#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:05:40 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179951 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/46/7024605.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7024605
loop_
_publ_author_name
'Kundu, Tanaya'
'Mobin, Shaikh M.'
'Lahiri, Goutam Kumar'
_publ_section_title
;
 Paramagnetic ruthenium-biimidazole derivatives [(acac)2Ru(III)(LHn)]m,
 n/m = 2/+, 1/0, 0/-. Synthesis, structures, solution properties and anion
 receptor features in solution state.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4232
_journal_page_last               4242
_journal_paper_doi               10.1039/b919036h
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C32 H38 N8 O8 Ru2'
_chemical_formula_weight         864.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.134(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.951(2)
_cell_length_b                   22.3352(12)
_cell_length_c                   15.1032(10)
_cell_measurement_reflns_used    10590
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.5072
_cell_measurement_theta_min      2.9605
_cell_volume                     7076.2(9)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1026
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26995
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_max  0.8104
_exptl_absorpt_correction_T_min  0.7523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3504
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    RIDING
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         6215
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0389P)²+7.7737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                5367
_reflns_number_total             6215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b919036h.txt
_cod_data_source_block           for_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        7076.0(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7024605
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'
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
Ru1 Ru 0.229576(13) 0.046360(12) 0.255312(19) 0.02204(9) Uani 1 1 d .
Ru2 Ru 0.5000 0.183176(16) 0.7500 0.02087(11) Uani 1 2 d S
Ru3 Ru 0.5000 -0.270723(16) 0.7500 0.02049(11) Uani 1 2 d S
O1 O 0.20988(12) -0.03065(10) 0.18435(17) 0.0266(5) Uani 1 1 d .
O2 O 0.30992(11) 0.01164(10) 0.34119(17) 0.0269(5) Uani 1 1 d .
O3 O 0.27655(11) 0.07064(11) 0.16520(17) 0.0280(6) Uani 1 1 d .
O4 O 0.25041(11) 0.12292(10) 0.32650(17) 0.0275(5) Uani 1 1 d .
O5 O 0.43802(12) 0.18436(10) 0.82367(16) 0.0249(5) Uani 1 1 d .
O6 O 0.45027(12) 0.24517(10) 0.66126(16) 0.0260(5) Uani 1 1 d .
O7 O 0.51451(11) -0.33605(10) 0.66650(16) 0.0258(5) Uani 1 1 d .
O8 O 0.59146(11) -0.27126(10) 0.82591(16) 0.0248(5) Uani 1 1 d .
N1 N 0.17133(14) 0.02587(12) 0.33582(19) 0.0236(6) Uani 1 1 d .
N2 N 0.07762(16) 0.03558(13) 0.3587(2) 0.0265(7) Uani 1 1 d .
N3 N 0.14565(13) 0.08027(12) 0.17634(19) 0.0227(6) Uani 1 1 d .
N4 N 0.04034(14) 0.09244(13) 0.1549(2) 0.0289(7) Uani 1 1 d .
N5 N 0.45355(13) 0.11264(12) 0.67310(19) 0.0211(6) Uani 1 1 d .
N6 N 0.44527(15) 0.01381(14) 0.6519(2) 0.0267(7) Uani 1 1 d .
N7 N 0.51146(13) -0.20000(12) 0.67014(19) 0.0225(6) Uani 1 1 d .
N8 N 0.50332(14) -0.10071(12) 0.6463(2) 0.0242(6) Uani 1 1 d .
C1 C 0.2314(2) -0.11828(16) 0.1133(3) 0.0382(9) Uani 1 1 d .
H1A H 0.1936 -0.1380 0.1216 0.057 Uiso 1 1 calc R
H1B H 0.2655 -0.1478 0.1202 0.057 Uiso 1 1 calc R
H1C H 0.2208 -0.1005 0.0513 0.057 Uiso 1 1 calc R
C2 C 0.25333(18) -0.06992(15) 0.1853(2) 0.0262(8) Uani 1 1 d .
C3 C 0.31372(18) -0.07213(15) 0.2460(2) 0.0272(8) Uani 1 1 d .
H3 H 0.3411 -0.1027 0.2360 0.033 Uiso 1 1 calc R
C4 C 0.33904(17) -0.03387(15) 0.3213(2) 0.0251(8) Uani 1 1 d .
