#------------------------------------------------------------------------------
#$Date: 2025-08-21 02:27:06 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/66/4346642.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_4346642
loop_
_publ_author_name
'Mandal, Abhishek'
'Grupp, Anita'
'Schwederski, Brigitte'
'Kaim, Wolfgang'
'Lahiri, Goutam Kumar'
_publ_section_title
;
 Noninnocently Behaving Bridging Anions of the Widely Distributed
 Antioxidant Ellagic Acid in Diruthenium Complexes.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10049
_journal_page_last               10057
_journal_paper_doi               10.1021/acs.inorgchem.5b01868
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C66 H102 N2 O16 Ru2'
_chemical_formula_weight         1381.64
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.103(6)
_cell_angle_beta                 94.397(4)
_cell_angle_gamma                90.941(4)
_cell_formula_units_Z            2
_cell_length_a                   13.076(4)
_cell_length_b                   16.683(6)
_cell_length_c                   16.769(6)
_cell_measurement_reflns_used    8033
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.10
_cell_measurement_theta_min      3.00
_cell_volume                     3399(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            52650
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.510
_exptl_absorpt_correction_T_max  0.9701
_exptl_absorpt_correction_T_min  0.7775
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.472
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         11948
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0545
_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)+(0.0524P)²+6.8679P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1328
_reflns_number_gt                10949
_reflns_number_total             11948
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01868_si_001.cif
_cod_data_source_block           '[(nBu)4N]2[1]'
_cod_database_code               4346642
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.35499(2) 0.357102(18) 0.622003(18) 0.02070(10) Uani 1 1 d .
Ru2 Ru 0.63011(2) 0.128961(19) 0.888803(18) 0.02199(10) Uani 1 1 d .
O1 O 0.20534(19) 0.34012(15) 0.57317(16) 0.0222(5) Uani 1 1 d .
O2 O 0.33523(19) 0.47832(15) 0.63184(16) 0.0227(6) Uani 1 1 d .
O3 O 0.5030(2) 0.38143(17) 0.67279(17) 0.0276(6) Uani 1 1 d .
O4 O 0.3937(2) 0.33522(16) 0.50268(16) 0.0243(6) Uani 1 1 d .
O5 O 0.3121(2) 0.38393(16) 0.74333(16) 0.0268(6) Uani 1 1 d .
O6 O 0.3721(2) 0.23050(16) 0.60774(17) 0.0261(6) Uani 1 1 d .
O7 O 0.01036(19) 0.34831(15) 0.49746(16) 0.0209(5) Uani 1 1 d .
O8 O -0.1409(2) 0.28469(17) 0.4395(2) 0.0355(7) Uani 1 1 d .
O9 O 0.78473(19) 0.14907(16) 0.92247(16) 0.0237(6) Uani 1 1 d .
O10 O 0.66314(19) 0.00628(16) 0.86201(16) 0.0241(6) Uani 1 1 d .
O11 O 0.4781(2) 0.10290(17) 0.85277(17) 0.0273(6) Uani 1 1 d .
O12 O 0.6192(2) 0.13935(16) 1.01098(16) 0.0261(6) Uani 1 1 d .
O13 O 0.6481(2) 0.11709(17) 0.76533(16) 0.0257(6) Uani 1 1 d .
O14 O 0.6004(2) 0.25516(16) 0.92069(17) 0.0261(6) Uani 1 1 d .
O15 O 0.98216(19) 0.14884(15) 0.99686(16) 0.0233(6) Uani 1 1 d .
O16 O 1.1279(2) 0.22058(17) 1.05699(18) 0.0320(6) Uani 1 1 d .
N1 N 0.1910(2) 0.10892(19) 0.3645(2) 0.0252(7) Uani 1 1 d .
N2 N 0.8149(3) 0.3643(2) 1.1455(2) 0.0265(7) Uani 1 1 d .
C1 C 0.1757(3) 0.4115(2) 0.5626(2) 0.0196(7) Uani 1 1 d .
C2 C 0.2456(3) 0.4861(2) 0.5928(2) 0.0200(7) Uani 1 1 d .
C3 C 0.2171(3) 0.5629(2) 0.5841(2) 0.0192(7) Uani 1 1 d .
H3 H 0.2643 0.6113 0.6033 0.023 Uiso 1 1 calc R
C4 C 0.1201(3) 0.5692(2) 0.5474(2) 0.0189(7) Uani 1 1 d .
C5 C 0.0504(3) 0.4970(2) 0.5185(2) 0.0171(7) Uani 1 1 d .
C6 C 0.0789(3) 0.4201(2) 0.5259(2) 0.0167(7) Uani 1 1 d .
C7 C -0.0884(3) 0.3508(2) 0.4619(2) 0.0222(8) Uani 1 1 d .
C8 C 0.6789(3) 0.4148(3) 0.6824(3) 0.0464(12) Uani 1 1 d .
H8A H 0.6980 0.3666 0.6999 0.056 Uiso 1 1 calc R
H8B H 0.6763 0.4670 0.7334 0.056 Uiso 1 1 calc R
H8C H 0.7301 0.4240 0.6463 0.056 Uiso 1 1 calc R
C9 C 0.5756(3) 0.3947(2) 0.6326(3) 0.0324(9) Uani 1 1 d .
C10 C 0.5668(3) 0.3902(3) 0.5474(3) 0.0377(10) Uani 1 1 d .
H10 H 0.6258 0.4088 0.5278 0.045 Uiso 1 1 calc R
C11 C 0.4817(3) 0.3617(3) 0.4883(3) 0.0313(9) Uani 1 1 d .
C12 C 0.4878(4) 0.3587(3) 0.3978(3) 0.0418(11) Uani 1 1 d .
H12A H 0.4361 0.3952 0.3849 0.050 Uiso 1 1 calc R
H12B H 0.4749 0.2993 0.3575 0.050 Uiso 1 1 calc R
H12C H 0.5563 0.3796 0.3921 0.050 Uiso 1 1 calc R
C13 C 0.2583(4) 0.3640(3) 0.8661(3) 0.0404(11) Uani 1 1 d .
