#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:01:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179089 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/51/4305141.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_4305141
loop_
_publ_author_name
'Céline Olivier'
'Euro Solari'
'Rosario Scopelliti'
'Kay Severin'
_publ_section_title
;
Breaking the Symmetry: Assembly of Cylindrical Nanostructures with
a C3-Symmetrical Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4454
_journal_page_last               4456
_journal_paper_doi               10.1021/ic8005508
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C96 H96 N12 O12 Ru6, 18(H2 O)'
_chemical_formula_sum            'C96 H132 N12 O30 Ru6'
_chemical_formula_weight         2540.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                95.57(6)
_cell_angle_beta                 101.51(5)
_cell_angle_gamma                113.79(4)
_cell_formula_units_Z            1
_cell_length_a                   10.730(2)
_cell_length_b                   12.726(8)
_cell_length_c                   22.642(16)
_cell_measurement_reflns_used    47
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      13.833
_cell_measurement_theta_min      3.371
_cell_volume                     2717(3)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_sigmaI/netI    0.0744
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29632
_diffrn_reflns_theta_full        22.46
_diffrn_reflns_theta_max         22.46
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10, Sheldrick G.M, 2003'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.094
_refine_diff_density_min         -2.165
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       0.0016(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         6857
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1316
_refine_ls_R_factor_gt           0.1105
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0406P)²+126.0494P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2607
_refine_ls_wR_factor_ref         0.2703
_reflns_number_gt                5464
_reflns_number_total             6857
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8005508-file002.cif
_cod_data_source_block           complex_8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305141
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.26528(16) -0.07133(13) 0.32359(8) 0.0447(5) Uani 1 1 d . . .
Ru2 Ru -0.19052(15) 0.36375(13) 0.28457(7) 0.0342(5) Uani 1 1 d . . .
Ru3 Ru 0.24808(14) 0.27761(11) 0.38752(6) 0.0241(4) Uani 1 1 d . . .
O1 O 0.0525(11) 0.1328(9) 0.3639(5) 0.034(3) Uani 1 1 d . . .
O2 O 0.2888(11) 0.1581(9) 0.3344(5) 0.027(3) Uani 1 1 d . . .
O3 O -0.2552(12) 0.0887(9) 0.3068(6) 0.038(3) Uani 1 1 d . . .
O4 O -0.3715(13) -0.1152(10) 0.2318(7) 0.056(4) Uani 1 1 d . . .
O5 O -0.0120(11) 0.3394(9) 0.3242(5) 0.033(3) Uani 1 1 d . . .
O6 O -0.0749(12) 0.4085(11) 0.2204(5) 0.039(3) Uani 1 1 d . . .
N1 N -0.0829(14) -0.0322(11) 0.2904(7) 0.040(4) Uani 1 1 d . . .
N2 N -0.2761(14) 0.1949(13) 0.2282(7) 0.035(4) Uani 1 1 d . . .
N3 N 0.1776(13) 0.3167(10) 0.3017(6) 0.023(3) Uani 1 1 d . . .
N4 N 0.2779(16) -0.0288(14) 0.1713(7) 0.053(5) Uani 1 1 d . . .
H4 H 0.2895 -0.0851 0.1509 0.063 Uiso 1 1 calc R . .
N5 N -0.374(4) -0.190(2) 0.0979(15) 0.137(12) Uani 1 1 d . . .
H5 H -0.3487 -0.2166 0.1304 0.165 Uiso 1 1 calc R . .
N6 N -0.031(3) 0.298(2) 0.0811(8) 0.085(7) Uani 1 1 d . . .
H6 H -0.1193 0.2846 0.0664 0.102 Uiso 1 1 calc R . .
C1 C 0.0422(18) 0.0548(15) 0.3186(7) 0.031(4) Uani 1 1 d U . .
C2 C 0.1665(18) 0.0660(15) 0.3017(7) 0.030(4) Uani 1 1 d U . .
C3 C 0.1644(18) -0.0137(15) 0.2544(8) 0.040(4) Uani 1 1 d U . .
C4 C 0.0272(18) -0.1093(16) 0.2260(8) 0.043(5) Uani 1 1 d U . .
H4A H 0.0191 -0.1692 0.1949 0.052 Uiso 1 1 calc R . .
C5 C -0.089(2) -0.1162(17) 0.2421(9) 0.046(5) Uani 1 1 d U . .
H5A H -0.1773 -0.1787 0.2208 0.055 Uiso 1 1 calc R . .
C6 C 0.293(2) -0.0142(17) 0.2396(8) 0.042(4) Uani 1 1 d U . .
H6A H 0.3098 -0.0791 0.2546 0.050 Uiso 1 1 calc R . .