C5 C 0.40226(19) -0.04701(17) 0.3874(3) 0.0343(9) Uani 1 1 d .
H5A H 0.4292 -0.0112 0.3955 0.051 Uiso 1 1 calc R
H5B H 0.4224 -0.0798 0.3632 0.051 Uiso 1 1 calc R
H5C H 0.3970 -0.0587 0.4473 0.051 Uiso 1 1 calc R
C6 C 0.34208(19) 0.12576(18) 0.0985(3) 0.0374(9) Uani 1 1 d .
H6A H 0.3729 0.0936 0.1012 0.056 Uiso 1 1 calc R
H6B H 0.3641 0.1645 0.1068 0.056 Uiso 1 1 calc R
H6C H 0.3094 0.1250 0.0381 0.056 Uiso 1 1 calc R
C7 C 0.31120(16) 0.11694(15) 0.1739(3) 0.0266(8) Uani 1 1 d .
C8 C 0.32117(17) 0.15882(16) 0.2454(3) 0.0312(9) Uani 1 1 d .
H8 H 0.3515 0.1894 0.2465 0.037 Uiso 1 1 calc R
C9 C 0.29180(17) 0.16076(15) 0.3149(3) 0.0270(8) Uani 1 1 d .
C10 C 0.3051(2) 0.21196(17) 0.3818(3) 0.0418(10) Uani 1 1 d .
H10A H 0.2696 0.2404 0.3645 0.063 Uiso 1 1 calc R
H10B H 0.3445 0.2321 0.3802 0.063 Uiso 1 1 calc R
H10C H 0.3101 0.1969 0.4444 0.063 Uiso 1 1 calc R
C11 C 0.17556(18) 0.00458(16) 0.4230(3) 0.0282(8) Uani 1 1 d .
H11 H 0.2127 -0.0114 0.4660 0.034 Uiso 1 1 calc R
C12 C 0.11765(18) 0.01041(16) 0.4369(3) 0.0296(8) Uani 1 1 d .
H12 H 0.1068 -0.0009 0.4910 0.036 Uiso 1 1 calc R
C13 C 0.11135(17) 0.04441(15) 0.2992(2) 0.0240(7) Uani 1 1 d .
C14 C 0.09549(17) 0.07275(15) 0.2103(2) 0.0244(7) Uani 1 1 d .
C15 C 0.05660(18) 0.11579(16) 0.0808(3) 0.0311(8) Uani 1 1 d .
H15 H 0.0278 0.1346 0.0287 0.037 Uiso 1 1 calc R
C16 C 0.12060(18) 0.10787(16) 0.0931(2) 0.0284(8) Uani 1 1 d .
H16 H 0.1433 0.1195 0.0512 0.034 Uiso 1 1 calc R
C17 C 0.3622(2) 0.22324(18) 0.8887(3) 0.0388(10) Uani 1 1 d .
H17A H 0.3431 0.1836 0.8883 0.058 Uiso 1 1 calc R
H17B H 0.3287 0.2538 0.8759 0.058 Uiso 1 1 calc R
H17C H 0.3928 0.2307 0.9496 0.058 Uiso 1 1 calc R
C18 C 0.39593(17) 0.22577(15) 0.8159(2) 0.0255(8) Uani 1 1 d .
C19 C 0.37916(17) 0.26867(16) 0.7476(3) 0.0281(8) Uani 1 1 d .
H19 H 0.3474 0.2965 0.7515 0.034 Uiso 1 1 calc R
C20 C 0.40408(18) 0.27554(14) 0.6727(2) 0.0263(8) Uani 1 1 d .
C21 C 0.3747(2) 0.31895(17) 0.5963(3) 0.0363(9) Uani 1 1 d .
H21A H 0.4081 0.3443 0.5849 0.054 Uiso 1 1 calc R
H21B H 0.3437 0.3441 0.6142 0.054 Uiso 1 1 calc R
H21C H 0.3531 0.2968 0.5397 0.054 Uiso 1 1 calc R
C22 C 0.40706(17) 0.10192(16) 0.5923(2) 0.0261(8) Uani 1 1 d .