H13A H 0.2761 0.3259 0.8973 0.049 Uiso 1 1 calc R
H13B H 0.1836 0.3681 0.8608 0.049 Uiso 1 1 calc R
H13C H 0.2907 0.4214 0.8975 0.049 Uiso 1 1 calc R
C14 C 0.2962(3) 0.3282(3) 0.7777(3) 0.0301(9) Uani 1 1 d .
C15 C 0.3113(3) 0.2412(3) 0.7417(3) 0.0369(10) Uani 1 1 d .
H15 H 0.2940 0.2074 0.7742 0.044 Uiso 1 1 calc R
C16 C 0.3492(3) 0.1976(3) 0.6625(3) 0.0300(9) Uani 1 1 d .
C17 C 0.3672(4) 0.1028(3) 0.6388(3) 0.0371(10) Uani 1 1 d .
H17A H 0.3918 0.0800 0.5815 0.044 Uiso 1 1 calc R
H17B H 0.3028 0.0720 0.6390 0.044 Uiso 1 1 calc R
H17C H 0.4188 0.0949 0.6807 0.044 Uiso 1 1 calc R
C18 C 0.8193(3) 0.0791(2) 0.9329(2) 0.0206(8) Uani 1 1 d .
C19 C 0.7543(3) 0.0019(2) 0.9021(2) 0.0219(8) Uani 1 1 d .
C20 C 0.7875(3) -0.0731(2) 0.9119(2) 0.0219(8) Uani 1 1 d .
H20 H 0.7436 -0.1236 0.8915 0.026 Uiso 1 1 calc R
C21 C 0.8843(3) -0.0747(2) 0.9513(2) 0.0215(8) Uani 1 1 d .
C22 C 0.9505(3) 0.0001(2) 0.9800(2) 0.0202(7) Uani 1 1 d .
C23 C 0.9173(3) 0.0744(2) 0.9691(2) 0.0206(8) Uani 1 1 d .
C24 C 1.0800(3) 0.1522(2) 1.0358(2) 0.0239(8) Uani 1 1 d .
C25 C 0.5438(4) 0.1246(3) 1.1291(3) 0.0363(10) Uani 1 1 d .
H25A H 0.5424 0.1849 1.1674 0.044 Uiso 1 1 calc R
H25B H 0.6083 0.1007 1.1417 0.044 Uiso 1 1 calc R
H25C H 0.4858 0.0917 1.1380 0.044 Uiso 1 1 calc R
C26 C 0.5357(3) 0.1193(2) 1.0367(3) 0.0298(9) Uani 1 1 d .
C27 C 0.4421(3) 0.0976(3) 0.9889(3) 0.0336(9) Uani 1 1 d .
H27 H 0.3877 0.0832 1.0165 0.040 Uiso 1 1 calc R
C28 C 0.4162(3) 0.0940(2) 0.9046(3) 0.0296(9) Uani 1 1 d .
C29 C 0.3057(3) 0.0791(3) 0.8705(3) 0.0404(11) Uani 1 1 d .
H29A H 0.3006 0.0628 0.8080 0.048 Uiso 1 1 calc R
H29B H 0.2693 0.1320 0.8961 0.048 Uiso 1 1 calc R
H29C H 0.2748 0.0328 0.8850 0.048 Uiso 1 1 calc R
C30 C 0.6364(4) 0.1495(3) 0.6392(3) 0.0401(11) Uani 1 1 d .
H30A H 0.5952 0.0969 0.6057 0.048 Uiso 1 1 calc R
H30B H 0.7091 0.1400 0.6303 0.048 Uiso 1 1 calc R
H30C H 0.6145 0.1964 0.6205 0.048 Uiso 1 1 calc R
C31 C 0.6215(3) 0.1734(3) 0.7337(3) 0.0291(9) Uani 1 1 d .
C32 C 0.5843(3) 0.2534(3) 0.7781(3) 0.0322(9) Uani 1 1 d .
H32 H 0.5615 0.2862 0.7447 0.039 Uiso 1 1 calc R
C33 C 0.5770(3) 0.2904(3) 0.8656(3) 0.0296(9) Uani 1 1 d .
C34 C 0.5421(4) 0.3808(3) 0.9036(3) 0.0418(11) Uani 1 1 d .
H34A H 0.5970 0.4173 0.9440 0.050 Uiso 1 1 calc R
H34B H 0.4809 0.3809 0.9338 0.050 Uiso 1 1 calc R
H34C H 0.5258 0.4030 0.8576 0.050 Uiso 1 1 calc R
C35 C 0.2998(3) 0.1262(3) 0.4099(3) 0.0306(9) Uani 1 1 d .
H35A H 0.3050 0.1860 0.4518 0.037 Uiso 1 1 calc R
H35B H 0.3087 0.0878 0.4430 0.037 Uiso 1 1 calc R
C36 C 0.3879(3) 0.1146(3) 0.3546(3) 0.0328(9) Uani 1 1 d .
H36A H 0.3890 0.1606 0.3303 0.039 Uiso 1 1 calc R
H36B H 0.3781 0.0586 0.3063 0.039 Uiso 1 1 calc R
C37 C 0.4900(3) 0.1176(3) 0.4062(3) 0.0389(10) Uani 1 1 d .
H37A H 0.4963 0.1715 0.4573 0.047 Uiso 1 1 calc R
H37B H 0.4900 0.0689 0.4268 0.047 Uiso 1 1 calc R
C38 C 0.5810(4) 0.1132(3) 0.3566(3) 0.0486(12) Uani 1 1 d .