H6B H 0.3758 0.0603 0.2608 0.050 Uiso 1 1 calc R . .
C7 C -0.2907(18) 0.0927(16) 0.2499(9) 0.039(5) Uani 1 1 d U . .
C8 C -0.3583(19) -0.0222(17) 0.2064(9) 0.044(5) Uani 1 1 d U . .
C9 C -0.403(2) -0.0271(18) 0.1455(10) 0.048(5) Uani 1 1 d U . .
C10 C -0.389(2) 0.080(2) 0.1249(10) 0.055(5) Uani 1 1 d U . .
H10 H -0.4236 0.0780 0.0827 0.066 Uiso 1 1 calc R . .
C11 C -0.322(2) 0.1862(18) 0.1678(10) 0.052(5) Uani 1 1 d U . .
H11 H -0.3101 0.2561 0.1529 0.062 Uiso 1 1 calc R . .
C12 C -0.471(2) -0.138(2) 0.0971(12) 0.080(8) Uani 1 1 d U . .
H12A H -0.5585 -0.1936 0.1055 0.096 Uiso 1 1 calc R . .
H12B H -0.4960 -0.1199 0.0561 0.096 Uiso 1 1 calc R . .
C13 C -0.325(4) -0.198(4) 0.0526(18) 0.140(12) Uani 1 1 d U . .
H13A H -0.4037 -0.2572 0.0192 0.169 Uiso 1 1 calc R . .
H13B H -0.2568 -0.2314 0.0645 0.169 Uiso 1 1 calc R . .
C14 C -0.254(4) -0.099(4) 0.0251(16) 0.102(8) Uani 1 1 d U . .
C15 C -0.285(3) -0.121(3) -0.0409(12) 0.081(7) Uani 1 1 d U . .
H15 H -0.3532 -0.1958 -0.0639 0.098 Uiso 1 1 calc R . .
C16 C -0.216(2) -0.033(2) -0.0721(10) 0.063(6) Uani 1 1 d U . .
C17 C -0.116(2) 0.078(2) -0.0361(9) 0.055(5) Uani 1 1 d U . .
H17 H -0.0709 0.1399 -0.0561 0.066 Uiso 1 1 calc R . .
C18 C -0.082(3) 0.098(3) 0.0281(12) 0.083(7) Uani 1 1 d U . .
C19 C -0.166(4) -0.002(3) 0.0571(13) 0.097(8) Uani 1 1 d U . .
H19 H -0.1493 0.0093 0.1006 0.117 Uiso 1 1 calc R . .
C20 C -0.242(2) -0.0567(18) -0.1406(9) 0.049(5) Uani 1 1 d U . .
H20A H -0.1571 -0.0573 -0.1507 0.059 Uiso 1 1 calc R . .
H20B H -0.3208 -0.1358 -0.1575 0.059 Uiso 1 1 calc R . .
C21 C 0.019(3) 0.215(3) 0.0643(12) 0.098(9) Uani 1 1 d U . .
H21A H 0.0708 0.2037 0.1026 0.118 Uiso 1 1 calc R . .
H21B H 0.0890 0.2507 0.0408 0.118 Uiso 1 1 calc R . .
C22 C 0.070(2) 0.4080(18) 0.1237(9) 0.050(5) Uani 1 1 d U . .
H22A H 0.0260 0.4628 0.1266 0.060 Uiso 1 1 calc R . .
H22B H 0.1545 0.4455 0.1084 0.060 Uiso 1 1 calc R . .
C23 C 0.0662(15) 0.3471(12) 0.2860(6) 0.017(3) Uani 1 1 d U . .
C24 C 0.0322(18) 0.3762(16) 0.2292(8) 0.036(4) Uani 1 1 d U . .
C25 C 0.1112(18) 0.3815(15) 0.1859(8) 0.035(4) Uani 1 1 d U . .
C26 C 0.2304(17) 0.3583(14) 0.2059(8) 0.032(4) Uani 1 1 d U . .
H26 H 0.2921 0.3654 0.1802 0.038 Uiso 1 1 calc R . .
C27 C 0.2585(17) 0.3261(14) 0.2608(7) 0.029(4) Uani 1 1 d U . .
H27 H 0.3378 0.3093 0.2713 0.035 Uiso 1 1 calc R . .
C28 C -0.160(2) -0.133(2) 0.3982(10) 0.055(5) Uani 1 1 d U . .
C29 C -0.272(2) -0.231(2) 0.3563(10) 0.059(5) Uani 1 1 d U . .
H29 H -0.2520 -0.2919 0.3389 0.070 Uiso 1 1 calc R . .
