# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2002

data_csdw7 

_database_code_CSD	190870



_journal_coden_Cambridge      440


loop_
_publ_author_name
'C. Sinha'
'Prithwiraj Byabartta'
'B.K. Ghosh'
'Sk. Jasimuddin'
'A. Slawin'
'J. D. Woolins'

_publ_contact_author_name     	'Dr C Sinha'  
_publ_contact_author_address 
;
Department of Chemistry
Overseas
University of Burdwan
713104
INDIA
;

_publ_contact_author_email       'C_R_SINHA@YAHOO.COM'

_publ_requested_journal       'New Journal of Chemistry'


_publ_section_title		
;
Nitro-ruthenium(II)-arylazoimidazoles: synthesis,
spectra, crystal structure and electrochemistry of
dinitro-bis-{1-alkyl-2-(arylazo)imidazole}ruthenium(II). Nitro-nitroso
derivatives and reactivity of electrophilic {Ru-NO}6 system.
;

_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          'C32 H28 N10 O4 Ru.2[H2 O]' 
_chemical_formula_structural      'C32 H32 N10 O6 Ru' 
_chemical_formula_analytical      'C32 H32 N10 O6 Ru' 
_chemical_formula_sum             'C32 H32 N10 O6 Ru' 
_chemical_formula_weight          753.75 
_chemical_melting_point           ? 
_chemical_compound_source         ? 

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    C2/c 

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

_cell_length_a                    11.6652(8) 
_cell_length_b                    18.8842(12) 
_cell_length_c                    16.8100(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  101.2610(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      3631.7(4) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     24 
_cell_measurement_theta_min       12 
_cell_measurement_theta_max       168 

_exptl_crystal_description        plate 
_exptl_crystal_colour             'dark blue' 
_exptl_crystal_size_max           .1 
_exptl_crystal_size_mid           .1 
_exptl_crystal_size_min           .04 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.379 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1544 
_exptl_absorpt_coefficient_mu     0.487 
_exptl_absorpt_correction_type    sadabs 
_exptl_absorpt_correction_T_min   0.397750 
_exptl_absorpt_correction_T_max   0.693215 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(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        SMART 
_diffrn_measurement_method        CCD 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             7867 
_diffrn_reflns_av_R_equivalents   0.0587 
_diffrn_reflns_av_sigmaI/netI     0.0642 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        17 
_diffrn_reflns_theta_min          2.08 
_diffrn_reflns_theta_max          23.30 
_reflns_number_total              2620 
_reflns_number_observed           1716 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        SMART 
_computing_cell_refinement        SMART/SAINT 
_computing_data_reduction         SAINT 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     SHELXTL 
_computing_publication_material   SHELXTL 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 55 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.1514P)^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     riding 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0000(5) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          2565 
_refine_ls_number_parameters      215 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1259 
_refine_ls_R_factor_obs           0.0768 
_refine_ls_wR_factor_all          0.2930 
_refine_ls_wR_factor_obs          0.1889 
_refine_ls_goodness_of_fit_all    1.007 
_refine_ls_goodness_of_fit_obs    1.068 
_refine_ls_restrained_S_all       1.362 
_refine_ls_restrained_S_obs       1.068 
_refine_ls_shift/esd_max          -1.848 
_refine_ls_shift/esd_mean         0.016 