H38A H 0.5826 0.1621 0.3373 0.058 Uiso 1 1 calc R
H38B H 0.5762 0.0594 0.3066 0.058 Uiso 1 1 calc R
H38C H 0.6439 0.1153 0.3932 0.058 Uiso 1 1 calc R
C39 C 0.1149(3) 0.1413(2) 0.4319(3) 0.0296(9) Uani 1 1 d .
H39A H 0.1344 0.2020 0.4675 0.035 Uiso 1 1 calc R
H39B H 0.0460 0.1401 0.4024 0.035 Uiso 1 1 calc R
C40 C 0.1074(3) 0.0909(3) 0.4907(3) 0.0337(10) Uani 1 1 d .
H40A H 0.0821 0.0311 0.4564 0.040 Uiso 1 1 calc R
H40B H 0.1765 0.0887 0.5182 0.040 Uiso 1 1 calc R
C41 C 0.0356(4) 0.1313(3) 0.5594(3) 0.0463(12) Uani 1 1 d .
H41A H 0.0360 0.0984 0.5981 0.056 Uiso 1 1 calc R
H41B H 0.0622 0.1906 0.5939 0.056 Uiso 1 1 calc R
C42 C -0.0737(4) 0.1348(4) 0.5252(4) 0.0605(16) Uani 1 1 d .
H42A H -0.1014 0.0763 0.4918 0.073 Uiso 1 1 calc R
H42B H -0.0754 0.1689 0.4883 0.073 Uiso 1 1 calc R
H42C H -0.1154 0.1613 0.5732 0.073 Uiso 1 1 calc R
C43 C 0.1751(3) 0.0125(2) 0.3147(3) 0.0307(9) Uani 1 1 d .
H43A H 0.2235 -0.0042 0.2695 0.037 Uiso 1 1 calc R
H43B H 0.1936 -0.0179 0.3543 0.037 Uiso 1 1 calc R
C44 C 0.0680(3) -0.0188(2) 0.2728(3) 0.0284(9) Uani 1 1 d .
H44A H 0.0528 0.0031 0.2258 0.034 Uiso 1 1 calc R
H44B H 0.0175 0.0043 0.3156 0.034 Uiso 1 1 calc R
C45 C 0.0572(3) -0.1173(3) 0.2368(3) 0.0356(10) Uani 1 1 d .
H45A H 0.1059 -0.1399 0.1924 0.043 Uiso 1 1 calc R
H45B H 0.0760 -0.1389 0.2835 0.043 Uiso 1 1 calc R
C46 C -0.0495(4) -0.1510(3) 0.1982(3) 0.0425(11) Uani 1 1 d .
H46A H -0.0680 -0.1311 0.1509 0.051 Uiso 1 1 calc R
H46B H -0.0980 -0.1298 0.2420 0.051 Uiso 1 1 calc R
H46C H -0.0520 -0.2140 0.1764 0.051 Uiso 1 1 calc R
C47 C 0.1778(3) 0.1551(3) 0.3024(3) 0.0307(9) Uani 1 1 d .
H47A H 0.1091 0.1385 0.2706 0.037 Uiso 1 1 calc R
H47B H 0.2294 0.1353 0.2602 0.037 Uiso 1 1 calc R
C48 C 0.1880(3) 0.2521(3) 0.3426(3) 0.0344(10) Uani 1 1 d .
H48A H 0.2526 0.2696 0.3806 0.041 Uiso 1 1 calc R
H48B H 0.1300 0.2737 0.3779 0.041 Uiso 1 1 calc R
C49 C 0.1886(4) 0.2910(3) 0.2739(3) 0.0484(13) Uani 1 1 d .
H49A H 0.2504 0.2733 0.2424 0.058 Uiso 1 1 calc R
H49B H 0.1276 0.2677 0.2324 0.058 Uiso 1 1 calc R
C50 C 0.1878(5) 0.3871(3) 0.3086(3) 0.0549(14) Uani 1 1 d .
H50A H 0.2486 0.4108 0.3489 0.066 Uiso 1 1 calc R
H50B H 0.1257 0.4052 0.3384 0.066 Uiso 1 1 calc R
H50C H 0.1885 0.4084 0.2612 0.066 Uiso 1 1 calc R
C51 C 0.9073(3) 0.4133(2) 1.2042(3) 0.0302(9) Uani 1 1 d .
H51A H 0.9038 0.4074 1.2606 0.036 Uiso 1 1 calc R
H51B H 0.9700 0.3854 1.1799 0.036 Uiso 1 1 calc R
C52 C 0.9189(3) 0.5078(2) 1.2188(3) 0.0315(9) Uani 1 1 d .
H52A H 0.8591 0.5375 1.2468 0.038 Uiso 1 1 calc R
H52B H 0.9202 0.5150 1.1628 0.038 Uiso 1 1 calc R
C53 C 1.0171(3) 0.5486(3) 1.2748(3) 0.0344(10) Uani 1 1 d .
H53A H 1.0206 0.5335 1.3269 0.041 Uiso 1 1 calc R
H53B H 1.0770 0.5246 1.2429 0.041 Uiso 1 1 calc R
C54 C 1.0233(4) 0.6455(3) 1.3013(3) 0.0423(11) Uani 1 1 d .
H54A H 1.0304 0.6608 1.2507 0.051 Uiso 1 1 calc R
H54B H 1.0829 0.6694 1.3430 0.051 Uiso 1 1 calc R
H54C H 0.9606 0.6691 1.3274 0.051 Uiso 1 1 calc R
C55 C 0.7176(3) 0.3984(3) 1.1883(3) 0.0308(9) Uani 1 1 d .
H55A H 0.7193 0.3886 1.2432 0.037 Uiso 1 1 calc R
H55B H 0.7184 0.4613 1.2021 0.037 Uiso 1 1 calc R
C56 C 0.6177(3) 0.3589(3) 1.1358(3) 0.0399(11) Uani 1 1 d .