C30 C -0.413(2) -0.242(2) 0.3388(12) 0.074(7) Uani 1 1 d U . .
H30 H -0.4872 -0.3084 0.3103 0.088 Uiso 1 1 calc R . .
C31 C -0.438(2) -0.143(2) 0.3684(12) 0.066(6) Uani 1 1 d U . .
H31 H -0.5286 -0.1439 0.3595 0.080 Uiso 1 1 calc R . .
C32 C -0.322(3) -0.051(2) 0.4091(11) 0.066(6) Uani 1 1 d U . .
H32 H -0.3361 0.0125 0.4272 0.079 Uiso 1 1 calc R . .
C33 C -0.188(2) -0.0457(17) 0.4252(9) 0.049(5) Uani 1 1 d U . .
H33 H -0.1145 0.0185 0.4549 0.059 Uiso 1 1 calc R . .
C34 C -0.010(3) -0.122(3) 0.4118(13) 0.091(9) Uani 1 1 d U . .
H34A H 0.0563 -0.0396 0.4175 0.136 Uiso 1 1 calc R . .
H34B H 0.0000 -0.1682 0.3774 0.136 Uiso 1 1 calc R . .
H34C H 0.0098 -0.1513 0.4494 0.136 Uiso 1 1 calc R . .
C35 C -0.157(2) 0.4948(18) 0.3640(10) 0.050(5) Uani 1 1 d U . .
C36 C -0.175(2) 0.5407(18) 0.3105(10) 0.052(5) Uani 1 1 d U . .
H36 H -0.1082 0.6158 0.3083 0.062 Uiso 1 1 calc R . .
C37 C -0.295(3) 0.474(2) 0.2594(11) 0.063(6) Uani 1 1 d U . .
H37 H -0.3119 0.5010 0.2223 0.076 Uiso 1 1 calc R . .
C38 C -0.386(3) 0.3647(19) 0.2685(12) 0.067(7) Uani 1 1 d U . .
H38 H -0.4616 0.3168 0.2337 0.081 Uiso 1 1 calc R . .
C39 C -0.383(2) 0.322(2) 0.3147(12) 0.070(7) Uani 1 1 d U . .
H39 H -0.4573 0.2499 0.3163 0.084 Uiso 1 1 calc R . .
C40 C -0.263(2) 0.3851(17) 0.3662(10) 0.046(5) Uani 1 1 d U . .
H40 H -0.2534 0.3529 0.4021 0.055 Uiso 1 1 calc R . .
C41 C -0.033(2) 0.559(2) 0.4169(11) 0.071(7) Uani 1 1 d U . .
H41A H 0.0476 0.6074 0.4024 0.107 Uiso 1 1 calc R . .
H41B H -0.0107 0.5030 0.4383 0.107 Uiso 1 1 calc R . .
H41C H -0.0538 0.6093 0.4452 0.107 Uiso 1 1 calc R . .
C42 C 0.3393(19) 0.4650(16) 0.4248(7) 0.037(4) Uani 1 1 d U . .
C43 C 0.4491(18) 0.4329(15) 0.4220(7) 0.034(4) Uani 1 1 d U . .
H43 H 0.5174 0.4728 0.4011 0.041 Uiso 1 1 calc R . .
C44 C 0.4576(18) 0.3397(13) 0.4507(7) 0.029(4) Uani 1 1 d U . .
H44 H 0.5334 0.3197 0.4492 0.035 Uiso 1 1 calc R . .
C45 C 0.3563(17) 0.2762(15) 0.4813(7) 0.030(4) Uani 1 1 d U . .
H45 H 0.3645 0.2155 0.5007 0.036 Uiso 1 1 calc R . .
C46 C 0.240(2) 0.3066(16) 0.4821(8) 0.040(4) Uani 1 1 d U . .
H46 H 0.1640 0.2611 0.4980 0.048 Uiso 1 1 calc R . .
C47 C 0.242(2) 0.4102(15) 0.4574(8) 0.039(4) Uani 1 1 d U . .
H47 H 0.1770 0.4400 0.4639 0.047 Uiso 1 1 calc R . .
C48 C 0.324(2) 0.5562(18) 0.3924(8) 0.050(5) Uani 1 1 d U . .
H48A H 0.2240 0.5350 0.3754 0.075 Uiso 1 1 calc R . .
H48B H 0.3708 0.5625 0.3589 0.075 Uiso 1 1 calc R . .
H48C H 0.3683 0.6315 0.4212 0.075 Uiso 1 1 calc R . .
O7 O -0.0908(14) 0.2353(11) 0.4262(6) 0.052(4) Uani 1 1 d . . .
O8 O 0.6904(14) 0.2223(13) 0.4796(7) 0.058(4) Uani 1 1 d . . .