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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Ru1 Ru 0.0000 0.05420(4) 0.2500 0.0633(5) Uani 1 d S . 
N1 N 0.0465(6) 0.0613(3) 0.1397(4) 0.066(2) Uani 1 d . . 
C2 C -0.0158(8) 0.1100(5) 0.0938(5) 0.070(2) Uani 1 d . . 
N2 N -0.0986(6) 0.1517(4) 0.1197(4) 0.068(2) Uani 1 d . . 
N3 N 0.0147(8) 0.1161(5) 0.0202(4) 0.089(2) Uani 1 d . . 
C4 C 0.1007(11) 0.0695(7) 0.0199(7) 0.100(4) Uani 1 d . . 
H4A H 0.1414(11) 0.0622(7) -0.0217(7) 0.120 Uiso 1 calc R . 
C5 C 0.1174(10) 0.0348(6) 0.0922(7) 0.093(3) Uani 1 d . . 
H5A H 0.1702(10) -0.0020(6) 0.1068(7) 0.111 Uiso 1 calc R . 
N6 N -0.1060(5) 0.1315(3) 0.1920(4) 0.058(2) Uani 1 d . . 
C6 C -0.1844(7) 0.1770(5) 0.2261(5) 0.067(2) Uani 1 d . . 
C7 C -0.2665(8) 0.1438(6) 0.2653(5) 0.081(3) Uani 1 d . . 
H7A H -0.2691(8) 0.0948(6) 0.2702(5) 0.098 Uiso 1 calc R . 
C8 C -0.3431(9) 0.1871(8) 0.2963(7) 0.104(3) Uani 1 d . . 
H8A H -0.3981(9) 0.1678(8) 0.3234(7) 0.125 Uiso 1 calc R . 
C9 C -0.3366(13) 0.2578(10) 0.2864(8) 0.120(5) Uani 1 d . . 
H9A H -0.3910(13) 0.2859(10) 0.3054(8) 0.144 Uiso 1 calc R . 
C10 C -0.2564(12) 0.2909(7) 0.2507(7) 0.109(4) Uani 1 d . . 
H10A H -0.2534(12) 0.3400(7) 0.2477(7) 0.131 Uiso 1 calc R . 
C11 C -0.1793(9) 0.2486(5) 0.2188(6) 0.084(3) Uani 1 d . . 
H11A H -0.1243(9) 0.2690(5) 0.1926(6) 0.101 Uiso 1 calc R . 
C12 C -0.0363(11) 0.1680(8) -0.0431(6) 0.117(4) Uani 1 d . . 
H12A H -0.0107(11) 0.1559(8) -0.0929(6) 0.140 Uiso 1 calc R . 
H12B H -0.1207(11) 0.1633(8) -0.0532(6) 0.140 Uiso 1 calc R . 
C13 C -0.0059(10) 0.2431(7) -0.0233(5) 0.088(3) Uani 1 d . . 
C14 C -0.0834(15) 0.2940(11) -0.0510(9) 0.150(6) Uani 1 d . . 
H14A H -0.1561(15) 0.2809(11) -0.0808(9) 0.180 Uiso 1 calc R . 
C15 C -0.0594(19) 0.3665(12) -0.0367(11) 0.175(8) Uani 1 d . . 
H15A H -0.1144(19) 0.4010(12) -0.0569(11) 0.210 Uiso 1 calc R . 
C16 C 0.0495(17) 0.3847(9) 0.0085(9) 0.144(5) Uani 1 d . . 
H16A H 0.0690(17) 0.4321(9) 0.0180(9) 0.172 Uiso 1 calc R . 
C17 C 0.1263(12) 0.3342(8) 0.0383(8) 0.121(4) Uani 1 d . . 
H17A H 0.1984(12) 0.3472(8) 0.0690(8) 0.146 Uiso 1 calc R . 
C18 C 0.1010(10) 0.2629(7) 0.0246(7) 0.107(4) Uani 1 d . . 
H18A H 0.1548(10) 0.2286(7) 0.0471(7) 0.128 Uiso 1 calc R . 
N20 N 0.1253(12) -0.0260(7) 0.2950(9) 0.131(4) Uiso 1 d . . 
O1 O 0.1839(15) -0.0183(9) 0.3472(11) 0.207(5) Uiso 1 d . . 
O2 O 0.0991(24) -0.0739(15) 0.3338(17) 0.178(9) Uiso 0.50 d P . 
O3 O 0.1054(32) -0.0702(21) 0.2331(24) 0.238(14) Uiso 0.50 d P . 
O30 O -0.0955(29) 0.4536(16) 0.1592(20) 0.135(9) Uiso 0.33 d P . 
O40 O -0.0408(21) 0.5063(14) 0.1759(14) 0.110(7) Uiso 0.33 d P . 
O50 O -0.0308(34) 0.4355(19) 0.2026(23) 0.158(11) Uiso 0.33 d P . 