H56A H 0.6122 0.3731 1.0832 0.048 Uiso 1 1 calc R
H56B H 0.6181 0.2956 1.1181 0.048 Uiso 1 1 calc R
C57 C 0.5258(4) 0.3907(3) 1.1850(3) 0.0475(12) Uani 1 1 d .
H57A H 0.5283 0.4543 1.2058 0.057 Uiso 1 1 calc R
H57B H 0.5300 0.3737 1.2359 0.057 Uiso 1 1 calc R
C58 C 0.4244(4) 0.3569(4) 1.1335(4) 0.0577(15) Uani 1 1 d .
H58A H 0.4209 0.2940 1.1131 0.069 Uiso 1 1 calc R
H58B H 0.4181 0.3756 1.0843 0.069 Uiso 1 1 calc R
H58C H 0.3683 0.3793 1.1698 0.069 Uiso 1 1 calc R
C59 C 0.8243(3) 0.2689(2) 1.1304(3) 0.0308(9) Uani 1 1 d .
H59A H 0.7688 0.2362 1.0867 0.037 Uiso 1 1 calc R
H59B H 0.8903 0.2509 1.1058 0.037 Uiso 1 1 calc R
C60 C 0.8195(4) 0.2426(3) 1.2077(3) 0.0375(10) Uani 1 1 d .
H60A H 0.7489 0.2484 1.2260 0.045 Uiso 1 1 calc R
H60B H 0.8665 0.2811 1.2559 0.045 Uiso 1 1 calc R
C61 C 0.8501(4) 0.1495(3) 1.1857(3) 0.0375(10) Uani 1 1 d .
H61A H 0.8061 0.1122 1.1347 0.045 Uiso 1 1 calc R
H61B H 0.9220 0.1451 1.1705 0.045 Uiso 1 1 calc R
C62 C 0.8409(4) 0.1170(3) 1.2575(3) 0.0463(12) Uani 1 1 d .
H62A H 0.7696 0.1200 1.2723 0.056 Uiso 1 1 calc R
H62B H 0.8859 0.1525 1.3077 0.056 Uiso 1 1 calc R
H62C H 0.8611 0.0571 1.2394 0.056 Uiso 1 1 calc R
C63 C 0.8099(3) 0.3746(3) 1.0588(2) 0.0297(9) Uani 1 1 d .
H63A H 0.7922 0.4344 1.0671 0.036 Uiso 1 1 calc R
H63B H 0.7535 0.3360 1.0210 0.036 Uiso 1 1 calc R
C64 C 0.9078(4) 0.3557(3) 1.0125(3) 0.0372(10) Uani 1 1 d .
H64A H 0.9295 0.2975 1.0066 0.045 Uiso 1 1 calc R
H64B H 0.9636 0.3979 1.0461 0.045 Uiso 1 1 calc R
C65 C 0.8868(5) 0.3616(4) 0.9230(4) 0.075(2) Uani 1 1 d .
H65A H 0.9508 0.3490 0.8937 0.090 Uiso 1 1 calc R
H65B H 0.8346 0.3158 0.8893 0.090 Uiso 1 1 calc R
C66 C 0.8515(5) 0.4435(5) 0.9206(4) 0.084(2) Uani 1 1 d .
H66A H 0.9040 0.4892 0.9507 0.101 Uiso 1 1 calc R
H66B H 0.7876 0.4569 0.9488 0.101 Uiso 1 1 calc R
H66C H 0.8391 0.4393 0.8609 0.101 Uiso 1 1 calc R
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
O2 Ru1 O4 86.92(10) . .
O2 Ru1 O3 93.60(10) . .
O4 Ru1 O3 92.76(11) . .
O2 Ru1 O1 83.17(10) . .
O4 Ru1 O1 87.73(10) . .
O3 Ru1 O1 176.70(10) . .
O2 Ru1 O5 90.77(10) . .
O4 Ru1 O5 177.49(10) . .
O3 Ru1 O5 88.35(11) . .
O1 Ru1 O5 91.03(11) . .
O2 Ru1 O6 177.94(10) . .
O4 Ru1 O6 91.77(10) . .
O3 Ru1 O6 88.05(10) . .
O1 Ru1 O6 95.20(10) . .
O5 Ru1 O6 90.52(10) . .
O10 Ru2 O12 88.25(10) . .
O10 Ru2 O11 94.61(10) . .
O12 Ru2 O11 95.10(11) . .
O10 Ru2 O14 177.60(10) . .
O12 Ru2 O14 89.97(11) . .
O11 Ru2 O14 87.15(10) . .
O10 Ru2 O13 90.49(10) . .
O12 Ru2 O13 177.37(10) . .
O11 Ru2 O13 87.31(11) . .
O14 Ru2 O13 91.22(10) . .
O10 Ru2 O9 82.68(10) . .
O12 Ru2 O9 85.43(10) . .
O11 Ru2 O9 177.23(10) . .
O14 Ru2 O9 95.58(10) . .
O13 Ru2 O9 92.12(10) . .
C1 O1 Ru1 109.1(2) . .
C2 O2 Ru1 111.4(2) . .
C9 O3 Ru1 123.3(3) . .
C11 O4 Ru1 122.0(3) . .
C14 O5 Ru1 125.3(3) . .
C16 O6 Ru1 124.7(3) . .
C7 O7 C6 122.1(3) . .
C18 O9 Ru2 107.8(2) . .
C19 O10 Ru2 109.8(2) . .
C28 O11 Ru2 121.1(3) . .
C26 O12 Ru2 122.3(3) . .
C31 O13 Ru2 123.7(2) . .
C33 O14 Ru2 123.8(2) . .
C24 O15 C23 122.5(3) . .
C47 N1 C43 108.7(3) . .
C47 N1 C39 109.1(3) . .
C43 N1 C39 111.8(3) . .
C47 N1 C35 110.7(3) . .
C43 N1 C35 108.1(3) . .
C39 N1 C35 108.5(3) . .
C51 N2 C63 111.9(3) . .
C51 N2 C55 108.8(3) . .
