# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 980017'
_audit_update_record             
;
2016-01-05 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H22 Cl2 N2 O12 Ru2'
_chemical_formula_weight         695.39

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'
Cl Cl 0.1484 0.1585 '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                   8.0200(3)
_cell_length_b                   12.3646(5)
_cell_length_c                   13.3489(5)
_cell_angle_alpha                78.640(3)
_cell_angle_beta                 82.951(3)
_cell_angle_gamma                76.046(3)
_cell_volume                     1255.56(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8671
_cell_measurement_theta_min      3.82
_cell_measurement_theta_max      29.00

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             688
_exptl_absorpt_coefficient_mu    1.474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8203
_exptl_absorpt_correction_T_max  0.8788
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24960
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4905
_reflns_number_gt                4091
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0298P)²+0.8025P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4905
_refine_ls_number_parameters     302
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0275
_refine_ls_wR_factor_ref         0.0716
_refine_ls_wR_factor_gt          0.0651
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.000
_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 0.60359(3) 0.71111(2) 0.326429(18) 0.02830(8) Uani 1 1 d . . .
Ru2 Ru 0.40212(3) 0.83595(2) 0.180752(18) 0.02795(8) Uani 1 1 d . . .
O1 O 0.4507(3) 0.8207(2) 0.42348(17) 0.0412(6) Uani 1 1 d . . .
O2 O 0.2949(3) 0.93029(19) 0.29974(17) 0.0411(6) Uani 1 1 d . . .
O3 O 0.7339(3) 0.8455(2) 0.28412(18) 0.0424(6) Uani 1 1 d . . .
O4 O 0.5848(3) 0.94151(19) 0.15259(17) 0.0373(5) Uani 1 1 d . . .
O5 O 0.8254(4) 0.5673(3) 0.1847(2) 0.0696(9) Uani 1 1 d . . .
O6 O 0.3958(4) 0.5364(3) 0.3953(2) 0.0681(9) Uani 1 1 d . . .
O7 O 0.5666(4) 0.7039(3) 0.0168(2) 0.0741(9) Uani 1 1 d . . .
O8 O 0.1458(3) 0.6901(2) 0.2323(2) 0.0574(7) Uani 1 1 d . . .
O9 O 1.0975(4) 0.7419(2) 0.5660(2) 0.0636(8) Uani 1 1 d D . .
O10 O 1.0285(3) 0.5744(2) 0.5970(2) 0.0576(7) Uani 1 1 d . . .
O11 O 0.0229(3) 1.2738(2) 0.0761(2) 0.0507(7) Uani 1 1 d D . .
O12 O 0.0008(3) 1.1526(2) -0.0229(2) 0.0517(7) Uani 1 1 d . . .
N1 N 0.7711(4) 0.6557(2) 0.4587(2) 0.0415(7) Uani 1 1 d . . .
H1A H 0.7014 0.6574 0.5169 0.050 Uiso 1 1 calc R . .
H1B H 0.8256 0.5830 0.4584 0.050 Uiso 1 1 calc R . .
N2 N 0.2529(3) 0.9829(2) 0.0738(2) 0.0355(6) Uani 1 1 d . . .
H2A H 0.3170 0.9911 0.0137 0.043 Uiso 1 1 calc R . .
H2B H 0.1568 0.9638 0.0617 0.043 Uiso 1 1 calc R . .
C1 C 0.3401(4) 0.9059(3) 0.3895(2) 0.0348(7) Uani 1 1 d . . .
C2 C 0.2555(5) 0.9863(3) 0.4616(3) 0.0560(10) Uani 1 1 d . . .
H2C H 0.1923 0.9480 0.5175 0.084 Uiso 1 1 calc R . .
H2D H 0.1781 1.0497 0.4255 0.084 Uiso 1 1 calc R . .
H2E H 0.3422 1.0124 0.4877 0.084 Uiso 1 1 calc R . .
C3 C 0.6971(4) 0.9285(3) 0.2143(2) 0.0320(7) Uani 1 1 d . . .
C4 C 0.7940(5) 1.0198(3) 0.2048(3) 0.0519(10) Uani 1 1 d . . .
H4A H 0.7291 1.0775 0.2420 0.078 Uiso 1 1 calc R . .
H4B H 0.8112 1.0522 0.1339 0.078 Uiso 1 1 calc R . .
H4C H 0.9037 0.9884 0.2326 0.078 Uiso 1 1 calc R . .
C5 C 0.4760(5) 0.6035(3) 0.3676(3) 0.0404(8) Uani 1 1 d . . .
C6 C 0.7405(5) 0.6226(3) 0.2392(3) 0.0440(9) Uani 1 1 d . . .
C7 C 0.2432(4) 0.7472(3) 0.2116(2) 0.0379(8) Uani 1 1 d . . .
C8 C 0.5020(5) 0.7547(3) 0.0808(3) 0.0426(8) Uani 1 1 d . . .
C9 C 0.8988(5) 0.7178(3) 0.4636(3) 0.0449(9) Uani 1 1 d . . .
H9A H 0.8411 0.7945 0.4714 0.054 Uiso 1 1 calc R . .
H9B H 0.9697 0.7217 0.3993 0.054 Uiso 1 1 calc R . .
C10 C 1.0135(4) 0.6674(3) 0.5496(3) 0.0377(8) Uani 1 1 d . . .
C11 C 1.2184(6) 0.7039(4) 0.6441(4) 0.0839(17) Uani 1 1 d D . .
H11A H 1.1571 0.6892 0.7100 0.126 Uiso 1 1 calc R . .
H11B H 1.2806 0.7613 0.6437 0.126 Uiso 1 1 calc R . .
H11C H 1.2980 0.6357 0.6306 0.126 Uiso 1 1 calc R . .
C12 C 0.2018(4) 1.0927(3) 0.1062(3) 0.0383(8) Uani 1 1 d . . .
H12A H 0.3026 1.1244 0.1009 0.046 Uiso 1 1 calc R . .
H12B H 0.1580 1.0823 0.1777 0.046 Uiso 1 1 calc R . .
C13 C 0.0664(4) 1.1752(3) 0.0440(3) 0.0359(8) Uani 1 1 d . . .
C14 C -0.1119(5) 1.3577(3) 0.0237(3) 0.0615(11) Uani 1 1 d D . .
H14A H -0.0739 1.3763 -0.0473 0.092 Uiso 1 1 calc R . .
H14B H -0.1378 1.4246 0.0542 0.092 Uiso 1 1 calc R . .
H14C H -0.2134 1.3280 0.0294 0.092 Uiso 1 1 calc R . .
C15 C 0.7184(5) 0.6038(4) 0.7944(4) 0.0655(12) Uani 1 1 d . . .
H15A H 0.7967 0.5549 0.7522 0.079 Uiso 1 1 calc R . .
H15B H 0.7813 0.6110 0.8494 0.079 Uiso 1 1 calc R . .
Cl1 Cl 0.54951(17) 0.54085(12) 0.84665(11) 0.0840(4) Uani 1 1 d . . .
Cl2 Cl 0.65206(19) 0.73726(11) 0.72003(11) 0.0870(4) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C5 1.830(4) . ?
Ru1 C6 1.835(4) . ?
Ru1 O3 2.120(2) . ?
Ru1 O1 2.126(2) . ?
Ru1 N1 2.248(3) . ?
Ru1 Ru2 2.6760(3) . ?
Ru2 C8 1.819(4) . ?
Ru2 C7 1.834(4) . ?
Ru2 O2 2.129(2) . ?
Ru2 O4 2.141(2) . ?
Ru2 N2 2.263(2) . ?
O1 C1 1.250(4) . ?
O2 C1 1.252(4) . ?
O3 C3 1.246(4) . ?
O4 C3 1.255(4) . ?
O5 C6 1.145(4) . ?
O6 C5 1.148(4) . ?
O7 C8 1.157(4) . ?
O8 C7 1.150(4) . ?
O9 C10 1.328(4) . ?
O9 C11 1.444(4) . ?
O10 C10 1.184(4) . ?
O11 C13 1.326(4) . ?
O11 C14 1.447(4) . ?
O12 C13 1.198(4) . ?
N1 C9 1.434(4) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
N2 C12 1.455(4) . ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
C1 C2 1.505(5) . ?
C2 H2C 0.9600 . ?
C2 H2D 0.9600 . ?
C2 H2E 0.9600 . ?
C3 C4 1.496(4) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C9 C10 1.501(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.505(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 Cl1 1.729(4) . ?
C15 Cl2 1.748(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 Ru1 C6 89.69(16) . . ?
C5 Ru1 O3 175.17(13) . . ?
C6 Ru1 O3 94.92(14) . . ?
C5 Ru1 O1 93.18(13) . . ?
C6 Ru1 O1 177.05(13) . . ?
O3 Ru1 O1 82.19(10) . . ?
C5 Ru1 N1 95.91(12) . . ?
C6 Ru1 N1 97.57(14) . . ?
O3 Ru1 N1 84.92(9) . . ?
O1 Ru1 N1 82.82(10) . . ?
C5 Ru1 Ru2 96.09(10) . . ?
C6 Ru1 Ru2 93.86(11) . . ?
O3 Ru1 Ru2 82.19(6) . . ?
O1 Ru1 Ru2 85.16(6) . . ?