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 0.0896(8) 0.0390(6) 0.0695(7) 0.000 0.0356(5) 0.000 
N1 0.082(4) 0.055(4) 0.068(4) -0.012(4) 0.031(4) -0.008(4) 
C2 0.076(6) 0.079(6) 0.058(5) -0.018(5) 0.022(5) -0.027(5) 
N2 0.074(4) 0.079(5) 0.051(4) 0.004(3) 0.010(3) -0.013(4) 
N3 0.110(6) 0.108(6) 0.053(5) -0.017(4) 0.028(4) -0.040(6) 
C4 0.111(8) 0.123(9) 0.080(7) -0.035(7) 0.052(6) -0.031(7) 
C5 0.115(8) 0.084(6) 0.091(7) -0.036(6) 0.048(6) -0.019(6) 
N6 0.061(4) 0.057(4) 0.058(4) -0.007(3) 0.013(3) -0.009(3) 
C6 0.064(5) 0.076(6) 0.056(5) -0.001(4) 0.001(4) 0.005(4) 
C7 0.075(6) 0.101(7) 0.069(5) 0.002(5) 0.017(5) 0.018(5) 
C8 0.079(7) 0.147(12) 0.090(7) -0.007(8) 0.024(5) 0.010(7) 
C9 0.102(9) 0.145(13) 0.104(9) -0.028(9) -0.001(7) 0.057(9) 
C10 0.115(9) 0.091(8) 0.115(9) -0.011(7) 0.003(8) 0.028(7) 
C11 0.099(7) 0.067(6) 0.081(6) -0.004(5) 0.002(5) 0.007(5) 
C12 0.131(9) 0.168(12) 0.050(5) 0.011(7) 0.012(5) -0.043(9) 
C13 0.095(7) 0.122(9) 0.047(5) 0.007(6) 0.012(5) -0.021(7) 
C14 0.144(12) 0.166(15) 0.115(11) 0.032(11) -0.038(9) 0.000(12) 
C15 0.192(18) 0.155(16) 0.150(14) 0.007(13) -0.037(13) 0.048(14) 
C16 0.191(16) 0.114(10) 0.113(10) 0.021(9) -0.002(10) 0.019(11) 
C17 0.121(9) 0.117(10) 0.116(9) 0.027(8) -0.002(7) -0.026(9) 
C18 0.098(8) 0.111(9) 0.107(8) 0.021(7) 0.010(7) -0.015(7) 

_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 N6 2.035(6) 2 ? 
Ru1 N6 2.035(6) . ? 
Ru1 N1 2.035(7) . ? 
Ru1 N1 2.035(7) 2 ? 
Ru1 N20 2.137(13) . ? 
Ru1 N20 2.137(13) 2 ? 
N1 C2 1.323(11) . ? 
N1 C5 1.353(12) . ? 
C2 N3 1.358(11) . ? 
C2 N2 1.381(11) . ? 
N2 N6 1.293(9) . ? 
N3 C4 1.334(14) . ? 
N3 C12 1.482(15) . ? 
C4 C5 1.36(2) . ? 
N6 C6 1.451(11) . ? 
C6 C11 1.360(13) . ? 
C6 C7 1.411(13) . ? 
C7 C8 1.387(15) . ? 
C8 C9 1.35(2) . ? 
C9 C10 1.36(2) . ? 
C10 C11 1.39(2) . ? 
C12 C13 1.48(2) . ? 
C13 C14 1.34(2) . ? 
C13 C18 1.397(15) . ? 
C14 C15 1.41(2) . ? 
C15 C16 1.39(2) . ? 
C16 C17 1.34(2) . ? 
C17 C18 1.39(2) . ? 
N20 O1 1.01(2) . ? 
N20 O2 1.19(3) . ? 
N20 O3 1.32(4) . ? 
O1 O2 1.43(3) . ? 
O2 O3 1.71(4) . ? 
O30 O50 1.00(4) . ? 
O30 O40 1.19(3) . ? 
O40 O50 1.41(4) . ? 
O50 O50 1.61(7) 2 ? 