H22 H 0.3826 0.1314 0.5518 0.031 Uiso 1 1 calc R
C23 C 0.40167(18) 0.04143(16) 0.5797(3) 0.0295(8) Uani 1 1 d .
H23 H 0.3724 0.0217 0.5290 0.035 Uiso 1 1 calc R
C24 C 0.47472(16) 0.05824(14) 0.7065(2) 0.0207(7) Uani 1 1 d .
C25 C 0.5585(2) -0.42520(18) 0.6290(3) 0.0423(10) Uani 1 1 d .
H25A H 0.5167 -0.4445 0.6164 0.063 Uiso 1 1 calc R
H25B H 0.5920 -0.4539 0.6590 0.063 Uiso 1 1 calc R
H25C H 0.5648 -0.4116 0.5706 0.063 Uiso 1 1 calc R
C26 C 0.56154(18) -0.37265(15) 0.6915(2) 0.0274(8) Uani 1 1 d .
C27 C 0.61474(17) -0.36535(17) 0.7687(3) 0.0302(8) Uani 1 1 d .
H27 H 0.6448 -0.3971 0.7821 0.036 Uiso 1 1 calc R
C28 C 0.62812(17) -0.31652(16) 0.8277(2) 0.0260(8) Uani 1 1 d .
C29 C 0.69142(19) -0.3118(2) 0.9002(3) 0.0400(10) Uani 1 1 d .
H29A H 0.7167 -0.2801 0.8832 0.060 Uiso 1 1 calc R
H29B H 0.7141 -0.3500 0.9047 0.060 Uiso 1 1 calc R
H29C H 0.6849 -0.3024 0.9601 0.060 Uiso 1 1 calc R
C30 C 0.51510(17) -0.18867(16) 0.5827(2) 0.0271(8) Uani 1 1 d .
H30 H 0.5200 -0.2179 0.5396 0.033 Uiso 1 1 calc R
C31 C 0.51046(17) -0.12842(16) 0.5682(3) 0.0284(8) Uani 1 1 d .
H31 H 0.5119 -0.1086 0.5131 0.034 Uiso 1 1 calc R
C32 C 0.50437(16) -0.14592(14) 0.7044(2) 0.0210(7) Uani 1 1 d .
H2N H 0.043(2) 0.0513(18) 0.353(3) 0.036(12) Uiso 1 1 d .
H6N H 0.454(3) -0.019(3) 0.649(5) 0.11(3) Uiso 1 1 d .
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'
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
O4 Ru1 O1 179.26(10) . .
O4 Ru1 O3 92.96(10) . .
O1 Ru1 O3 86.69(10) . .
O4 Ru1 O2 87.98(10) . .
O1 Ru1 O2 91.37(10) . .
O3 Ru1 O2 90.77(10) . .
O4 Ru1 N3 91.21(10) . .
O1 Ru1 N3 89.46(11) . .
O3 Ru1 N3 93.41(10) . .
O2 Ru1 N3 175.78(10) . .
O4 Ru1 N1 87.48(10) . .
O1 Ru1 N1 92.95(10) . .
O3 Ru1 N1 172.77(11) . .
O2 Ru1 N1 96.46(11) . .
N3 Ru1 N1 79.36(11) . .
O5 Ru2 O5 178.48(13) . 2_656
O5 Ru2 O6 86.83(10) . 2_656
O5 Ru2 O6 92.13(9) 2_656 2_656
O5 Ru2 O6 92.13(9) . .
O5 Ru2 O6 86.83(10) 2_656 .
O6 Ru2 O6 92.96(14) 2_656 .
O5 Ru2 N5 91.09(10) . .
O5 Ru2 N5 90.08(10) 2_656 .
O6 Ru2 N5 172.79(10) 2_656 .
O6 Ru2 N5 94.02(10) . .
O5 Ru2 N5 90.08(10) . 2_656
O5 Ru2 N5 91.09(10) 2_656 2_656
O6 Ru2 N5 94.02(10) 2_656 2_656
O6 Ru2 N5 172.79(10) . 2_656
N5 Ru2 N5 79.07(16) . 2_656
O8 Ru3 O8 179.31(13) 2_656 .
O8 Ru3 O7 87.35(9) 2_656 .
O8 Ru3 O7 92.15(9) . .