N1 Ru1 Ru2 163.44(8) . . ?
C8 Ru2 C7 88.55(15) . . ?
C8 Ru2 O2 177.75(13) . . ?
C7 Ru2 O2 92.95(13) . . ?
C8 Ru2 O4 94.18(13) . . ?
C7 Ru2 O4 177.04(12) . . ?
O2 Ru2 O4 84.28(9) . . ?
C8 Ru2 N2 95.28(13) . . ?
C7 Ru2 N2 99.42(12) . . ?
O2 Ru2 N2 86.12(9) . . ?
O4 Ru2 N2 81.49(9) . . ?
C8 Ru2 Ru1 95.78(11) . . ?
C7 Ru2 Ru1 93.34(10) . . ?
O2 Ru2 Ru1 82.47(6) . . ?
O4 Ru2 Ru1 85.26(6) . . ?
N2 Ru2 Ru1 163.29(7) . . ?
C1 O1 Ru1 121.8(2) . . ?
C1 O2 Ru2 125.0(2) . . ?
C3 O3 Ru1 125.8(2) . . ?
C3 O4 Ru2 120.3(2) . . ?
C10 O9 C11 116.9(3) . . ?
C13 O11 C14 115.6(3) . . ?
C9 N1 Ru1 118.5(2) . . ?
C9 N1 H1A 107.7 . . ?
Ru1 N1 H1A 107.7 . . ?
C9 N1 H1B 107.7 . . ?
Ru1 N1 H1B 107.7 . . ?
H1A N1 H1B 107.1 . . ?
C12 N2 Ru2 118.08(19) . . ?
C12 N2 H2A 107.8 . . ?
Ru2 N2 H2A 107.8 . . ?
C12 N2 H2B 107.8 . . ?
Ru2 N2 H2B 107.8 . . ?
H2A N2 H2B 107.1 . . ?
O1 C1 O2 125.1(3) . . ?
O1 C1 C2 117.6(3) . . ?
O2 C1 C2 117.3(3) . . ?
C1 C2 H2C 109.5 . . ?
C1 C2 H2D 109.5 . . ?
H2C C2 H2D 109.5 . . ?
C1 C2 H2E 109.5 . . ?
H2C C2 H2E 109.5 . . ?
H2D C2 H2E 109.5 . . ?
O3 C3 O4 125.2(3) . . ?
O3 C3 C4 116.8(3) . . ?
O4 C3 C4 117.9(3) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O6 C5 Ru1 178.7(3) . . ?
O5 C6 Ru1 179.8(4) . . ?
O8 C7 Ru2 178.6(3) . . ?
O7 C8 Ru2 179.3(3) . . ?
N1 C9 C10 113.9(3) . . ?
N1 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
O10 C10 O9 124.0(3) . . ?
O10 C10 C9 125.4(3) . . ?
O9 C10 C9 110.6(3) . . ?
O9 C11 H11A 109.5 . . ?
O9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C13 113.2(3) . . ?
N2 C12 H12A 108.9 . . ?
C13 C12 H12A 108.9 . . ?
N2 C12 H12B 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
O12 C13 O11 124.4(3) . . ?
O12 C13 C12 124.1(3) . . ?
O11 C13 C12 111.3(3) . . ?
O11 C14 H14A 109.5 . . ?
O11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Cl1 C15 Cl2 113.3(2) . . ?
Cl1 C15 H15A 108.9 . . ?
Cl2 C15 H15A 108.9 . . ?
Cl1 C15 H15B 108.9 . . ?
Cl2 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.096
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 980018'
_audit_update_record             
;
2016-01-05 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H24 N2 O12 Ru2'
_chemical_formula_weight         734.59

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           monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   11.2781(12)
_cell_length_b                   15.2544(15)
_cell_length_c                   19.7636(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 124.796(4)
_cell_angle_gamma                90.00
_cell_volume                     2792.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4249
_cell_measurement_theta_min      3.99
_cell_measurement_theta_max      28.49

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1464
_exptl_absorpt_coefficient_mu    1.146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8379
_exptl_absorpt_correction_T_max  0.9039
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11631
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.37
_diffrn_reflns_theta_max         25.10
_reflns_number_total             4809
_reflns_number_gt                3882
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0267P)²+1.4872P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4809
_refine_ls_number_parameters     363
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0741
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.001
_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 0.38782(3) 0.24796(2) 0.739671(19) 0.03768(10) Uani 1 1 d . . .
Ru2 Ru 0.16965(3) 0.21588(2) 0.753738(18) 0.03539(10) Uani 1 1 d . . .
O1 O 0.2399(3) 0.20876(18) 0.61535(15) 0.0451(7) Uani 1 1 d . . .
O2 O 0.0696(3) 0.16556(18) 0.63286(15) 0.0443(7) Uani 1 1 d . . .
O3 O 0.2908(3) 0.37303(17) 0.69918(16) 0.0464(7) Uani 1 1 d . . .
O4 O 0.0945(3) 0.33951(16) 0.69529(16) 0.0462(7) Uani 1 1 d . . .
O5 O 0.5947(4) 0.2954(2) 0.9162(2) 0.0786(11) Uani 1 1 d . . .
O6 O 0.4866(4) 0.0626(2) 0.7780(2) 0.0719(10) Uani 1 1 d . . .
O7 O 0.3231(4) 0.2934(2) 0.9217(2) 0.0776(10) Uani 1 1 d . . .
O8 O 0.2820(3) 0.04273(18) 0.83485(17) 0.0562(8) Uani 1 1 d . . .
O9 O 0.5097(3) 0.3812(2) 0.52266(17) 0.0650(9) Uani 1 1 d . . .
O10 O 0.6978(3) 0.3363(2) 0.64351(19) 0.0645(9) Uani 1 1 d . . .
O11 O -0.3425(4) 0.0451(3) 0.6159(2) 0.0991(13) Uani 1 1 d . . .
O12 O -0.3068(4) 0.1448(2) 0.7075(2) 0.0790(10) Uani 1 1 d . . .
N1 N -0.0535(3) 0.2019(2) 0.7265(2) 0.0466(8) Uani 1 1 d . . .
H1A H -0.0444 0.1948 0.7745 0.056 Uiso 1 1 calc R . .
H1B H -0.1024 0.2521 0.7036 0.056 Uiso 1 1 calc R . .
N2 N 0.5269(4) 0.2988(2) 0.6995(2) 0.0528(9) Uani 1 1 d . . .
H2A H 0.5769 0.3448 0.7320 0.063 Uiso 1 1 calc R . .
H2B H 0.5917 0.2566 0.7109 0.063 Uiso 1 1 calc R . .
C1 C 0.1667(4) 0.3894(2) 0.6810(2) 0.0372(9) Uani 1 1 d . . .
C2 C 0.0997(4) 0.4744(2) 0.6389(2) 0.0377(9) Uani 1 1 d . . .
C3 C -0.0302(4) 0.4998(2) 0.6240(2) 0.0432(10) Uani 1 1 d . . .
H3 H -0.0751 0.4649 0.6417 0.052 Uiso 1 1 calc R . .
C4 C -0.0942(5) 0.5771(3) 0.5825(3) 0.0542(11) Uani 1 1 d . . .
H4 H -0.1820 0.5944 0.5725 0.065 Uiso 1 1 calc R . .
C5 C -0.0285(5) 0.6283(3) 0.5563(3) 0.0611(13) Uani 1 1 d . . .
H5 H -0.0726 0.6799 0.5278 0.073 Uiso 1 1 calc R . .
C6 C 0.1008(5) 0.6045(3) 0.5714(3) 0.0640(13) Uani 1 1 d . . .
H6 H 0.1455 0.6401 0.5541 0.077 Uiso 1 1 calc R . .
C7 C 0.1655(5) 0.5269(3) 0.6127(3) 0.0530(11) Uani 1 1 d . . .
H7 H 0.2535 0.5102 0.6227 0.064 Uiso 1 1 calc R . .
C8 C 0.1214(4) 0.1731(2) 0.5910(2) 0.0377(9) Uani 1 1 d . . .
C9 C 0.0348(4) 0.1369(2) 0.5053(2) 0.0411(10) Uani 1 1 d . . .
C10 C -0.1010(5) 0.1060(3) 0.4714(3) 0.0559(12) Uani 1 1 d . . .
H10 H -0.1399 0.1067 0.5021 0.067 Uiso 1 1 calc R . .
C11 C -0.1819(6) 0.0736(3) 0.3922(3) 0.0703(14) Uani 1 1 d . . .
H11 H -0.2747 0.0525 0.3697 0.084 Uiso 1 1 calc R . .
C12 C -0.1250(7) 0.0725(3) 0.3467(3) 0.0746(16) Uani 1 1 d . . .
H12 H -0.1797 0.0512 0.2930 0.090 Uiso 1 1 calc R . .
C13 C 0.0117(7) 0.1026(3) 0.3800(3) 0.0743(15) Uani 1 1 d . . .
H13 H 0.0502 0.1017 0.3491 0.089 Uiso 1 1 calc R . .
C14 C 0.0925(5) 0.1342(3) 0.4593(3) 0.0556(12) Uani 1 1 d . . .
H14 H 0.1861 0.1539 0.4821 0.067 Uiso 1 1 calc R . .
C15 C 0.5142(5) 0.2786(3) 0.8476(3) 0.0503(11) Uani 1 1 d . . .
