111.2(19) . . . . ?
O9 Ru2 O6 C15 80(8) . . . . ?
O7 Ru2 O6 C15 20(2) . . . . ?
N4 Ru2 O7 C17 70.6(19) . . . . ?
O6 Ru2 O7 C17 -22.6(19) . . . . ?
N3 Ru2 O7 C17 99(7) . . . . ?
O8 Ru2 O7 C17 -109.8(19) . . . . ?
O9 Ru2 O7 C17 161.5(19) . . . . ?
N4 Ru2 O8 C20 69(5) . . . . ?
O6 Ru2 O8 C20 159(2) . . . . ?
N3 Ru2 O8 C20 69(2) . . . . ?
O9 Ru2 O8 C20 -24(2) . . . . ?
O7 Ru2 O8 C20 -108(2) . . . . ?
N4 Ru2 O9 C22 -147.9(17) . . . . ?
O6 Ru2 O9 C22 55(8) . . . . ?
N3 Ru2 O9 C22 -69.4(17) . . . . ?
O8 Ru2 O9 C22 23.5(17) . . . . ?
O7 Ru2 O9 C22 115.3(17) . . . . ?
N2 Ru1 N1 C11 -0.5(14) . . . . ?
O2 Ru1 N1 C11 -7(8) . . . . ?
O4 Ru1 N1 C11 -94.3(15) . . . . ?
O1 Ru1 N1 C11 87.5(15) . . . . ?
O3 Ru1 N1 C11 177.5(15) . . . . ?
N1 Ru1 N2 C12 3.0(14) . . . . ?
O2 Ru1 N2 C12 -177.6(14) . . . . ?
O4 Ru1 N2 C12 96.3(14) . . . . ?
O1 Ru1 N2 C12 -86.4(14) . . . . ?
O3 Ru1 N2 C12 -20(8) . . . . ?
N4 Ru2 N3 C25 6.5(13) . . . . ?
O6 Ru2 N3 C25 99.5(13) . . . . ?
O8 Ru2 N3 C25 -173.4(13) . . . . ?
O9 Ru2 N3 C25 -84.5(13) . . . . ?
O7 Ru2 N3 C25 -23(8) . . . . ?
O6 Ru2 N4 C24 -93.0(15) . . . . ?
N3 Ru2 N4 C24 -3.7(14) . . . . ?
O8 Ru2 N4 C24 -4(5) . . . . ?
O9 Ru2 N4 C24 88.8(15) . . . . ?
O7 Ru2 N4 C24 173.7(15) . . . . ?
Ru1 O1 C2 C3 -14(4) . . . . ?
Ru1 O1 C2 C1 167.8(16) . . . . ?
O1 C2 C3 C4 -6(5) . . . . ?
C1 C2 C3 C4 172(3) . . . . ?
Ru1 O2 C4 C3 8(3) . . . . ?
Ru1 O2 C4 C5 -166.4(19) . . . . ?
C2 C3 C4 O2 10(5) . . . . ?
C2 C3 C4 C5 -177(3) . . . . ?
Ru1 O3 C7 C8 17(3) . . . . ?
Ru1 O3 C7 C6 -169.1(16) . . . . ?
O3 C7 C8 C9 1(4) . . . . ?
C6 C7 C8 C9 -173(3) . . . . ?
C7 C8 C9 O4 -3(4) . . . . ?
C7 C8 C9 C10 173(2) . . . . ?
Ru1 O4 C9 C8 -13(3) . . . . ?
Ru1 O4 C9 C10 170.7(15) . . . . ?
Ru1 N1 C11 C12 -2(2) . . . . ?
Ru1 N1 C11 C13 178.5(15) . . . 2_566 ?
Ru1 N2 C12 C11 -5(2) . . . . ?
Ru1 N2 C12 C13 178.2(15) . . . . ?
N1 C11 C12 N2 4(3) . . . . ?
C13 C11 C12 N2 -176.1(18) 2_566 . . . ?
N1 C11 C12 C13 -178.5(18) . . . . ?
C13 C11 C12 C13 1(3) 2_566 . . . ?
N2 C12 C13 O5 0(3) . . . . ?
C11 C12 C13 O5 -177.0(19) . . . . ?
N2 C12 C13 C11 175.9(18) . . . 2_566 ?
C11 C12 C13 C11 -1(3) . . . 2_566 ?
Ru2 O6 C15 C16 -7(4) . . . . ?
Ru2 O6 C15 C14 167.7(15) . . . . ?
O6 C15 C16 C17 -13(5) . . . . ?
C14 C15 C16 C17 173(3) . . . . ?
Ru2 O7 C17 C16 13(3) . . . . ?
Ru2 O7 C17 C18 -171.3(16) . . . . ?
C15 C16 C17 O7 8(5) . . . . ?
C15 C16 C17 C18 -167(3) . . . . ?
Ru2 O8 C20 C21 13(4) . . . . ?
Ru2 O8 C20 C19 -167.3(16) . . . . ?
O8 C20 C21 C22 6(4) . . . . ?
C19 C20 C21 C22 -173(2) . . . . ?
Ru2 O9 C22 C21 -15(3) . . . . ?
Ru2 O9 C22 C23 169.2(15) . . . . ?
C20 C21 C22 O9 -5(4) . . . . ?
C20 C21 C22 C23 171(2) . . . . ?
Ru2 N4 C24 C25 1(2) . . . . ?
Ru2 N4 C24 C26 -179.2(14) . . . 2_576 ?
Ru2 N3 C25 C24 -7.9(19) . . . . ?
Ru2 N3 C25 C26 -178.3(13) . . . . ?
N4 C24 C25 N3 5(2) . . . . ?
C26 C24 C25 N3 -175.3(16) 2_576 . . . ?
N4 C24 C25 C26 175.3(16) . . . . ?
C26 C24 C25 C26 -5(3) 2_576 . . . ?
N3 C25 C26 O10 -8(3) . . . . ?
C24 C25 C26 O10 -177.0(18) . . . . ?
N3 C25 C26 C24 174.0(16) . . . 2_576 ?
C24 C25 C26 C24 5(3) . . . 2_576 ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         14.325
_refine_diff_density_min         -2.656
_refine_diff_density_rms         0.520