O8 Ru3 O7 92.14(10) 2_656 2_656
O8 Ru3 O7 87.35(9) . 2_656
O7 Ru3 O7 87.17(13) . 2_656
O8 Ru3 N7 93.76(10) 2_656 2_656
O8 Ru3 N7 86.77(10) . 2_656
O7 Ru3 N7 175.71(10) . 2_656
O7 Ru3 N7 96.92(10) 2_656 2_656
O8 Ru3 N7 86.77(10) 2_656 .
O8 Ru3 N7 93.76(10) . .
O7 Ru3 N7 96.92(10) . .
O7 Ru3 N7 175.71(10) 2_656 .
N7 Ru3 N7 79.01(15) 2_656 .
C2 O1 Ru1 122.3(2) . .
C4 O2 Ru1 123.9(2) . .
C7 O3 Ru1 124.2(2) . .
C9 O4 Ru1 123.1(2) . .
C18 O5 Ru2 123.2(2) . .
C20 O6 Ru2 125.0(2) . .
C26 O7 Ru3 122.6(2) . .
C28 O8 Ru3 122.2(2) . .
C13 N1 C11 106.5(3) . .
C13 N1 Ru1 113.2(2) . .
C11 N1 Ru1 139.7(2) . .
C13 N2 C12 107.4(3) . .
C13 N2 H2N 123(3) . .
C12 N2 H2N 127(3) . .
C14 N3 C16 104.7(3) . .
C14 N3 Ru1 115.5(2) . .
C16 N3 Ru1 139.8(2) . .
C14 N4 C15 103.4(3) . .
C24 N5 C22 105.2(3) . .
C24 N5 Ru2 115.1(2) . .
C22 N5 Ru2 139.6(2) . .
C24 N6 C23 104.8(3) . .
C24 N6 H6N 131(6) . .
C23 N6 H6N 121(5) . .
C32 N7 C30 104.6(3) . .
C32 N7 Ru3 114.8(2) . .
C30 N7 Ru3 139.7(2) . .
C32 N8 C31 103.8(3) . .
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 . .
O1 C2 C3 126.5(3) . .
O1 C2 C1 113.6(3) . .
C3 C2 C1 119.8(3) . .
C2 C3 C4 126.5(3) . .
C2 C3 H3 116.7 . .
C4 C3 H3 116.7 . .
O2 C4 C3 124.6(4) . .
O2 C4 C5 115.6(3) . .
C3 C4 C5 119.7(3) . .
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 125.4(3) . .
O3 C7 C6 114.8(3) . .
C8 C7 C6 119.8(3) . .
C9 C8 C7 127.2(3) . .
C9 C8 H8 116.4 . .
C7 C8 H8 116.4 . .
O4 C9 C8 125.9(3) . .
O4 C9 C10 114.5(3) . .
C8 C9 C10 119.5(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 . .
C12 C11 N1 108.2(3) . .
C12 C11 H11 125.9 . .
N1 C11 H11 125.9 . .
C11 C12 N2 107.4(3) . .
C11 C12 H12 126.3 . .
N2 C12 H12 126.3 . .
N1 C13 N2 110.5(3) . .
N1 C13 C14 117.6(3) . .
N2 C13 C14 131.8(3) . .
N4 C14 N3 114.3(3) . .
N4 C14 C13 131.5(3) . .
N3 C14 C13 114.2(3) . .
C16 C15 N4 110.0(3) . .
C16 C15 H15 125.0 . .
N4 C15 H15 125.0 . .
N3 C16 C15 107.6(3) . .
N3 C16 H16 126.2 . .
C15 C16 H16 126.2 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O5 C18 C19 126.4(3) . .
O5 C18 C17 113.8(3) . .
C19 C18 C17 119.8(3) . .
C18 C19 C20 126.8(3) . .
C18 C19 H19 116.6 . .
C20 C19 H19 116.6 . .
O6 C20 C19 124.5(3) . .
O6 C20 C21 114.8(3) . .
C19 C20 C21 120.7(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N5 C22 C23 108.1(3) . .
N5 C22 H22 126.0 . .
C23 C22 H22 126.0 . .
C22 C23 N6 108.9(3) . .
C22 C23 H23 125.6 . .