C16 C 0.4534(4) 0.1348(3) 0.7653(2) 0.0489(11) Uani 1 1 d . . .
C17 C 0.2625(5) 0.2637(3) 0.8571(3) 0.0474(10) Uani 1 1 d . . .
C18 C 0.2376(4) 0.1094(3) 0.8027(2) 0.0386(9) Uani 1 1 d . . .
C19 C 0.4639(5) 0.3258(3) 0.6163(3) 0.0645(13) Uani 1 1 d . . .
H19A H 0.4042 0.3769 0.6052 0.077 Uiso 1 1 calc R . .
H19B H 0.4013 0.2794 0.5798 0.077 Uiso 1 1 calc R . .
C20 C 0.5715(5) 0.3477(3) 0.5965(3) 0.0460(10) Uani 1 1 d . . .
C21 C 0.6038(5) 0.4032(3) 0.4977(3) 0.0666(14) Uani 1 1 d . . .
H21A H 0.6596 0.4542 0.5274 0.100 Uiso 1 1 calc R . .
H21B H 0.5470 0.4152 0.4397 0.100 Uiso 1 1 calc R . .
H21C H 0.6675 0.3550 0.5096 0.100 Uiso 1 1 calc R . .
C22 C -0.1375(5) 0.1303(3) 0.6728(3) 0.0701(14) Uani 1 1 d . . .
H22A H -0.0777 0.0781 0.6917 0.084 Uiso 1 1 calc R . .
H22B H -0.1633 0.1435 0.6179 0.084 Uiso 1 1 calc R . .
C23 C -0.2718(5) 0.1105(3) 0.6672(3) 0.0565(12) Uani 1 1 d . . .
C24 C -0.4751(6) 0.0177(5) 0.6057(4) 0.115(2) Uani 1 1 d . . .
H24A H -0.4536 -0.0029 0.6575 0.173 Uiso 1 1 calc R . .
H24B H -0.5189 -0.0287 0.5658 0.173 Uiso 1 1 calc R . .
H24C H -0.5403 0.0665 0.5871 0.173 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 C15 1.825(5) . ?
Ru1 C16 1.832(5) . ?
Ru1 O3 2.116(3) . ?
Ru1 O1 2.121(3) . ?
Ru1 N2 2.261(3) . ?
Ru1 Ru2 2.6742(5) . ?
Ru2 C18 1.821(4) . ?
Ru2 C17 1.833(5) . ?
Ru2 O4 2.119(2) . ?
Ru2 O2 2.120(2) . ?
Ru2 N1 2.264(3) . ?
O1 C8 1.257(4) . ?
O2 C8 1.261(4) . ?
O3 C1 1.255(4) . ?
O4 C1 1.258(4) . ?
O5 C15 1.150(5) . ?
O6 C16 1.144(5) . ?
O7 C17 1.143(5) . ?
O8 C18 1.151(4) . ?
O9 C20 1.309(5) . ?
O9 C21 1.442(5) . ?
O10 C20 1.188(5) . ?
O11 C23 1.319(6) . ?
O11 C24 1.451(6) . ?
O12 C23 1.193(5) . ?
N1 C22 1.439(5) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
N2 C19 1.429(5) . ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
C1 C2 1.493(5) . ?
C2 C3 1.374(5) . ?
C2 C7 1.379(5) . ?
C3 C4 1.382(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.361(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.385(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.496(5) . ?
C9 C10 1.358(6) . ?
C9 C14 1.390(6) . ?
C10 C11 1.378(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.370(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.365(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.374(6) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C19 C20 1.510(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.485(6) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

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
C15 Ru1 C16 89.75(19) . . ?
C15 Ru1 O3 95.83(16) . . ?
C16 Ru1 O3 173.78(15) . . ?
C15 Ru1 O1 178.31(15) . . ?
C16 Ru1 O1 88.90(15) . . ?
O3 Ru1 O1 85.47(10) . . ?
C15 Ru1 N2 95.00(16) . . ?
C16 Ru1 N2 99.71(16) . . ?
O3 Ru1 N2 82.59(12) . . ?
O1 Ru1 N2 86.24(11) . . ?
C15 Ru1 Ru2 94.39(13) . . ?
C16 Ru1 Ru2 92.80(13) . . ?
O3 Ru1 Ru2 84.05(7) . . ?
O1 Ru1 Ru2 84.65(7) . . ?
N2 Ru1 Ru2 164.36(9) . . ?
C18 Ru2 C17 87.92(17) . . ?
C18 Ru2 O4 178.22(14) . . ?
C17 Ru2 O4 92.83(15) . . ?
C18 Ru2 O2 93.87(13) . . ?
C17 Ru2 O2 176.57(15) . . ?
O4 Ru2 O2 85.29(10) . . ?
C18 Ru2 N1 96.66(15) . . ?
C17 Ru2 N1 98.83(16) . . ?
O4 Ru2 N1 84.82(11) . . ?
O2 Ru2 N1 83.88(11) . . ?
C18 Ru2 Ru1 94.88(12) . . ?
C17 Ru2 Ru1 93.91(13) . . ?
O4 Ru2 Ru1 83.47(7) . . ?
O2 Ru2 Ru1 83.04(7) . . ?
N1 Ru2 Ru1 163.08(9) . . ?
C8 O1 Ru1 121.8(2) . . ?
C8 O2 Ru2 123.9(3) . . ?
C1 O3 Ru1 122.6(2) . . ?
C1 O4 Ru2 123.4(2) . . ?
C20 O9 C21 116.4(3) . . ?
C23 O11 C24 116.6(4) . . ?
C22 N1 Ru2 114.9(3) . . ?
C22 N1 H1A 108.5 . . ?
Ru2 N1 H1A 108.5 . . ?
C22 N1 H1B 108.5 . . ?
Ru2 N1 H1B 108.5 . . ?
H1A N1 H1B 107.5 . . ?
C19 N2 Ru1 120.9(3) . . ?
C19 N2 H2A 107.1 . . ?
Ru1 N2 H2A 107.1 . . ?
C19 N2 H2B 107.1 . . ?
Ru1 N2 H2B 107.1 . . ?
H2A N2 H2B 106.8 . . ?
O3 C1 O4 125.1(3) . . ?
O3 C1 C2 117.3(3) . . ?
O4 C1 C2 117.6(3) . . ?
C3 C2 C7 119.5(4) . . ?
C3 C2 C1 120.2(4) . . ?
C7 C2 C1 120.3(4) . . ?
C2 C3 C4 120.0(4) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.0(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.6(4) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 119.8(4) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C2 C7 C6 120.1(4) . . ?
C2 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
O1 C8 O2 125.3(3) . . ?
O1 C8 C9 117.2(3) . . ?
O2 C8 C9 117.4(4) . . ?
C10 C9 C14 119.0(4) . . ?
C10 C9 C8 120.7(4) . . ?
C14 C9 C8 120.3(4) . . ?
C9 C10 C11 120.9(4) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 119.7(5) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C13 C12 C11 120.1(5) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 120.0(5) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C9 120.3(5) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
O5 C15 Ru1 178.0(4) . . ?
O6 C16 Ru1 176.2(4) . . ?
O7 C17 Ru2 178.6(4) . . ?
O8 C18 Ru2 178.9(4) . . ?
N2 C19 C20 114.6(4) . . ?
N2 C19 H19A 108.6 . . ?
C20 C19 H19A 108.6 . . ?
N2 C19 H19B 108.6 . . ?
C20 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
O10 C20 O9 124.6(4) . . ?
O10 C20 C19 123.1(4) . . ?
O9 C20 C19 112.4(4) . . ?
O9 C21 H21A 109.5 . . ?
O9 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O9 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N1 C22 C23 115.0(4) . . ?
N1 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
N1 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
O12 C23 O11 124.0(5) . . ?
O12 C23 C22 125.1(5) . . ?
O11 C23 C22 110.7(4) . . ?
O11 C24 H24A 109.5 . . ?
O11 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O11 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

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
C15 Ru1 Ru2 C18 -77.78(18) . . . . ?
C16 Ru1 Ru2 C18 12.18(17) . . . . ?
O3 Ru1 Ru2 C18 -173.20(13) . . . . ?
O1 Ru1 Ru2 C18 100.81(13) . . . . ?
N2 Ru1 Ru2 C18 155.4(4) . . . . ?
C15 Ru1 Ru2 C17 10.46(19) . . . . ?
C16 Ru1 Ru2 C17 100.43(18) . . . . ?
O3 Ru1 Ru2 C17 -84.96(15) . . . . ?
O1 Ru1 Ru2 C17 -170.94(15) . . . . ?
N2 Ru1 Ru2 C17 -116.3(4) . . . . ?
C15 Ru1 Ru2 O4 102.87(15) . . . . ?
C16 Ru1 Ru2 O4 -167.16(15) . . . . ?
O3 Ru1 Ru2 O4 7.45(10) . . . . ?
O1 Ru1 Ru2 O4 -78.53(10) . . . . ?
N2 Ru1 Ru2 O4 -23.9(4) . . . . ?
C15 Ru1 Ru2 O2 -171.10(15) . . . . ?
C16 Ru1 Ru2 O2 -81.14(15) . . . . ?
O3 Ru1 Ru2 O2 93.48(10) . . . . ?