C63 N2 C55 108.7(3) . .
C51 N2 C59 108.1(3) . .
C63 N2 C59 108.1(3) . .
C55 N2 C59 111.4(3) . .
O1 C1 C6 123.9(3) . .
O1 C1 C2 118.7(3) . .
C6 C1 C2 117.3(3) . .
O2 C2 C3 122.7(3) . .
O2 C2 C1 116.6(3) . .
C3 C2 C1 120.7(3) . .
C4 C3 C2 120.4(3) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 119.6(3) . .
C3 C4 C7 121.3(3) . 2_566
C5 C4 C7 119.1(3) . 2_566
C6 C5 C4 120.2(3) . .
C6 C5 C5 119.7(4) . 2_566
C4 C5 C5 120.1(4) . 2_566
C5 C6 C1 121.8(3) . .
C5 C6 O7 120.6(3) . .
C1 C6 O7 117.6(3) . .
O8 C7 O7 116.2(3) . .
O8 C7 C4 125.3(3) . 2_566
O7 C7 C4 118.5(3) . 2_566
C9 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C9 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O3 C9 C10 125.6(4) . .
O3 C9 C8 115.2(4) . .
C10 C9 C8 119.1(4) . .
C11 C10 C9 127.3(4) . .
C11 C10 H10 116.4 . .
C9 C10 H10 116.4 . .
O4 C11 C10 125.8(4) . .
O4 C11 C12 114.4(4) . .
C10 C11 C12 119.7(4) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C14 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O5 C14 C15 126.0(4) . .
O5 C14 C13 114.9(4) . .
C15 C14 C13 119.1(4) . .
C14 C15 C16 127.0(4) . .
C14 C15 H15 116.5 . .
C16 C15 H15 116.5 . .
O6 C16 C15 126.1(4) . .
O6 C16 C17 116.0(4) . .
C15 C16 C17 117.9(4) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O9 C18 C23 123.8(3) . .
O9 C18 C19 118.8(3) . .
C23 C18 C19 117.4(3) . .
O10 C19 C20 123.0(3) . .
O10 C19 C18 116.3(3) . .
C20 C19 C18 120.7(3) . .
C21 C20 C19 120.4(3) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C20 C21 C22 119.6(3) . .
C20 C21 C24 121.4(3) . 2_757
C22 C21 C24 118.9(3) . 2_757
C23 C22 C22 119.9(4) . 2_757
C23 C22 C21 119.6(3) . .
C22 C22 C21 120.5(4) 2_757 .
C22 C23 C18 122.2(3) . .
C22 C23 O15 120.2(3) . .
C18 C23 O15 117.6(3) . .
O16 C24 O15 115.9(3) . .
O16 C24 C21 126.2(4) . 2_757
O15 C24 C21 117.9(3) . 2_757
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 . .
O12 C26 C27 125.6(4) . .
O12 C26 C25 115.0(4) . .
C27 C26 C25 119.3(4) . .
C26 C27 C28 128.6(4) . .
C26 C27 H27 115.7 . .
C28 C27 H27 115.7 . .
O11 C28 C27 126.6(4) . .
O11 C28 C29 115.1(4) . .
C27 C28 C29 118.3(4) . .
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 H30A 109.5 . .
C31 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C31 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O13 C31 C32 126.2(4) . .
O13 C31 C30 115.1(4) . .
C32 C31 C30 118.7(4) . .
C33 C32 C31 127.1(4) . .
C33 C32 H32 116.5 . .
C31 C32 H32 116.5 . .
O14 C33 C32 125.8(4) . .
O14 C33 C34 114.4(4) . .
C32 C33 C34 119.8(4) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C36 C35 N1 117.3(3) . .
C36 C35 H35A 108.0 . .
N1 C35 H35A 108.0 . .
C36 C35 H35B 108.0 . .
N1 C35 H35B 108.0 . .
H35A C35 H35B 107.2 . .
C35 C36 C37 111.0(4) . .
C35 C36 H36A 109.4 . .
C37 C36 H36A 109.4 . .
C35 C36 H36B 109.4 . .
C37 C36 H36B 109.4 . .
H36A C36 H36B 108.0 . .
C38 C37 C36 113.5(4) . .
C38 C37 H37A 108.9 . .
C36 C37 H37A 108.9 . .
C38 C37 H37B 108.9 . .
C36 C37 H37B 108.9 . .
H37A C37 H37B 107.7 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C40 C39 N1 115.1(3) . .
C40 C39 H39A 108.5 . .
N1 C39 H39A 108.5 . .
C40 C39 H39B 108.5 . .
N1 C39 H39B 108.5 . .
H39A C39 H39B 107.5 . .
C41 C40 C39 111.4(4) . .
C41 C40 H40A 109.4 . .
C39 C40 H40A 109.4 . .
C41 C40 H40B 109.4 . .
C39 C40 H40B 109.4 . .
H40A C40 H40B 108.0 . .
C42 C41 C40 114.3(4) . .
C42 C41 H41A 108.7 . .
C40 C41 H41A 108.7 . .
C42 C41 H41B 108.7 . .
C40 C41 H41B 108.7 . .
H41A C41 H41B 107.6 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 C43 N1 116.1(3) . .
C44 C43 H43A 108.3 . .
N1 C43 H43A 108.3 . .
C44 C43 H43B 108.3 . .
N1 C43 H43B 108.3 . .
H43A C43 H43B 107.4 . .
C43 C44 C45 111.2(3) . .
C43 C44 H44A 109.4 . .
C45 C44 H44A 109.4 . .
C43 C44 H44B 109.4 . .
C45 C44 H44B 109.4 . .
H44A C44 H44B 108.0 . .
C46 C45 C44 112.9(4) . .
C46 C45 H45A 109.0 . .
C44 C45 H45A 109.0 . .
C46 C45 H45B 109.0 . .
C44 C45 H45B 109.0 . .