N6 C23 H23 125.6 . .
N6 C24 N5 113.0(3) . .
N6 C24 C24 131.7(2) . 2_656
N5 C24 C24 115.33(19) . 2_656
C26 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C26 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O7 C26 C27 125.0(3) . .
O7 C26 C25 115.6(3) . .
C27 C26 C25 119.3(3) . .
C28 C27 C26 126.6(3) . .
C28 C27 H27 116.7 . .
C26 C27 H27 116.7 . .
O8 C28 C27 126.3(3) . .
O8 C28 C29 113.6(3) . .
C27 C28 C29 120.0(3) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C31 C30 N7 108.4(3) . .
C31 C30 H30 125.8 . .
N7 C30 H30 125.8 . .
C30 C31 N8 109.1(3) . .
C30 C31 H31 125.5 . .
N8 C31 H31 125.5 . .
N8 C32 N7 114.2(3) . .
N8 C32 C32 130.23(18) . 2_656
N7 C32 C32 115.52(18) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O4 2.000(2) .
Ru1 O1 2.005(2) .
Ru1 O3 2.009(2) .
Ru1 O2 2.012(2) .
Ru1 N3 2.024(3) .
Ru1 N1 2.059(3) .
Ru2 O5 1.995(2) .
Ru2 O5 1.995(2) 2_656
Ru2 O6 2.011(2) 2_656
Ru2 O6 2.011(2) .
Ru2 N5 2.043(3) .
Ru2 N5 2.043(3) 2_656
Ru3 O8 1.997(2) 2_656
Ru3 O8 1.997(2) .
Ru3 O7 2.014(2) .
Ru3 O7 2.014(2) 2_656
Ru3 N7 2.047(3) 2_656
Ru3 N7 2.047(3) .
O1 C2 1.293(4) .
O2 C4 1.282(4) .
O3 C7 1.267(4) .
O4 C9 1.290(4) .
O5 C18 1.288(4) .
O6 C20 1.273(4) .
O7 C26 1.283(4) .
O8 C28 1.287(4) .
N1 C13 1.335(5) .
N1 C11 1.377(4) .
N2 C13 1.337(4) .
N2 C12 1.367(5) .
N2 H2N 0.81(4) .
N3 C14 1.355(4) .
N3 C16 1.362(5) .
N4 C14 1.328(5) .
N4 C15 1.374(5) .
N5 C24 1.345(4) .
N5 C22 1.361(5) .
N6 C24 1.330(5) .
N6 C23 1.368(5) .
N6 H6N 0.76(7) .
N7 C32 1.341(4) .
N7 C30 1.369(4) .
N8 C32 1.334(4) .
N8 C31 1.381(4) .
C1 C2 1.507(5) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.373(5) .
C3 C4 1.400(5) .
C3 H3 0.9500 .
C4 C5 1.481(5) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.501(5) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.397(5) .
C8 C9 1.384(5) .
C8 H8 0.9500 .
C9 C10 1.496(5) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.354(5) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.431(5) .
C15 C16 1.373(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.496(5) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.377(5) .
C19 C20 1.402(5) .
C19 H19 0.9500 .
C20 C21 1.500(5) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.365(5) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C24 1.449(7) 2_656
C25 C26 1.495(5) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.396(5) .
C27 C28 1.384(5) .
C27 H27 0.9500 .
C28 C29 1.498(5) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C31 1.363(5) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C32 1.445(6) 2_656
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_4
O4 Ru1 O1 C2 7(8) . .
O3 Ru1 O1 C2 69.0(3) . .
O2 Ru1 O1 C2 -21.7(3) . .
N3 Ru1 O1 C2 162.4(3) . .
N1 Ru1 O1 C2 -118.3(3) . .
O4 Ru1 O2 C4 -158.6(3) . .
O1 Ru1 O2 C4 21.1(3) . .
O3 Ru1 O2 C4 -65.6(3) . .
N3 Ru1 O2 C4 122.4(13) . .
N1 Ru1 O2 C4 114.2(3) . .
O4 Ru1 O3 C7 8.1(3) . .
O1 Ru1 O3 C7 -171.2(3) . .
O2 Ru1 O3 C7 -79.9(3) . .
N3 Ru1 O3 C7 99.5(3) . .