O1 Ru1 Ru2 O2 7.50(10) . . . . ?
N2 Ru1 Ru2 O2 62.1(4) . . . . ?
C15 Ru1 Ru2 N1 149.3(3) . . . . ?
C16 Ru1 Ru2 N1 -120.7(3) . . . . ?
O3 Ru1 Ru2 N1 53.9(3) . . . . ?
O1 Ru1 Ru2 N1 -32.1(3) . . . . ?
N2 Ru1 Ru2 N1 22.6(5) . . . . ?
C15 Ru1 O1 C8 45(5) . . . . ?
C16 Ru1 O1 C8 82.0(3) . . . . ?
O3 Ru1 O1 C8 -95.4(3) . . . . ?
N2 Ru1 O1 C8 -178.2(3) . . . . ?
Ru2 Ru1 O1 C8 -10.9(3) . . . . ?
C18 Ru2 O2 C8 -102.6(3) . . . . ?
C17 Ru2 O2 C8 19(3) . . . . ?
O4 Ru2 O2 C8 75.9(3) . . . . ?
N1 Ru2 O2 C8 161.1(3) . . . . ?
Ru1 Ru2 O2 C8 -8.1(3) . . . . ?
C15 Ru1 O3 C1 -105.8(3) . . . . ?
C16 Ru1 O3 C1 47.8(14) . . . . ?
O1 Ru1 O3 C1 73.1(3) . . . . ?
N2 Ru1 O3 C1 159.9(3) . . . . ?
Ru2 Ru1 O3 C1 -12.0(3) . . . . ?
C18 Ru2 O4 C1 -29(5) . . . . ?
C17 Ru2 O4 C1 86.6(3) . . . . ?
O2 Ru2 O4 C1 -90.5(3) . . . . ?
N1 Ru2 O4 C1 -174.8(3) . . . . ?
Ru1 Ru2 O4 C1 -7.0(3) . . . . ?
C18 Ru2 N1 C22 -61.2(3) . . . . ?
C17 Ru2 N1 C22 -150.1(3) . . . . ?
O4 Ru2 N1 C22 117.8(3) . . . . ?
O2 Ru2 N1 C22 32.0(3) . . . . ?
Ru1 Ru2 N1 C22 71.5(5) . . . . ?
C15 Ru1 N2 C19 -154.2(4) . . . . ?
C16 Ru1 N2 C19 115.2(4) . . . . ?
O3 Ru1 N2 C19 -58.9(3) . . . . ?
O1 Ru1 N2 C19 27.0(3) . . . . ?
Ru2 Ru1 N2 C19 -27.5(6) . . . . ?
Ru1 O3 C1 O4 10.6(5) . . . . ?
Ru1 O3 C1 C2 -169.1(2) . . . . ?
Ru2 O4 C1 O3 -0.1(5) . . . . ?
Ru2 O4 C1 C2 179.7(2) . . . . ?
O3 C1 C2 C3 -174.2(3) . . . . ?
O4 C1 C2 C3 6.0(5) . . . . ?
O3 C1 C2 C7 7.6(5) . . . . ?
O4 C1 C2 C7 -172.1(4) . . . . ?
C7 C2 C3 C4 0.3(6) . . . . ?
C1 C2 C3 C4 -177.8(4) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C3 C4 C5 C6 -0.8(7) . . . . ?
C4 C5 C6 C7 1.0(7) . . . . ?
C3 C2 C7 C6 -0.2(6) . . . . ?
C1 C2 C7 C6 178.0(4) . . . . ?
C5 C6 C7 C2 -0.5(7) . . . . ?
Ru1 O1 C8 O2 8.4(5) . . . . ?
Ru1 O1 C8 C9 -171.7(2) . . . . ?
Ru2 O2 C8 O1 2.1(5) . . . . ?
Ru2 O2 C8 C9 -177.8(2) . . . . ?
O1 C8 C9 C10 -172.8(4) . . . . ?
O2 C8 C9 C10 7.1(6) . . . . ?
O1 C8 C9 C14 7.3(5) . . . . ?
O2 C8 C9 C14 -172.8(4) . . . . ?
C14 C9 C10 C11 -0.9(7) . . . . ?
C8 C9 C10 C11 179.2(4) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C10 C11 C12 C13 0.6(8) . . . . ?
C11 C12 C13 C14 -0.1(8) . . . . ?
C12 C13 C14 C9 -0.9(7) . . . . ?
C10 C9 C14 C13 1.4(6) . . . . ?
C8 C9 C14 C13 -178.7(4) . . . . ?
C16 Ru1 C15 O5 -11(12) . . . . ?
O3 Ru1 C15 O5 166(12) . . . . ?
O1 Ru1 C15 O5 26(16) . . . . ?
N2 Ru1 C15 O5 -111(12) . . . . ?
Ru2 Ru1 C15 O5 82(12) . . . . ?
C15 Ru1 C16 O6 145(6) . . . . ?
O3 Ru1 C16 O6 -9(7) . . . . ?
O1 Ru1 C16 O6 -34(6) . . . . ?
N2 Ru1 C16 O6 -120(6) . . . . ?
Ru2 Ru1 C16 O6 51(6) . . . . ?
C18 Ru2 C17 O7 75(16) . . . . ?
O4 Ru2 C17 O7 -104(16) . . . . ?
O2 Ru2 C17 O7 -47(18) . . . . ?
N1 Ru2 C17 O7 171(100) . . . . ?
Ru1 Ru2 C17 O7 -20(16) . . . . ?
C17 Ru2 C18 O8 -8(19) . . . . ?
O4 Ru2 C18 O8 107(19) . . . . ?
O2 Ru2 C18 O8 169(100) . . . . ?
N1 Ru2 C18 O8 -106(19) . . . . ?
Ru1 Ru2 C18 O8 86(19) . . . . ?
Ru1 N2 C19 C20 -173.0(3) . . . . ?
C21 O9 C20 O10 1.6(7) . . . . ?
C21 O9 C20 C19 -179.2(4) . . . . ?
N2 C19 C20 O10 6.3(7) . . . . ?
N2 C19 C20 O9 -172.9(4) . . . . ?
Ru2 N1 C22 C23 169.1(3) . . . . ?
C24 O11 C23 O12 3.5(8) . . . . ?
C24 O11 C23 C22 178.9(5) . . . . ?
N1 C22 C23 O12 -5.6(8) . . . . ?
N1 C22 C23 O11 179.1(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         0.535
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.073
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 980019'
_audit_update_record             
;
2016-01-05 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H28 N2 O12 Ru2'
_chemical_formula_weight         762.64

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           monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   11.6661(3)
_cell_length_b                   15.7555(5)
_cell_length_c                   19.8021(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 125.572(2)
_cell_angle_gamma                90.00
_cell_volume                     2960.50(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4046
_cell_measurement_theta_min      4.01
_cell_measurement_theta_max      27.90

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1528
_exptl_absorpt_coefficient_mu    1.084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8719
_exptl_absorpt_correction_T_max  0.9087
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13600
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.32
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5810
_reflns_number_gt                4363
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0691P)²+9.0237P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5810
_refine_ls_number_parameters     367
_refine_ls_number_restraints     43
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0558
_refine_ls_wR_factor_ref         0.1583
_refine_ls_wR_factor_gt          0.1384
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.001
_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 0.83306(5) 0.71853(3) 0.74044(3) 0.04239(17) Uani 1 1 d . . .
Ru2 Ru 0.62035(6) 0.75185(4) 0.75216(3) 0.04722(19) Uani 1 1 d . . .
O1 O 0.7630(6) 0.7084(4) 0.8764(3) 0.0656(14) Uani 1 1 d . . .
O2 O 0.9358(5) 0.6748(3) 0.8638(3) 0.0611(13) Uani 1 1 d . . .
O3 O 0.9058(5) 0.8394(3) 0.7957(3) 0.0531(11) Uani 1 1 d . . .
O4 O 0.7227(5) 0.8708(3) 0.7989(3) 0.0566(12) Uani 1 1 d . . .
O8 O 0.4240(7) 0.8094(5) 0.5760(4) 0.097(2) Uani 1 1 d . . .
O7 O 0.4981(6) 0.5792(4) 0.6987(4) 0.0845(18) Uani 1 1 d . . .
O5 O 0.7295(6) 0.5459(3) 0.6709(3) 0.0665(14) Uani 1 1 d . . .
O6 O 0.6761(8) 0.7789(5) 0.5652(4) 0.101(2) Uani 1 1 d . . .
O11 O 0.5020(6) 0.8865(5) 0.9617(4) 0.0853(18) Uani 1 1 d . . .
O9 O 1.3404(9) 0.5624(7) 0.8809(6) 0.155(4) Uani 1 1 d . . .
O10 O 1.3004(9) 0.6550(5) 0.7859(6) 0.124(3) Uani 1 1 d . . .
N2 N 0.4855(8) 0.7959(5) 0.7933(5) 0.085(2) Uani 1 1 d . . .
H2A H 0.4187 0.8302 0.7531 0.102 Uiso 1 1 calc R . .
H2B H 0.4409 0.7498 0.7943 0.102 Uiso 1 1 calc R . .
N1 N 1.0512(6) 0.7073(4) 0.7690(5) 0.0694(18) Uani 1 1 d . . .