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 
N6 Ru1 N6 88.3(3) 2 . ? 
N6 Ru1 N1 98.3(3) 2 . ? 
N6 Ru1 N1 76.2(3) . . ? 
N6 Ru1 N1 76.2(3) 2 2 ? 
N6 Ru1 N1 98.3(3) . 2 ? 
N1 Ru1 N1 172.4(4) . 2 ? 
N6 Ru1 N20 91.6(4) 2 . ? 
N6 Ru1 N20 170.9(4) . . ? 
N1 Ru1 N20 94.8(4) . . ? 
N1 Ru1 N20 90.6(4) 2 . ? 
N6 Ru1 N20 170.9(4) 2 2 ? 
N6 Ru1 N20 91.6(4) . 2 ? 
N1 Ru1 N20 90.6(4) . 2 ? 
N1 Ru1 N20 94.8(4) 2 2 ? 
N20 Ru1 N20 89.8(8) . 2 ? 
C2 N1 C5 104.0(8) . . ? 
C2 N1 Ru1 111.3(5) . . ? 
C5 N1 Ru1 144.7(8) . . ? 
N1 C2 N3 112.2(9) . . ? 
N1 C2 N2 123.4(7) . . ? 
N3 C2 N2 124.3(10) . . ? 
N6 N2 C2 107.9(7) . . ? 
C4 N3 C2 106.1(9) . . ? 
C4 N3 C12 129.0(9) . . ? 
C2 N3 C12 124.7(11) . . ? 
N3 C4 C5 106.9(9) . . ? 
N1 C5 C4 110.6(11) . . ? 
N2 N6 C6 111.1(6) . . ? 
N2 N6 Ru1 121.1(5) . . ? 
C6 N6 Ru1 127.3(5) . . ? 
C11 C6 C7 122.0(9) . . ? 
C11 C6 N6 120.7(8) . . ? 
C7 C6 N6 117.3(8) . . ? 
C8 C7 C6 117.4(11) . . ? 
C9 C8 C7 118.8(12) . . ? 
C8 C9 C10 124.8(12) . . ? 
C9 C10 C11 117.4(12) . . ? 
C6 C11 C10 119.7(11) . . ? 
C13 C12 N3 115.3(8) . . ? 
C14 C13 C18 118.3(13) . . ? 
C14 C13 C12 119.5(12) . . ? 
C18 C13 C12 122.2(12) . . ? 
C13 C14 C15 122.7(14) . . ? 
C16 C15 C14 117.6(16) . . ? 
C17 C16 C15 120.2(16) . . ? 
C16 C17 C18 121.6(13) . . ? 
C17 C18 C13 119.6(12) . . ? 
O1 N20 O2 80.5(18) . . ? 
O1 N20 O3 139.4(25) . . ? 
O2 N20 O3 85.7(23) . . ? 
O1 N20 Ru1 120.4(15) . . ? 
O2 N20 Ru1 120.1(16) . . ? 
O3 N20 Ru1 99.6(19) . . ? 
N20 O1 O2 55.2(14) . . ? 
N20 O2 O1 44.3(12) . . ? 
N20 O2 O3 50.3(17) . . ? 
O1 O2 O3 88.0(21) . . ? 
N20 O3 O2 43.9(15) . . ? 
O50 O30 O40 79.7(32) . . ? 
O30 O40 O50 44.4(19) . . ? 
O30 O50 O40 55.9(26) . . ? 
O30 O50 O50 147.8(44) . 2 ? 
O40 O50 O50 107.9(18) . 2 ? 