N1 Ru1 O3 C7 101.4(8) . .
O1 Ru1 O4 C9 50(8) . .
O3 Ru1 O4 C9 -11.6(3) . .
O2 Ru1 O4 C9 79.0(3) . .
N3 Ru1 O4 C9 -105.1(3) . .
N1 Ru1 O4 C9 175.6(3) . .
O5 Ru2 O5 C18 31.8(3) 2_656 .
O6 Ru2 O5 C18 78.3(3) 2_656 .
O6 Ru2 O5 C18 -14.6(3) . .
N5 Ru2 O5 C18 -108.6(3) . .
N5 Ru2 O5 C18 172.3(3) 2_656 .
O5 Ru2 O6 C20 10.3(3) . .
O5 Ru2 O6 C20 -168.6(3) 2_656 .
O6 Ru2 O6 C20 -76.6(3) 2_656 .
N5 Ru2 O6 C20 101.6(3) . .
N5 Ru2 O6 C20 118.0(8) 2_656 .
O8 Ru3 O7 C26 -157.2(3) 2_656 .
O8 Ru3 O7 C26 22.3(3) . .
O7 Ru3 O7 C26 -64.9(2) 2_656 .
N7 Ru3 O7 C26 97.6(14) 2_656 .
N7 Ru3 O7 C26 116.4(3) . .
O8 Ru3 O8 C28 22.4(2) 2_656 .
O7 Ru3 O8 C28 -21.1(2) . .
O7 Ru3 O8 C28 66.0(2) 2_656 .
N7 Ru3 O8 C28 163.1(2) 2_656 .
N7 Ru3 O8 C28 -118.2(2) . .
O4 Ru1 N1 C13 91.0(2) . .
O1 Ru1 N1 C13 -89.6(2) . .
O3 Ru1 N1 C13 -2.6(9) . .
O2 Ru1 N1 C13 178.7(2) . .
N3 Ru1 N1 C13 -0.7(2) . .
O4 Ru1 N1 C11 -78.8(4) . .
O1 Ru1 N1 C11 100.6(4) . .
O3 Ru1 N1 C11 -172.5(7) . .
O2 Ru1 N1 C11 8.9(4) . .
N3 Ru1 N1 C11 -170.5(4) . .
O4 Ru1 N3 C14 -88.5(2) . .
O1 Ru1 N3 C14 91.8(2) . .
O3 Ru1 N3 C14 178.5(2) . .
O2 Ru1 N3 C14 -9.5(15) . .
N1 Ru1 N3 C14 -1.3(2) . .
O4 Ru1 N3 C16 95.2(4) . .
O1 Ru1 N3 C16 -84.4(4) . .
O3 Ru1 N3 C16 2.2(4) . .
O2 Ru1 N3 C16 174.2(12) . .
N1 Ru1 N3 C16 -177.5(4) . .
O5 Ru2 N5 C24 -90.7(2) . .
O5 Ru2 N5 C24 90.2(2) 2_656 .
O6 Ru2 N5 C24 -17.6(9) 2_656 .
O6 Ru2 N5 C24 177.0(2) . .
N5 Ru2 N5 C24 -0.88(16) 2_656 .
O5 Ru2 N5 C22 93.0(3) . .
O5 Ru2 N5 C22 -86.1(3) 2_656 .
O6 Ru2 N5 C22 166.1(6) 2_656 .
O6 Ru2 N5 C22 0.7(3) . .
N5 Ru2 N5 C22 -177.2(4) 2_656 .
O8 Ru3 N7 C32 92.5(2) 2_656 .
O8 Ru3 N7 C32 -88.0(2) . .
O7 Ru3 N7 C32 179.4(2) . .
O7 Ru3 N7 C32 17.0(16) 2_656 .
N7 Ru3 N7 C32 -1.99(17) 2_656 .
O8 Ru3 N7 C30 -74.3(4) 2_656 .
O8 Ru3 N7 C30 105.3(4) . .
O7 Ru3 N7 C30 12.7(4) . .
O7 Ru3 N7 C30 -149.7(13) 2_656 .
N7 Ru3 N7 C30 -168.7(4) 2_656 .
Ru1 O1 C2 C3 14.3(5) . .