H1A H 1.0410 0.7012 0.7206 0.083 Uiso 1 1 calc R . .
H1B H 1.0967 0.7567 0.7916 0.083 Uiso 1 1 calc R . .
C1 C 0.8411(6) 0.8865(4) 0.8139(4) 0.0443(14) Uani 1 1 d . . .
C2 C 0.9106(6) 0.9682(4) 0.8579(4) 0.0436(14) Uani 1 1 d . . .
C3 C 0.8465(7) 1.0227(4) 0.8809(4) 0.0487(16) Uani 1 1 d . . .
H3A H 0.7580 1.0091 0.8676 0.058 Uiso 1 1 calc R . .
C4 C 0.9114(7) 1.0977(4) 0.9237(4) 0.0541(17) Uani 1 1 d . . .
C5 C 1.0441(8) 1.1152(5) 0.9444(5) 0.0604(19) Uani 1 1 d . . .
H5A H 1.0897 1.1646 0.9735 0.073 Uiso 1 1 calc R . .
C6 C 1.1100(8) 1.0612(5) 0.9228(5) 0.066(2) Uani 1 1 d . . .
H6A H 1.1999 1.0739 0.9378 0.079 Uiso 1 1 calc R . .
C7 C 1.0436(7) 0.9881(5) 0.8790(4) 0.0567(18) Uani 1 1 d . . .
H7A H 1.0879 0.9521 0.8637 0.068 Uiso 1 1 calc R . .
C8 C 0.8385(9) 1.1575(5) 0.9467(6) 0.078(3) Uani 1 1 d . . .
H8A H 0.8983 1.2054 0.9759 0.117 Uiso 1 1 calc R . .
H8B H 0.8190 1.1286 0.9816 0.117 Uiso 1 1 calc R . .
H8C H 0.7517 1.1766 0.8972 0.117 Uiso 1 1 calc R . .
C9 C 0.8818(9) 0.6774(5) 0.9032(4) 0.0591(19) Uani 1 1 d . . .
C18 C 0.7386(9) 0.7569(5) 0.6333(5) 0.0591(19) Uani 1 1 d . . .
C20 C 0.4994(8) 0.7884(5) 0.6440(6) 0.0617(19) Uani 1 1 d . . .
C19 C 0.5423(7) 0.6458(5) 0.7181(5) 0.0591(18) Uani 1 1 d . . .
C17 C 0.7689(7) 0.6128(4) 0.6975(4) 0.0456(15) Uani 1 1 d . . .
C24 C 0.5425(10) 0.8373(7) 0.8670(6) 0.092(3) Uani 1 1 d . . .
H24A H 0.5791 0.8915 0.8642 0.111 Uiso 1 1 calc R . .
H24B H 0.6215 0.8043 0.9107 0.111 Uiso 1 1 calc R . .
O12 O 0.3176(7) 0.8360(5) 0.8458(4) 0.091(2) Uani 1 1 d . . .
C26 C 0.4167(9) 0.8977(7) 0.9922(5) 0.083(3) Uani 1 1 d . . .
H26A H 0.4722 0.9236 1.0461 0.124 Uiso 1 1 calc R . .
H26B H 0.3833 0.8435 0.9959 0.124 Uiso 1 1 calc R . .
H26C H 0.3378 0.9336 0.9547 0.124 Uiso 1 1 calc R . .
C21 C 1.1368(12) 0.6422(8) 0.8213(9) 0.126(5) Uani 1 1 d . . .
H21A H 1.0810 0.5906 0.8032 0.151 Uiso 1 1 calc R . .
H21B H 1.1632 0.6550 0.8766 0.151 Uiso 1 1 calc R . .
C22 C 1.2702(10) 0.6236(7) 0.8280(8) 0.093(3) Uani 1 1 d . . .
C23 C 1.4644(14) 0.5339(11) 0.8893(10) 0.194(8) Uani 1 1 d . . .
H23A H 1.5079 0.4894 0.9299 0.291 Uiso 1 1 calc R . .
H23B H 1.5292 0.5804 0.9069 0.291 Uiso 1 1 calc R . .
H23C H 1.4396 0.5129 0.8369 0.291 Uiso 1 1 calc R . .
C25 C 0.4400(9) 0.8532(5) 0.8906(5) 0.0623(19) Uani 1 1 d . . .
C10 C 0.9621(8) 0.6403(4) 0.9869(3) 0.094(3) Uani 1 1 d GU . .
C11 C 1.0948(8) 0.6066(4) 1.0195(4) 0.116(4) Uani 1 1 d GU . .
H11A H 1.1318 0.6085 0.9887 0.139 Uiso 1 1 calc R . .
C12 C 1.1721(8) 0.5701(4) 1.0980(4) 0.151(5) Uani 1 1 d GDU . .
C13 C 1.1168(10) 0.5673(4) 1.1440(3) 0.161(5) Uani 1 1 d GU . .
H13A H 1.1685 0.5428 1.1966 0.193 Uiso 1 1 calc R . .
C14 C 0.9841(10) 0.6009(5) 1.1114(4) 0.146(4) Uani 1 1 d GU . .
H14A H 0.9471 0.5990 1.1422 0.175 Uiso 1 1 calc R . .
C15 C 0.9067(8) 0.6374(4) 1.0329(4) 0.114(3) Uani 1 1 d GU . .
H15A H 0.8179 0.6600 1.0111 0.137 Uiso 1 1 calc R . .
C16 C 1.3078(14) 0.5306(10) 1.1424(10) 0.221(9) Uani 1 1 d DU . .
H16A H 1.3444 0.5332 1.1098 0.332 Uiso 1 1 calc R . .
H16B H 1.2995 0.4724 1.1532 0.332 Uiso 1 1 calc R . .
H16C H 1.3707 0.5597 1.1941 0.332 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 C17 1.822(7) . ?
Ru1 C18 1.833(8) . ?
Ru1 O3 2.113(4) . ?
Ru1 O2 2.114(5) . ?
Ru1 N1 2.270(6) . ?
Ru1 Ru2 2.6754(7) . ?
Ru2 C19 1.833(8) . ?
Ru2 C20 1.843(9) . ?
Ru2 O4 2.123(4) . ?
Ru2 O1 2.128(6) . ?
Ru2 N2 2.261(6) . ?
O1 C9 1.260(10) . ?
O2 C9 1.257(9) . ?
O3 C1 1.252(7) . ?
O4 C1 1.257(7) . ?
O8 C20 1.149(9) . ?
O7 C19 1.134(9) . ?
O5 C17 1.147(8) . ?
O6 C18 1.151(9) . ?
O11 C25 1.263(9) . ?
O11 C26 1.444(9) . ?
O9 C22 1.303(14) . ?
O9 C23 1.428(13) . ?
O10 C22 1.185(13) . ?
N2 C24 1.366(10) . ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
N1 C21 1.386(12) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
C1 C2 1.500(9) . ?
C2 C3 1.379(9) . ?
C2 C7 1.388(9) . ?
C3 C4 1.394(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.379(9) . ?
C4 C8 1.505(10) . ?
C5 C6 1.371(10) . ?
C5 H5A 0.9300 . ?
C6 C7 1.377(10) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.470(8) . ?
C24 C25 1.537(11) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
O12 C25 1.194(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C21 C22 1.511(13) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 C12 1.3900 . ?
C11 H11A 0.9300 . ?
C12 C13 1.3900 . ?
C12 C16 1.431(9) . ?
C13 C14 1.3900 . ?
C13 H13A 0.9300 . ?
C14 C15 1.3900 . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

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
C17 Ru1 C18 87.4(3) . . ?
C17 Ru1 O3 176.7(2) . . ?
C18 Ru1 O3 95.3(3) . . ?
C17 Ru1 O2 92.5(3) . . ?
C18 Ru1 O2 178.1(3) . . ?
O3 Ru1 O2 84.8(2) . . ?
C17 Ru1 N1 98.2(3) . . ?
C18 Ru1 N1 98.4(3) . . ?
O3 Ru1 N1 83.5(2) . . ?
O2 Ru1 N1 83.5(2) . . ?
C17 Ru1 Ru2 94.0(2) . . ?
C18 Ru1 Ru2 94.1(2) . . ?
O3 Ru1 Ru2 83.77(12) . . ?
O2 Ru1 Ru2 83.99(14) . . ?
N1 Ru1 Ru2 162.86(19) . . ?
C19 Ru2 C20 88.7(3) . . ?
C19 Ru2 O4 176.1(3) . . ?
C20 Ru2 O4 95.0(3) . . ?
C19 Ru2 O1 91.1(3) . . ?
C20 Ru2 O1 178.7(3) . . ?
O4 Ru2 O1 85.2(2) . . ?
C19 Ru2 N2 96.4(3) . . ?
C20 Ru2 N2 95.7(3) . . ?
O4 Ru2 N2 84.5(2) . . ?
O1 Ru2 N2 85.5(3) . . ?
C19 Ru2 Ru1 94.4(2) . . ?
C20 Ru2 Ru1 94.7(2) . . ?
O4 Ru2 Ru1 84.03(12) . . ?
O1 Ru2 Ru1 84.06(15) . . ?
N2 Ru2 Ru1 165.1(2) . . ?
C9 O1 Ru2 122.6(4) . . ?
C9 O2 Ru1 123.7(5) . . ?