H45A C45 H45B 107.8 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
N1 C47 C48 115.1(3) . .
N1 C47 H47A 108.5 . .
C48 C47 H47A 108.5 . .
N1 C47 H47B 108.5 . .
C48 C47 H47B 108.5 . .
H47A C47 H47B 107.5 . .
C47 C48 C49 110.4(4) . .
C47 C48 H48A 109.6 . .
C49 C48 H48A 109.6 . .
C47 C48 H48B 109.6 . .
C49 C48 H48B 109.6 . .
H48A C48 H48B 108.1 . .
C50 C49 C48 113.4(4) . .
C50 C49 H49A 108.9 . .
C48 C49 H49A 108.9 . .
C50 C49 H49B 108.9 . .
C48 C49 H49B 108.9 . .
H49A C49 H49B 107.7 . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C52 C51 N2 116.3(3) . .
C52 C51 H51A 108.2 . .
N2 C51 H51A 108.2 . .
C52 C51 H51B 108.2 . .
N2 C51 H51B 108.2 . .
H51A C51 H51B 107.4 . .
C51 C52 C53 111.3(3) . .
C51 C52 H52A 109.4 . .
C53 C52 H52A 109.4 . .
C51 C52 H52B 109.4 . .
C53 C52 H52B 109.4 . .
H52A C52 H52B 108.0 . .
C54 C53 C52 112.5(4) . .
C54 C53 H53A 109.1 . .
C52 C53 H53A 109.1 . .
C54 C53 H53B 109.1 . .
C52 C53 H53B 109.1 . .
H53A C53 H53B 107.8 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 C55 N2 115.4(3) . .
C56 C55 H55A 108.4 . .
N2 C55 H55A 108.4 . .
C56 C55 H55B 108.4 . .
N2 C55 H55B 108.4 . .
H55A C55 H55B 107.5 . .
C57 C56 C55 112.1(4) . .
C57 C56 H56A 109.2 . .
C55 C56 H56A 109.2 . .
C57 C56 H56B 109.2 . .
C55 C56 H56B 109.2 . .
H56A C56 H56B 107.9 . .
C56 C57 C58 113.9(4) . .
C56 C57 H57A 108.8 . .
C58 C57 H57A 108.8 . .
C56 C57 H57B 108.8 . .
C58 C57 H57B 108.8 . .
H57A C57 H57B 107.7 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C60 C59 N2 116.9(3) . .
C60 C59 H59A 108.1 . .
N2 C59 H59A 108.1 . .
C60 C59 H59B 108.1 . .
N2 C59 H59B 108.1 . .
H59A C59 H59B 107.3 . .
C59 C60 C61 110.3(3) . .
C59 C60 H60A 109.6 . .
C61 C60 H60A 109.6 . .
C59 C60 H60B 109.6 . .
C61 C60 H60B 109.6 . .
H60A C60 H60B 108.1 . .
C62 C61 C60 113.4(4) . .
C62 C61 H61A 108.9 . .
C60 C61 H61A 108.9 . .
C62 C61 H61B 108.9 . .
C60 C61 H61B 108.9 . .
H61A C61 H61B 107.7 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
N2 C63 C64 115.8(3) . .
N2 C63 H63A 108.3 . .
C64 C63 H63A 108.3 . .
N2 C63 H63B 108.3 . .
C64 C63 H63B 108.3 . .
H63A C63 H63B 107.4 . .
C63 C64 C65 109.0(4) . .
C63 C64 H64A 109.9 . .
C65 C64 H64A 109.9 . .
C63 C64 H64B 109.9 . .
C65 C64 H64B 109.9 . .
H64A C64 H64B 108.3 . .
C66 C65 C64 116.6(5) . .
C66 C65 H65A 108.1 . .
C64 C65 H65A 108.1 . .
C66 C65 H65B 108.1 . .
C64 C65 H65B 108.1 . .
H65A C65 H65B 107.3 . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O2 1.992(3) .
Ru1 O4 2.007(3) .
Ru1 O3 2.027(3) .
Ru1 O1 2.037(3) .
Ru1 O5 2.045(3) .
Ru1 O6 2.056(3) .
Ru2 O10 1.993(3) .
Ru2 O12 2.009(3) .
Ru2 O11 2.025(3) .
Ru2 O14 2.029(3) .
Ru2 O13 2.040(3) .
Ru2 O9 2.046(3) .
O1 C1 1.326(4) .
O2 C2 1.330(4) .
O3 C9 1.266(5) .
O4 C11 1.296(5) .
O5 C14 1.280(5) .
O6 C16 1.278(5) .
O7 C7 1.388(4) .
O7 C6 1.398(4) .
O8 C7 1.211(4) .
O9 C18 1.323(4) .
O10 C19 1.339(4) .
O11 C28 1.277(5) .
O12 C26 1.287(5) .
O13 C31 1.275(5) .
O14 C33 1.283(5) .
O15 C24 1.382(4) .
O15 C23 1.402(4) .
O16 C24 1.213(5) .
N1 C47 1.505(5) .
N1 C43 1.524(5) .
N1 C39 1.520(5) .
N1 C35 1.533(5) .
N2 C51 1.518(5) .
N2 C63 1.523(5) .
N2 C55 1.525(5) .
N2 C59 1.527(5) .
C1 C6 1.396(5) .
C1 C2 1.441(5) .
C2 C3 1.394(5) .
C3 C4 1.388(5) .
C3 H3 0.9500 .
C4 C5 1.411(5) .
C4 C7 1.462(5) 2_566
C5 C6 1.388(5) .
C5 C5 1.433(7) 2_566
C7 C4 1.462(5) 2_566
C8 C9 1.498(6) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.399(6) .
C10 C11 1.386(6) .
C10 H10 0.9500 .
C11 C12 1.509(6) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.512(6) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.380(6) .
C15 C16 1.399(6) .
C15 H15 0.9500 .