Ru1 O1 C2 C1 -168.5(2) . .
O1 C2 C3 C4 3.1(6) . .
C1 C2 C3 C4 -174.0(3) . .
Ru1 O2 C4 C3 -12.2(5) . .
Ru1 O2 C4 C5 171.2(2) . .
C2 C3 C4 O2 -4.3(6) . .
C2 C3 C4 C5 172.1(3) . .
Ru1 O3 C7 C8 -1.5(5) . .
Ru1 O3 C7 C6 179.5(2) . .
O3 C7 C8 C9 -5.7(6) . .
C6 C7 C8 C9 173.2(4) . .
Ru1 O4 C9 C8 9.1(5) . .
Ru1 O4 C9 C10 -174.0(2) . .
C7 C8 C9 O4 1.4(6) . .
C7 C8 C9 C10 -175.5(4) . .
C13 N1 C11 C12 0.4(4) . .
Ru1 N1 C11 C12 170.7(3) . .
N1 C11 C12 N2 -0.3(4) . .
C13 N2 C12 C11 0.1(4) . .
C11 N1 C13 N2 -0.3(4) . .
Ru1 N1 C13 N2 -173.5(2) . .
C11 N1 C13 C14 175.7(3) . .
Ru1 N1 C13 C14 2.5(4) . .
C12 N2 C13 N1 0.1(4) . .
C12 N2 C13 C14 -175.1(4) . .
C15 N4 C14 N3 -1.6(4) . .
C15 N4 C14 C13 179.1(4) . .
C16 N3 C14 N4 1.0(4) . .
Ru1 N3 C14 N4 -176.5(2) . .
C16 N3 C14 C13 -179.6(3) . .
Ru1 N3 C14 C13 2.9(4) . .
N1 C13 C14 N4 175.7(3) . .
N2 C13 C14 N4 -9.4(7) . .
N1 C13 C14 N3 -3.6(4) . .
N2 C13 C14 N3 171.3(3) . .
C14 N4 C15 C16 1.6(4) . .
C14 N3 C16 C15 0.1(4) . .
Ru1 N3 C16 C15 176.6(3) . .
N4 C15 C16 N3 -1.1(4) . .
Ru2 O5 C18 C19 12.0(5) . .
Ru2 O5 C18 C17 -170.2(2) . .
O5 C18 C19 C20 0.5(6) . .
C17 C18 C19 C20 -177.2(4) . .
Ru2 O6 C20 C19 -2.6(5) . .
Ru2 O6 C20 C21 -179.9(2) . .
C18 C19 C20 O6 -5.8(6) . .
C18 C19 C20 C21 171.3(4) . .
C24 N5 C22 C23 0.1(4) . .
Ru2 N5 C22 C23 176.6(2) . .
N5 C22 C23 N6 -0.7(4) . .
C24 N6 C23 C22 1.1(4) . .
C23 N6 C24 N5 -1.1(4) . .
C23 N6 C24 C24 179.8(5) . 2_656
C22 N5 C24 N6 0.6(4) . .
Ru2 N5 C24 N6 -176.9(2) . .
C22 N5 C24 C24 179.9(4) . 2_656
Ru2 N5 C24 C24 2.4(4) . 2_656
Ru3 O7 C26 C27 -13.9(5) . .
Ru3 O7 C26 C25 168.8(2) . .
O7 C26 C27 C28 -4.4(6) . .
C25 C26 C27 C28 172.9(4) . .
Ru3 O8 C28 C27 11.6(5) . .
Ru3 O8 C28 C29 -170.6(2) . .
C26 C27 C28 O8 5.8(6) . .
C26 C27 C28 C29 -171.9(4) . .
C32 N7 C30 C31 0.4(4) . .
Ru3 N7 C30 C31 168.0(3) . .
N7 C30 C31 N8 -0.4(4) . .
C32 N8 C31 C30 0.3(4) . .
C31 N8 C32 N7 -0.1(4) . .
C31 N8 C32 C32 -176.3(5) . 2_656
C30 N7 C32 N8 -0.2(4) . .
Ru3 N7 C32 N8 -171.4(2) . .
C30 N7 C32 C32 176.6(4) . 2_656
Ru3 N7 C32 C32 5.4(5) . 2_656