C1 O3 Ru1 123.7(4) . . ?
C1 O4 Ru2 122.6(4) . . ?
C25 O11 C26 115.4(7) . . ?
C22 O9 C23 116.6(12) . . ?
C24 N2 Ru2 121.5(6) . . ?
C24 N2 H2A 107.0 . . ?
Ru2 N2 H2A 107.0 . . ?
C24 N2 H2B 107.0 . . ?
Ru2 N2 H2B 107.0 . . ?
H2A N2 H2B 106.7 . . ?
C21 N1 Ru1 117.4(6) . . ?
C21 N1 H1A 108.0 . . ?
Ru1 N1 H1A 108.0 . . ?
C21 N1 H1B 108.0 . . ?
Ru1 N1 H1B 108.0 . . ?
H1A N1 H1B 107.2 . . ?
O3 C1 O4 125.4(6) . . ?
O3 C1 C2 117.5(5) . . ?
O4 C1 C2 117.1(6) . . ?
C3 C2 C7 119.0(6) . . ?
C3 C2 C1 120.8(5) . . ?
C7 C2 C1 120.1(6) . . ?
C2 C3 C4 121.5(6) . . ?
C2 C3 H3A 119.2 . . ?
C4 C3 H3A 119.2 . . ?
C5 C4 C3 117.9(6) . . ?
C5 C4 C8 121.3(6) . . ?
C3 C4 C8 120.8(6) . . ?
C6 C5 C4 121.3(7) . . ?
C6 C5 H5A 119.3 . . ?
C4 C5 H5A 119.3 . . ?
C5 C6 C7 120.2(7) . . ?
C5 C6 H6A 119.9 . . ?
C7 C6 H6A 119.9 . . ?
C6 C7 C2 120.0(7) . . ?
C6 C7 H7A 120.0 . . ?
C2 C7 H7A 120.0 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O2 C9 O1 125.3(7) . . ?
O2 C9 C10 117.9(8) . . ?
O1 C9 C10 116.8(7) . . ?
O6 C18 Ru1 177.8(7) . . ?
O8 C20 Ru2 178.5(7) . . ?
O7 C19 Ru2 177.9(8) . . ?
O5 C17 Ru1 179.4(8) . . ?
N2 C24 C25 114.9(8) . . ?
N2 C24 H24A 108.5 . . ?
C25 C24 H24A 108.5 . . ?
N2 C24 H24B 108.5 . . ?
C25 C24 H24B 108.5 . . ?
H24A C24 H24B 107.5 . . ?
O11 C26 H26A 109.5 . . ?
O11 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O11 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N1 C21 C22 117.8(10) . . ?
N1 C21 H21A 107.9 . . ?
C22 C21 H21A 107.9 . . ?
N1 C21 H21B 107.9 . . ?
C22 C21 H21B 107.9 . . ?
H21A C21 H21B 107.2 . . ?
O10 C22 O9 124.6(10) . . ?
O10 C22 C21 124.7(12) . . ?
O9 C22 C21 110.3(12) . . ?
O9 C23 H23A 109.5 . . ?
O9 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O9 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O12 C25 O11 125.7(7) . . ?
O12 C25 C24 122.9(8) . . ?
O11 C25 C24 111.4(7) . . ?
C11 C10 C15 120.0 . . ?
C11 C10 C9 118.8(6) . . ?
C15 C10 C9 121.2(6) . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 C16 129.3(10) . . ?
C13 C12 C16 110.7(10) . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C14 C15 C10 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C10 C15 H15A 120.0 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

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
C17 Ru1 Ru2 C19 4.3(3) . . . . ?
C18 Ru1 Ru2 C19 91.9(3) . . . . ?
O3 Ru1 Ru2 C19 -173.2(3) . . . . ?
O2 Ru1 Ru2 C19 -87.8(3) . . . . ?
N1 Ru1 Ru2 C19 -131.0(6) . . . . ?
C17 Ru1 Ru2 C20 -84.7(3) . . . . ?
C18 Ru1 Ru2 C20 2.9(3) . . . . ?
O3 Ru1 Ru2 C20 97.8(3) . . . . ?
O2 Ru1 Ru2 C20 -176.9(3) . . . . ?
N1 Ru1 Ru2 C20 140.0(6) . . . . ?
C17 Ru1 Ru2 O4 -179.3(2) . . . . ?
C18 Ru1 Ru2 O4 -91.6(3) . . . . ?
O3 Ru1 Ru2 O4 3.26(19) . . . . ?
O2 Ru1 Ru2 O4 88.6(2) . . . . ?
N1 Ru1 Ru2 O4 45.4(6) . . . . ?
C17 Ru1 Ru2 O1 95.0(2) . . . . ?
C18 Ru1 Ru2 O1 -177.4(3) . . . . ?
O3 Ru1 Ru2 O1 -82.5(2) . . . . ?
O2 Ru1 Ru2 O1 2.8(2) . . . . ?
N1 Ru1 Ru2 O1 -40.3(6) . . . . ?
C17 Ru1 Ru2 N2 140.7(9) . . . . ?
C18 Ru1 Ru2 N2 -131.6(9) . . . . ?
O3 Ru1 Ru2 N2 -36.7(9) . . . . ?
O2 Ru1 Ru2 N2 48.6(9) . . . . ?
N1 Ru1 Ru2 N2 5.4(10) . . . . ?
C19 Ru2 O1 C9 88.6(6) . . . . ?
C20 Ru2 O1 C9 9(13) . . . . ?
O4 Ru2 O1 C9 -90.2(6) . . . . ?
N2 Ru2 O1 C9 -175.0(6) . . . . ?
Ru1 Ru2 O1 C9 -5.7(5) . . . . ?
C17 Ru1 O2 C9 -95.3(6) . . . . ?
C18 Ru1 O2 C9 -9(9) . . . . ?
O3 Ru1 O2 C9 82.7(6) . . . . ?
N1 Ru1 O2 C9 166.8(6) . . . . ?
Ru2 Ru1 O2 C9 -1.5(5) . . . . ?
C17 Ru1 O3 C1 -50(4) . . . . ?
C18 Ru1 O3 C1 92.0(6) . . . . ?
O2 Ru1 O3 C1 -86.1(5) . . . . ?
N1 Ru1 O3 C1 -170.1(6) . . . . ?
Ru2 Ru1 O3 C1 -1.6(5) . . . . ?
C19 Ru2 O4 C1 60(4) . . . . ?
C20 Ru2 O4 C1 -100.9(6) . . . . ?
O1 Ru2 O4 C1 77.8(5) . . . . ?
N2 Ru2 O4 C1 163.7(6) . . . . ?
Ru1 Ru2 O4 C1 -6.7(5) . . . . ?
C19 Ru2 N2 C24 134.9(8) . . . . ?
C20 Ru2 N2 C24 -135.7(9) . . . . ?
O4 Ru2 N2 C24 -41.3(8) . . . . ?
O1 Ru2 N2 C24 44.3(8) . . . . ?
Ru1 Ru2 N2 C24 -1.3(15) . . . . ?
C17 Ru1 N1 C21 -57.5(9) . . . . ?
C18 Ru1 N1 C21 -146.0(9) . . . . ?
O3 Ru1 N1 C21 119.6(8) . . . . ?
O2 Ru1 N1 C21 34.1(8) . . . . ?
Ru2 Ru1 N1 C21 77.3(11) . . . . ?
Ru1 O3 C1 O4 -3.3(10) . . . . ?
Ru1 O3 C1 C2 176.1(4) . . . . ?
Ru2 O4 C1 O3 7.9(10) . . . . ?
Ru2 O4 C1 C2 -171.5(4) . . . . ?
O3 C1 C2 C3 -179.1(6) . . . . ?
O4 C1 C2 C3 0.4(9) . . . . ?
O3 C1 C2 C7 -1.8(9) . . . . ?
O4 C1 C2 C7 177.7(6) . . . . ?
C7 C2 C3 C4 1.0(11) . . . . ?
C1 C2 C3 C4 178.3(6) . . . . ?
C2 C3 C4 C5 -1.5(11) . . . . ?
C2 C3 C4 C8 178.6(7) . . . . ?
C3 C4 C5 C6 0.7(12) . . . . ?
C8 C4 C5 C6 -179.4(8) . . . . ?
C4 C5 C6 C7 0.6(13) . . . . ?
C5 C6 C7 C2 -1.2(12) . . . . ?
C3 C2 C7 C6 0.4(11) . . . . ?
C1 C2 C7 C6 -177.0(7) . . . . ?
Ru1 O2 C9 O1 -2.5(10) . . . . ?
Ru1 O2 C9 C10 176.6(4) . . . . ?
Ru2 O1 C9 O2 6.5(10) . . . . ?
Ru2 O1 C9 C10 -172.6(4) . . . . ?
C17 Ru1 C18 O6 30(21) . . . . ?
O3 Ru1 C18 O6 -148(21) . . . . ?
O2 Ru1 C18 O6 -57(25) . . . . ?
N1 Ru1 C18 O6 128(21) . . . . ?
Ru2 Ru1 C18 O6 -64(21) . . . . ?
C19 Ru2 C20 O8 -29(28) . . . . ?
O4 Ru2 C20 O8 150(28) . . . . ?
O1 Ru2 C20 O8 51(35) . . . . ?