C16 C17 1.513(5) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C23 1.391(5) .
C18 C19 1.437(5) .
C19 C20 1.392(5) .
C20 C21 1.387(5) .
C20 H20 0.9500 .
C21 C22 1.416(5) .
C21 C24 1.464(5) 2_757
C22 C23 1.387(5) .
C22 C22 1.414(7) 2_757
C24 C21 1.464(5) 2_757
C25 C26 1.515(6) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.378(6) .
C27 C28 1.407(6) .
C27 H27 0.9500 .
C28 C29 1.496(6) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C31 1.518(6) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.390(6) .
C32 C33 1.383(6) .
C32 H32 0.9500 .
C33 C34 1.505(5) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C36 1.506(6) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.524(6) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.492(6) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.516(5) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.512(6) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.509(7) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 C44 1.513(5) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.533(5) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.501(6) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.510(5) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 C49 1.513(6) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.497(6) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C52 1.509(5) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C53 1.523(6) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.514(6) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.515(6) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 C57 1.505(6) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C58 1.507(7) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.516(6) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C61 1.530(6) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 C62 1.499(6) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C64 1.525(6) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 C65 1.543(7) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 C66 1.463(8) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
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
O2 Ru1 O1 C1 7.7(2) . .
O4 Ru1 O1 C1 -79.5(2) . .
O3 Ru1 O1 C1 19.1(19) . .
O5 Ru1 O1 C1 98.3(2) . .
O6 Ru1 O1 C1 -171.1(2) . .
O4 Ru1 O2 C2 79.3(2) . .
O3 Ru1 O2 C2 171.8(2) . .
O1 Ru1 O2 C2 -8.8(2) . .
O5 Ru1 O2 C2 -99.8(2) . .
O6 Ru1 O2 C2 29(3) . .
O2 Ru1 O3 C9 -73.4(3) . .
O4 Ru1 O3 C9 13.7(3) . .
O1 Ru1 O3 C9 -84.8(18) . .
O5 Ru1 O3 C9 -164.1(3) . .
O6 Ru1 O3 C9 105.3(3) . .
O2 Ru1 O4 C11 74.7(3) . .
O3 Ru1 O4 C11 -18.8(3) . .
O1 Ru1 O4 C11 158.0(3) . .
O5 Ru1 O4 C11 97(2) . .
O6 Ru1 O4 C11 -106.9(3) . .
O2 Ru1 O5 C14 171.7(3) . .
O4 Ru1 O5 C14 149(2) . .
O3 Ru1 O5 C14 -94.7(3) . .
O1 Ru1 O5 C14 88.6(3) . .
O6 Ru1 O5 C14 -6.6(3) . .
O2 Ru1 O6 C16 -123(3) . .
O4 Ru1 O6 C16 -173.7(3) . .
O3 Ru1 O6 C16 93.6(3) . .
O1 Ru1 O6 C16 -85.8(3) . .
O5 Ru1 O6 C16 5.3(3) . .
O10 Ru2 O9 C18 -17.4(2) . .
O12 Ru2 O9 C18 71.4(2) . .
O11 Ru2 O9 C18 -30(2) . .
O14 Ru2 O9 C18 160.9(2) . .
O13 Ru2 O9 C18 -107.6(2) . .
O12 Ru2 O10 C19 -66.8(2) . .
O11 Ru2 O10 C19 -161.8(2) . .
O14 Ru2 O10 C19 -25(3) . .
O13 Ru2 O10 C19 110.8(2) . .
O9 Ru2 O10 C19 18.8(2) . .
O10 Ru2 O11 C28 84.6(3) . .
O12 Ru2 O11 C28 -4.0(3) . .
O14 Ru2 O11 C28 -93.7(3) . .
O13 Ru2 O11 C28 174.9(3) . .
O9 Ru2 O11 C28 97(2) . .
O10 Ru2 O12 C26 -85.9(3) . .
O11 Ru2 O12 C26 8.6(3) . .
O14 Ru2 O12 C26 95.7(3) . .
O13 Ru2 O12 C26 -147(2) . .
O9 Ru2 O12 C26 -168.7(3) . .
O10 Ru2 O13 C31 168.7(3) . .
O12 Ru2 O13 C31 -130(2) . .
O11 Ru2 O13 C31 74.1(3) . .
O14 Ru2 O13 C31 -13.0(3) . .
O9 Ru2 O13 C31 -108.6(3) . .
O10 Ru2 O14 C33 151(2) . .
O12 Ru2 O14 C33 -166.6(3) . .
O11 Ru2 O14 C33 -71.5(3) . .
O13 Ru2 O14 C33 15.7(3) . .
O9 Ru2 O14 C33 108.0(3) . .
Ru1 O1 C1 C6 176.3(3) . .
Ru1 O1 C1 C2 -5.5(4) . .
Ru1 O2 C2 C3 -174.4(3) . .
Ru1 O2 C2 C1 8.4(4) . .
O1 C1 C2 O2 -1.9(5) . .
C6 C1 C2 O2 176.4(3) . .
O1 C1 C2 C3 -179.2(3) . .
C6 C1 C2 C3 -0.9(5) . .
O2 C2 C3 C4 -176.0(3) . .
C1 C2 C3 C4 1.1(5) . .
C2 C3 C4 C5 -0.4(5) . .
C2 C3 C4 C7 179.6(3) . 2_566
C3 C4 C5 C6 -0.5(5) . .
C7 C4 C5 C6 179.5(3) 2_566 .
C3 C4 C5 C5 179.2(4) . 2_566
C7 C4 C5 C5 -0.8(6) 2_566 2_566
C4 C5 C6 C1 0.7(5) . .
C5 C5 C6 C1 -179.0(4) 2_566 .
C4 C5 C6 O7 179.9(3) . .
C5 C5 C6 O7 0.2(6) 2_566 .
O1 C1 C6 C5 178.2(3) . .
C2 C1 C6 C5 -0.1(5) . .