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 
N6 Ru1 N1 C2 -86.4(5) 2 . . . ? 
N6 Ru1 N1 C2 -0.2(5) . . . . ? 
N1 Ru1 N1 C2 -43.8(5) 2 . . . ? 
N20 Ru1 N1 C2 -178.8(6) . . . . ? 
N20 Ru1 N1 C2 91.3(6) 2 . . . ? 
N6 Ru1 N1 C5 94.7(10) 2 . . . ? 
N6 Ru1 N1 C5 -179.1(10) . . . . ? 
N1 Ru1 N1 C5 137.3(10) 2 . . . ? 
N20 Ru1 N1 C5 2.4(11) . . . . ? 
N20 Ru1 N1 C5 -87.5(11) 2 . . . ? 
C5 N1 C2 N3 -1.2(9) . . . . ? 
Ru1 N1 C2 N3 179.4(5) . . . . ? 
C5 N1 C2 N2 -178.7(8) . . . . ? 
Ru1 N1 C2 N2 2.0(9) . . . . ? 
N1 C2 N2 N6 -3.2(10) . . . . ? 
N3 C2 N2 N6 179.7(7) . . . . ? 
N1 C2 N3 C4 -0.5(10) . . . . ? 
N2 C2 N3 C4 176.9(8) . . . . ? 
N1 C2 N3 C12 -177.4(8) . . . . ? 
N2 C2 N3 C12 -0.1(13) . . . . ? 
C2 N3 C4 C5 2.1(11) . . . . ? 
C12 N3 C4 C5 178.8(9) . . . . ? 
C2 N1 C5 C4 2.6(10) . . . . ? 
Ru1 N1 C5 C4 -178.6(7) . . . . ? 
N3 C4 C5 N1 -3.0(12) . . . . ? 
C2 N2 N6 C6 175.1(6) . . . . ? 
C2 N2 N6 Ru1 2.9(8) . . . . ? 
N6 Ru1 N6 N2 97.3(6) 2 . . . ? 
N1 Ru1 N6 N2 -1.7(5) . . . . ? 
N1 Ru1 N6 N2 173.1(5) 2 . . . ? 
N20 Ru1 N6 N2 7.3(27) . . . . ? 
N20 Ru1 N6 N2 -91.9(6) 2 . . . ? 
N6 Ru1 N6 C6 -73.6(6) 2 . . . ? 
N1 Ru1 N6 C6 -172.5(6) . . . . ? 
N1 Ru1 N6 C6 2.2(6) 2 . . . ? 
N20 Ru1 N6 C6 -163.5(25) . . . . ? 
N20 Ru1 N6 C6 97.3(7) 2 . . . ? 
N2 N6 C6 C11 -44.3(10) . . . . ? 
Ru1 N6 C6 C11 127.2(7) . . . . ? 
N2 N6 C6 C7 134.5(7) . . . . ? 
Ru1 N6 C6 C7 -53.9(9) . . . . ? 
C11 C6 C7 C8 0.2(13) . . . . ? 
N6 C6 C7 C8 -178.6(8) . . . . ? 
C6 C7 C8 C9 1.0(15) . . . . ? 
C7 C8 C9 C10 -2.8(19) . . . . ? 
C8 C9 C10 C11 3.1(19) . . . . ? 
C7 C6 C11 C10 0.1(14) . . . . ? 
N6 C6 C11 C10 178.9(8) . . . . ? 
C9 C10 C11 C6 -1.7(15) . . . . ? 
C4 N3 C12 C13 -107.7(13) . . . . ? 
C2 N3 C12 C13 68.5(13) . . . . ? 
N3 C12 C13 C14 -147.3(12) . . . . ? 
N3 C12 C13 C18 31.6(15) . . . . ? 
C18 C13 C14 C15 3.0(24) . . . . ? 
C12 C13 C14 C15 -178.1(16) . . . . ? 
C13 C14 C15 C16 -0.5(29) . . . . ? 
C14 C15 C16 C17 -1.4(27) . . . . ? 
C15 C16 C17 C18 0.8(24) . . . . ? 
C16 C17 C18 C13 1.8(20) . . . . ? 
C14 C13 C18 C17 -3.6(18) . . . . ? 
C12 C13 C18 C17 177.5(10) . . . . ? 
N6 Ru1 N20 O1 25.8(17) 2 . . . ? 
N6 Ru1 N20 O1 115.4(26) . . . . ? 
N1 Ru1 N20 O1 124.2(17) . . . . ? 
N1 Ru1 N20 O1 -50.4(17) 2 . . . ? 
N20 Ru1 N20 O1 -145.2(19) 2 . . . ? 
N6 Ru1 N20 O2 122.6(19) 2 . . . ? 
N6 Ru1 N20 O2 -147.7(22) . . . . ? 
N1 Ru1 N20 O2 -139.0(19) . . . . ? 
N1 Ru1 N20 O2 46.4(19) 2 . . . ? 
N20 Ru1 N20 O2 -48.4(18) 2 . . . ? 
N6 Ru1 N20 O3 -146.8(19) 2 . . . ? 
N6 Ru1 N20 O3 -57.1(34) . . . . ? 
N1 Ru1 N20 O3 -48.3(19) . . . . ? 
N1 Ru1 N20 O3 137.0(19) 2 . . . ? 
N20 Ru1 N20 O3 42.2(18) 2 . . . ? 
O2 N20 O1 O2 0.0 . . . . ? 
O3 N20 O1 O2 -71.9(36) . . . . ? 
Ru1 N20 O1 O2 119.5(20) . . . . ? 
O1 N20 O2 O1 0.0 . . . . ? 
O3 N20 O2 O1 141.7(23) . . . . ? 
Ru1 N20 O2 O1 -119.7(19) . . . . ? 
O1 N20 O2 O3 -141.7(23) . . . . ? 
O3 N20 O2 O3 0.000(2) . . . . ? 
Ru1 N20 O2 O3 98.6(22) . . . . ? 
N20 O1 O2 N20 0.0 . . . . ? 
N20 O1 O2 O3 28.5(18) . . . . ? 
O1 N20 O3 O2 70.1(33) . . . . ? 
O2 N20 O3 O2 0.000(3) . . . . ? 
Ru1 N20 O3 O2 -119.9(17) . . . . ? 
N20 O2 O3 N20 0.000(5) . . . . ? 
O1 O2 O3 N20 -25.7(16) . . . . ? 
O50 O30 O40 O50 0.000(10) . . . . ? 
O40 O30 O50 O40 0.000(10) . . . . ? 
O40 O30 O50 O50 68.0(74) . . . 2 ? 
O30 O40 O50 O30 0.000(13) . . . . ? 
O30 O40 O50 O50 -148.7(55) . . . 2 ? 

_refine_diff_density_max    1.328 
_refine_diff_density_min   -0.568 
_refine_diff_density_rms    0.113