N2 Ru2 C20 O8 -125(28) . . . . ?
Ru1 Ru2 C20 O8 65(28) . . . . ?
C20 Ru2 C19 O7 140(19) . . . . ?
O4 Ru2 C19 O7 -21(22) . . . . ?
O1 Ru2 C19 O7 -39(19) . . . . ?
N2 Ru2 C19 O7 -124(19) . . . . ?
Ru1 Ru2 C19 O7 45(19) . . . . ?
C18 Ru1 C17 O5 134(67) . . . . ?
O3 Ru1 C17 O5 -84(68) . . . . ?
O2 Ru1 C17 O5 -48(67) . . . . ?
N1 Ru1 C17 O5 36(67) . . . . ?
Ru2 Ru1 C17 O5 -132(67) . . . . ?
Ru2 N2 C24 C25 -172.9(6) . . . . ?
Ru1 N1 C21 C22 168.7(8) . . . . ?
C23 O9 C22 O10 2(2) . . . . ?
C23 O9 C22 C21 175.8(12) . . . . ?
N1 C21 C22 O10 -8(2) . . . . ?
N1 C21 C22 O9 178.4(11) . . . . ?
C26 O11 C25 O12 5.1(14) . . . . ?
C26 O11 C25 C24 -175.3(8) . . . . ?
N2 C24 C25 O12 -4.8(15) . . . . ?
N2 C24 C25 O11 175.6(9) . . . . ?
O2 C9 C10 C11 1.9(8) . . . . ?
O1 C9 C10 C11 -178.9(5) . . . . ?
O2 C9 C10 C15 -177.2(5) . . . . ?
O1 C9 C10 C15 2.0(8) . . . . ?
C15 C10 C11 C12 0.0 . . . . ?
C9 C10 C11 C12 -179.1(6) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C10 C11 C12 C16 178.6(11) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C16 C12 C13 C14 -178.9(9) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C11 C10 C15 C14 0.0 . . . . ?
C9 C10 C15 C14 179.1(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.849
_refine_diff_density_min         -1.233
_refine_diff_density_rms         0.114
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 981493'
_audit_update_record             
;
2016-01-05 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H28 N2 O14 Ru2'
_chemical_formula_weight         794.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   9.9506(4)
_cell_length_b                   12.5452(5)
_cell_length_c                   13.6980(7)
_cell_angle_alpha                96.569(4)
_cell_angle_beta                 97.327(4)
_cell_angle_gamma                104.426(4)
_cell_volume                     1623.39(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5655
_cell_measurement_theta_min      4.54
_cell_measurement_theta_max      72.38

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             796
_exptl_absorpt_coefficient_mu    8.126
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3958
_exptl_absorpt_correction_T_max  0.4685
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12836
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.29
_diffrn_reflns_theta_max         67.49
_reflns_number_total             5825
_reflns_number_gt                4782
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0627P)²+1.0145P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5825
_refine_ls_number_parameters     401
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1115
_refine_ls_wR_factor_gt          0.1019
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_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 0.20442(3) 0.79321(3) 0.83903(2) 0.04364(12) Uani 1 1 d . . .
Ru2 Ru 0.28707(3) 0.67073(3) 0.69685(2) 0.04307(12) Uani 1 1 d . . .
O8 O 0.4112(3) 0.8980(3) 0.8469(2) 0.0517(8) Uani 1 1 d . . .
O6 O 0.2748(4) 0.8071(3) 0.6208(2) 0.0564(8) Uani 1 1 d . . .
O9 O 0.4909(3) 0.7742(3) 0.7567(3) 0.0535(8) Uani 1 1 d . . .
C13 C 0.5040(4) 0.8686(4) 0.8046(3) 0.0448(10) Uani 1 1 d . . .
N2 N 0.4007(4) 0.6312(3) 0.5714(3) 0.0494(9) Uani 1 1 d . . .
H2A H 0.4908 0.6720 0.5874 0.059 Uiso 1 1 calc R . .
H2B H 0.4008 0.5591 0.5673 0.059 Uiso 1 1 calc R . .
C5 C 0.2171(4) 0.8820(4) 0.6476(3) 0.0450(10) Uani 1 1 d . . .
O11 O 0.1227(4) 1.1483(3) 1.0108(3) 0.0669(9) Uani 1 1 d . . .
O13 O 0.5125(5) 0.5764(4) 0.3963(3) 0.0830(13) Uani 1 1 d . . .
N1 N 0.1702(4) 0.9420(3) 0.9336(3) 0.0521(9) Uani 1 1 d . . .
H1A H 0.0804 0.9436 0.9168 0.063 Uiso 1 1 calc R . .
H1B H 0.1821 0.9319 0.9978 0.063 Uiso 1 1 calc R . .
O10 O 1.0090(4) 1.1818(4) 0.7835(4) 0.0851(13) Uani 1 1 d . . .
C19 C 0.7578(5) 0.9219(4) 0.7854(3) 0.0515(11) Uani 1 1 d . . .
H19 H 0.7537 0.8465 0.7737 0.062 Uiso 1 1 calc R . .
C6 C 0.2276(5) 0.9759(4) 0.5895(3) 0.0475(10) Uani 1 1 d . . .
O12 O 0.3335(4) 1.2380(3) 0.9807(3) 0.0843(13) Uani 1 1 d . . .
C24 C 0.3447(6) 0.6504(5) 0.4721(4) 0.0620(13) Uani 1 1 d . . .
H24A H 0.3416 0.7274 0.4764 0.074 Uiso 1 1 calc R . .
H24B H 0.2489 0.6040 0.4531 0.074 Uiso 1 1 calc R . .
O7 O 0.2768(4) 1.2385(3) 0.4279(3) 0.0700(10) Uani 1 1 d . . .
C22 C 0.2273(5) 1.1483(4) 0.9773(4) 0.0558(12) Uani 1 1 d . . .
C16 C 0.7706(6) 1.1449(4) 0.8194(5) 0.0699(15) Uani 1 1 d . . .
H16 H 0.7755 1.2203 0.8320 0.084 Uiso 1 1 calc R . .
C14 C 0.6396(4) 0.9539(4) 0.8082(3) 0.0461(10) Uani 1 1 d . . .
C9 C 0.2550(5) 1.1541(4) 0.4832(4) 0.0546(11) Uani 1 1 d . . .
C17 C 0.8854(5) 1.1107(5) 0.7942(4) 0.0610(13) Uani 1 1 d . . .
C15 C 0.6485(5) 1.0656(4) 0.8258(4) 0.0592(12) Uani 1 1 d . . .
H15 H 0.5712 1.0884 0.8422 0.071 Uiso 1 1 calc R . .
C11 C 0.3130(5) 0.9877(4) 0.5163(4) 0.0582(12) Uani 1 1 d . . .
H11 H 0.3609 0.9344 0.5019 0.070 Uiso 1 1 calc R . .
C7 C 0.1577(6) 1.0550(5) 0.6066(4) 0.0682(15) Uani 1 1 d . . .
H7 H 0.1006 1.0496 0.6555 0.082 Uiso 1 1 calc R . .
C18 C 0.8795(5) 0.9989(4) 0.7801(4) 0.0588(12) Uani 1 1 d . . .
H18 H 0.9583 0.9761 0.7670 0.071 Uiso 1 1 calc R . .
C8 C 0.1693(7) 1.1423(5) 0.5538(5) 0.0745(17) Uani 1 1 d . . .
H8 H 0.1184 1.1940 0.5662 0.089 Uiso 1 1 calc R . .
C21 C 0.2613(5) 1.0495(4) 0.9255(4) 0.0609(13) Uani 1 1 d . . .
H21A H 0.2578 1.0563 0.8554 0.073 Uiso 1 1 calc R . .
H21B H 0.3571 1.0512 0.9519 0.073 Uiso 1 1 calc R . .
C10 C 0.3277(6) 1.0755(5) 0.4655(4) 0.0635(14) Uani 1 1 d . . .
H10 H 0.3875 1.0828 0.4182 0.076 Uiso 1 1 calc R . .
O14 O 0.3942(7) 0.6749(6) 0.3154(4) 0.149(3) Uani 1 1 d . . .
C25 C 0.4269(7) 0.6269(5) 0.3924(4) 0.0687(15) Uani 1 1 d . . .
O5 O 0.1554(3) 0.8836(3) 0.7228(2) 0.0509(7) Uani 1 1 d . . .
C26 C 0.4687(15) 0.6593(13) 0.2314(7) 0.233(9) Uani 1 1 d . . .
H26A H 0.5668 0.6705 0.2559 0.349 Uiso 1 1 calc R . .
H26B H 0.4579 0.7121 0.1875 0.349 Uiso 1 1 calc R . .
H26C H 0.4303 0.5851 0.1958 0.349 Uiso 1 1 calc R . .
O3 O 0.0009(4) 0.5230(4) 0.6166(4) 0.0882(13) Uani 1 1 d . . .
O4 O 0.3233(5) 0.4948(3) 0.8182(3) 0.0827(12) Uani 1 1 d . . .
O1 O -0.0816(4) 0.6379(4) 0.8159(4) 0.1027(17) Uani 1 1 d . . .
C4 C 0.3095(5) 0.5620(4) 0.7714(4) 0.0566(12) Uani 1 1 d . . .