O1 C1 C6 O7 -1.1(5) . .
C2 C1 C6 O7 -179.3(3) . .
C7 O7 C6 C5 -0.8(5) . .
C7 O7 C6 C1 178.5(3) . .
C6 O7 C7 O8 180.0(3) . .
C6 O7 C7 C4 1.3(5) . 2_566
Ru1 O3 C9 C10 -3.7(6) . .
Ru1 O3 C9 C8 177.8(3) . .
O3 C9 C10 C11 -7.6(7) . .
C8 C9 C10 C11 170.8(4) . .
Ru1 O4 C11 C10 14.9(5) . .
Ru1 O4 C11 C12 -166.0(3) . .
C9 C10 C11 O4 1.2(7) . .
C9 C10 C11 C12 -177.9(4) . .
Ru1 O5 C14 C15 4.4(6) . .
Ru1 O5 C14 C13 -176.1(3) . .
O5 C14 C15 C16 1.9(7) . .
C13 C14 C15 C16 -177.5(4) . .
Ru1 O6 C16 C15 -1.6(6) . .
Ru1 O6 C16 C17 179.6(3) . .
C14 C15 C16 O6 -3.5(7) . .
C14 C15 C16 C17 175.3(4) . .
Ru2 O9 C18 C23 -169.2(3) . .
Ru2 O9 C18 C19 13.5(4) . .
Ru2 O10 C19 C20 165.0(3) . .
Ru2 O10 C19 C18 -16.9(4) . .
O9 C18 C19 O10 2.0(5) . .
C23 C18 C19 O10 -175.4(3) . .
O9 C18 C19 C20 -179.8(3) . .
C23 C18 C19 C20 2.7(5) . .
O10 C19 C20 C21 177.7(3) . .
C18 C19 C20 C21 -0.3(5) . .
C19 C20 C21 C22 -1.4(5) . .
C19 C20 C21 C24 178.6(3) . 2_757
C20 C21 C22 C23 0.7(5) . .
C24 C21 C22 C23 -179.3(3) 2_757 .
C20 C21 C22 C22 -179.8(4) . 2_757
C24 C21 C22 C22 0.2(6) 2_757 2_757
C22 C22 C23 C18 -177.7(4) 2_757 .
C21 C22 C23 C18 1.8(5) . .
C22 C22 C23 O15 0.8(6) 2_757 .
C21 C22 C23 O15 -179.7(3) . .
O9 C18 C23 C22 179.3(3) . .
C19 C18 C23 C22 -3.5(5) . .
O9 C18 C23 O15 0.7(5) . .
C19 C18 C23 O15 178.0(3) . .
C24 O15 C23 C22 -0.3(5) . .
C24 O15 C23 C18 178.2(3) . .
C23 O15 C24 O16 -179.8(3) . .
C23 O15 C24 C21 -0.4(5) . 2_757
Ru2 O12 C26 C27 -7.3(5) . .
Ru2 O12 C26 C25 175.5(3) . .
O12 C26 C27 C28 -1.3(7) . .
C25 C26 C27 C28 175.9(4) . .
Ru2 O11 C28 C27 -2.2(5) . .
Ru2 O11 C28 C29 177.2(3) . .
C26 C27 C28 O11 6.9(7) . .
C26 C27 C28 C29 -172.5(4) . .
Ru2 O13 C31 C32 5.3(6) . .
Ru2 O13 C31 C30 -176.8(3) . .
O13 C31 C32 C33 5.8(7) . .
C30 C31 C32 C33 -171.9(4) . .
Ru2 O14 C33 C32 -11.1(6) . .
Ru2 O14 C33 C34 170.9(3) . .
C31 C32 C33 O14 -2.6(7) . .
C31 C32 C33 C34 175.4(4) . .
C47 N1 C35 C36 -49.1(4) . .
C43 N1 C35 C36 69.8(4) . .
C39 N1 C35 C36 -168.8(3) . .
N1 C35 C36 C37 -169.4(3) . .
C35 C36 C37 C38 -175.5(4) . .
C47 N1 C39 C40 170.8(3) . .
C43 N1 C39 C40 50.5(4) . .
C35 N1 C39 C40 -68.6(4) . .
N1 C39 C40 C41 176.0(4) . .
C39 C40 C41 C42 61.5(5) . .
C47 N1 C43 C44 -66.1(4) . .
C39 N1 C43 C44 54.4(4) . .
C35 N1 C43 C44 173.8(3) . .
N1 C43 C44 C45 -171.2(3) . .
C43 C44 C45 C46 177.4(4) . .
C43 N1 C47 C48 178.2(3) . .
C39 N1 C47 C48 56.1(4) . .
C35 N1 C47 C48 -63.2(4) . .
N1 C47 C48 C49 171.9(4) . .
C47 C48 C49 C50 174.1(4) . .
C63 N2 C51 C52 54.2(4) . .
C55 N2 C51 C52 -65.9(4) . .
C59 N2 C51 C52 173.1(3) . .
N2 C51 C52 C53 -177.1(3) . .
C51 C52 C53 C54 -171.6(3) . .
C51 N2 C55 C56 177.1(4) . .
C63 N2 C55 C56 55.0(4) . .
C59 N2 C55 C56 -63.9(5) . .
N2 C55 C56 C57 175.4(4) . .
C55 C56 C57 C58 176.7(4) . .
C51 N2 C59 C60 64.8(4) . .
C63 N2 C59 C60 -173.9(4) . .
C55 N2 C59 C60 -54.7(5) . .
N2 C59 C60 C61 -169.3(4) . .
C59 C60 C61 C62 -176.4(4) . .
C51 N2 C63 C64 51.4(4) . .
C55 N2 C63 C64 171.5(3) . .
C59 N2 C63 C64 -67.5(4) . .
N2 C63 C64 C65 175.1(4) . .
C63 C64 C65 C66 58.2(7) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168338525