O2 O 0.2923(6) 0.6688(4) 0.9965(3) 0.1074(17) Uani 1 1 d . . .
C1 C 0.0260(6) 0.6992(5) 0.8246(4) 0.0628(13) Uani 1 1 d . . .
C3 C 0.1094(5) 0.5813(4) 0.6465(4) 0.0571(12) Uani 1 1 d . . .
C2 C 0.2600(6) 0.7172(5) 0.9377(4) 0.0663(14) Uani 1 1 d . . .
C12 C 0.1916(7) 1.3140(5) 0.4348(5) 0.0866(19) Uani 1 1 d . . .
H12A H 0.0944 1.2729 0.4249 0.130 Uiso 1 1 calc R . .
H12B H 0.2065 1.3614 0.3847 0.130 Uiso 1 1 calc R . .
H12C H 0.2165 1.3587 0.4995 0.130 Uiso 1 1 calc R . .
C20 C 1.0164(9) 1.2960(7) 0.7911(9) 0.152(4) Uani 1 1 d . . .
H20A H 0.9446 1.3069 0.7425 0.228 Uiso 1 1 calc R . .
H20B H 1.1071 1.3361 0.7795 0.228 Uiso 1 1 calc R . .
H20C H 1.0027 1.3228 0.8566 0.228 Uiso 1 1 calc R . .
C23 C 0.3210(8) 1.3422(5) 1.0300(6) 0.102(2) Uani 1 1 d . . .
H23A H 0.2342 1.3553 1.0019 0.153 Uiso 1 1 calc R . .
H23B H 0.3984 1.4016 1.0213 0.153 Uiso 1 1 calc R . .
H23C H 0.3220 1.3389 1.0998 0.153 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 C1 1.843(5) . ?
Ru1 C2 1.846(6) . ?
Ru1 O8 2.130(3) . ?
Ru1 O5 2.133(3) . ?
Ru1 N1 2.271(4) . ?
Ru1 Ru2 2.6803(5) . ?
Ru2 C4 1.835(5) . ?
Ru2 C3 1.840(5) . ?
Ru2 O9 2.119(3) . ?
Ru2 O6 2.122(3) . ?
Ru2 N2 2.249(4) . ?
O8 C13 1.257(5) . ?
O6 C5 1.262(5) . ?
O9 C13 1.255(5) . ?
C13 C14 1.491(6) . ?
N2 C24 1.472(6) . ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
C5 O5 1.264(5) . ?
C5 C6 1.486(6) . ?
O11 C22 1.189(6) . ?
O13 C25 1.181(6) . ?
N1 C21 1.451(6) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
O10 C17 1.363(6) . ?
O10 C20 1.406(9) . ?
C19 C18 1.365(6) . ?
C19 C14 1.394(6) . ?
C19 H19 0.9300 . ?
C6 C7 1.363(6) . ?
C6 C11 1.392(6) . ?
O12 C22 1.331(6) . ?
O12 C23 1.442(7) . ?
C24 C25 1.491(7) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
O7 C9 1.361(6) . ?
O7 C12 1.423(7) . ?
C22 C21 1.491(7) . ?
C16 C15 1.384(7) . ?
C16 C17 1.386(7) . ?
C16 H16 0.9300 . ?
C14 C15 1.372(7) . ?
C9 C8 1.366(7) . ?
C9 C10 1.379(7) . ?
C17 C18 1.378(7) . ?
C15 H15 0.9300 . ?
C11 C10 1.357(7) . ?
C11 H11 0.9300 . ?
C7 C8 1.369(7) . ?
C7 H7 0.9300 . ?
C18 H18 0.9300 . ?
C8 H8 0.9300 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C10 H10 0.9300 . ?
O14 C25 1.317(7) . ?
O14 C26 1.466(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
O3 C3 1.137(6) . ?
O4 C4 1.140(6) . ?
O1 C1 1.135(6) . ?
O2 C2 1.125(7) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
C1 Ru1 C2 88.4(3) . . ?
C1 Ru1 O8 176.60(17) . . ?
C2 Ru1 O8 93.2(2) . . ?
C1 Ru1 O5 95.3(2) . . ?
C2 Ru1 O5 175.85(19) . . ?
O8 Ru1 O5 83.10(13) . . ?
C1 Ru1 N1 98.58(19) . . ?
C2 Ru1 N1 100.1(2) . . ?
O8 Ru1 N1 84.14(12) . . ?
O5 Ru1 N1 81.38(13) . . ?
C1 Ru1 Ru2 94.87(16) . . ?
C2 Ru1 Ru2 93.30(17) . . ?
O8 Ru1 Ru2 82.02(8) . . ?
O5 Ru1 Ru2 84.40(8) . . ?
N1 Ru1 Ru2 161.22(10) . . ?
C4 Ru2 C3 87.2(2) . . ?
C4 Ru2 O9 92.59(18) . . ?
C3 Ru2 O9 179.21(18) . . ?
C4 Ru2 O6 174.77(19) . . ?
C3 Ru2 O6 97.50(19) . . ?
O9 Ru2 O6 82.70(14) . . ?
C4 Ru2 N2 100.09(19) . . ?
C3 Ru2 N2 99.85(19) . . ?
O9 Ru2 N2 80.92(13) . . ?
O6 Ru2 N2 81.49(13) . . ?
C4 Ru2 Ru1 95.59(17) . . ?
C3 Ru2 Ru1 94.97(15) . . ?
O9 Ru2 Ru1 84.31(8) . . ?
O6 Ru2 Ru1 81.71(8) . . ?
N2 Ru2 Ru1 158.86(10) . . ?
C13 O8 Ru1 123.3(3) . . ?
C5 O6 Ru2 125.0(3) . . ?
C13 O9 Ru2 119.5(3) . . ?
O9 C13 O8 125.6(4) . . ?
O9 C13 C14 116.7(4) . . ?
O8 C13 C14 117.6(4) . . ?
C24 N2 Ru2 116.9(3) . . ?
C24 N2 H2A 108.1 . . ?
Ru2 N2 H2A 108.1 . . ?
C24 N2 H2B 108.1 . . ?
Ru2 N2 H2B 108.1 . . ?
H2A N2 H2B 107.3 . . ?
O6 C5 O5 123.9(4) . . ?
O6 C5 C6 117.7(4) . . ?
O5 C5 C6 118.4(4) . . ?
C21 N1 Ru1 115.6(3) . . ?
C21 N1 H1A 108.4 . . ?
Ru1 N1 H1A 108.4 . . ?
C21 N1 H1B 108.4 . . ?
Ru1 N1 H1B 108.4 . . ?
H1A N1 H1B 107.4 . . ?
C17 O10 C20 117.9(5) . . ?
C18 C19 C14 121.2(5) . . ?
C18 C19 H19 119.4 . . ?
C14 C19 H19 119.4 . . ?
C7 C6 C11 117.3(4) . . ?
C7 C6 C5 122.0(4) . . ?
C11 C6 C5 120.7(4) . . ?
C22 O12 C23 117.2(4) . . ?
N2 C24 C25 114.7(4) . . ?
N2 C24 H24A 108.6 . . ?
C25 C24 H24A 108.6 . . ?
N2 C24 H24B 108.6 . . ?
C25 C24 H24B 108.6 . . ?
H24A C24 H24B 107.6 . . ?
C9 O7 C12 117.9(4) . . ?
O11 C22 O12 124.7(5) . . ?
O11 C22 C21 126.2(5) . . ?
O12 C22 C21 109.0(4) . . ?
C15 C16 C17 119.3(5) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C15 C14 C19 118.3(4) . . ?
C15 C14 C13 121.1(4) . . ?
C19 C14 C13 120.4(4) . . ?
O7 C9 C8 125.5(5) . . ?
O7 C9 C10 115.9(4) . . ?
C8 C9 C10 118.5(5) . . ?
O10 C17 C18 116.1(5) . . ?
O10 C17 C16 123.9(5) . . ?
C18 C17 C16 120.0(4) . . ?
C14 C15 C16 121.2(5) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C10 C11 C6 121.2(5) . . ?
C10 C11 H11 119.4 . . ?
C6 C11 H11 119.4 . . ?
C6 C7 C8 121.8(5) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C19 C18 C17 119.9(5) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C9 C8 C7 120.5(5) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
N1 C21 C22 115.7(4) . . ?
N1 C21 H21A 108.4 . . ?
C22 C21 H21A 108.4 . . ?
N1 C21 H21B 108.4 . . ?
C22 C21 H21B 108.4 . . ?
H21A C21 H21B 107.4 . . ?
C11 C10 C9 120.7(4) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C25 O14 C26 115.6(5) . . ?
O13 C25 O14 123.4(5) . . ?
O13 C25 C24 126.7(5) . . ?
O14 C25 C24 109.8(5) . . ?
C5 O5 Ru1 119.6(3) . . ?
O14 C26 H26A 109.5 . . ?
O14 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O14 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O4 C4 Ru2 179.6(5) . . ?
O1 C1 Ru1 177.3(6) . . ?
O3 C3 Ru2 177.6(5) . . ?
O2 C2 Ru1 178.5(6) . . ?
O7 C12 H12A 109.5 . . ?
O7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O10 C20 H20A 109.5 . . ?
O10 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O12 C23 H23A 109.5 . . ?
O12 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O12 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        67.49
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.500
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.101