O9 O 0.1547(15) -0.2802(12) 0.1341(6) 0.057(4) Uani 1 1 d . . .
O10 O -0.7424(15) -0.1738(14) 0.4049(7) 0.069(4) Uani 1 1 d . . .
O11 O -0.5767(18) 0.0569(14) 0.4086(7) 0.075(5) Uani 1 1 d . . .
O12 O -0.113(2) 0.3938(15) -0.0160(6) 0.089(6) Uani 1 1 d . . .
O13 O -0.6293(19) -0.3005(16) 0.2154(9) 0.099(6) Uani 1 1 d . . .
O14 O 0.179(2) 0.6852(18) 0.2866(9) 0.104(6) Uani 1 1 d . . .
O15 O -0.073(3) 0.5965(19) 0.1762(17) 0.194(16) Uani 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
_geom_angle_publ_flag
O4 Ru1 O3 78.7(5) . . ?
O4 Ru1 N1 84.5(6) . . ?
O3 Ru1 N1 87.2(5) . . ?
O4 Ru1 C32 134.8(8) . . ?
O3 Ru1 C32 93.2(7) . . ?
N1 Ru1 C32 140.0(8) . . ?
O4 Ru1 C31 102.6(8) . . ?
O3 Ru1 C31 106.3(7) . . ?
N1 Ru1 C31 165.6(7) . . ?
C32 Ru1 C31 37.0(9) . . ?
O4 Ru1 C29 109.3(7) . . ?
O3 Ru1 C29 171.3(7) . . ?
N1 Ru1 C29 96.9(7) . . ?
C32 Ru1 C29 78.7(8) . . ?
C31 Ru1 C29 69.0(8) . . ?
O4 Ru1 C30 90.6(8) . . ?
O3 Ru1 C30 141.6(7) . . ?
N1 Ru1 C30 128.7(7) . . ?
C32 Ru1 C30 68.6(9) . . ?
C31 Ru1 C30 40.0(9) . . ?
C29 Ru1 C30 37.7(8) . . ?
O4 Ru1 C28 143.3(7) . . ?
O3 Ru1 C28 136.2(7) . . ?
N1 Ru1 C28 86.2(7) . . ?
C32 Ru1 C28 66.2(8) . . ?
C31 Ru1 C28 80.6(8) . . ?
C29 Ru1 C28 37.1(8) . . ?
C30 Ru1 C28 68.3(9) . . ?
O4 Ru1 C33 169.6(7) . . ?
O3 Ru1 C33 105.7(6) . . ?
N1 Ru1 C33 105.0(7) . . ?
C32 Ru1 C33 36.8(8) . . ?
C31 Ru1 C33 67.2(9) . . ?
C29 Ru1 C33 65.9(8) . . ?
C30 Ru1 C33 80.1(9) . . ?
C28 Ru1 C33 36.2(7) . . ?
C38 Ru2 O6 119.3(8) . . ?
C38 Ru2 O5 161.8(8) . . ?
O6 Ru2 O5 78.7(4) . . ?
C38 Ru2 N2 91.6(7) . . ?
O6 Ru2 N2 82.2(5) . . ?
O5 Ru2 N2 88.6(4) . . ?
C38 Ru2 C37 38.5(9) . . ?
O6 Ru2 C37 92.1(7) . . ?
O5 Ru2 C37 152.3(8) . . ?
N2 Ru2 C37 116.3(8) . . ?
C38 Ru2 C40 64.7(9) . . ?
O6 Ru2 C40 158.7(6) . . ?
O5 Ru2 C40 99.4(6) . . ?
N2 Ru2 C40 119.1(7) . . ?
C37 Ru2 C40 79.7(8) . . ?
C38 Ru2 C39 33.4(9) . . ?
O6 Ru2 C39 152.2(9) . . ?
O5 Ru2 C39 128.4(9) . . ?
N2 Ru2 C39 91.7(7) . . ?
C37 Ru2 C39 66.2(10) . . ?
C40 Ru2 C39 38.5(8) . . ?
C38 Ru2 C35 79.0(8) . . ?
O6 Ru2 C35 121.0(6) . . ?
O5 Ru2 C35 93.8(6) . . ?
N2 Ru2 C35 156.7(7) . . ?
C37 Ru2 C35 68.4(8) . . ?
C40 Ru2 C35 37.6(7) . . ?
C39 Ru2 C35 68.7(8) . . ?
C38 Ru2 C36 67.8(8) . . ?
O6 Ru2 C36 94.4(6) . . ?
O5 Ru2 C36 115.7(7) . . ?
N2 Ru2 C36 154.4(7) . . ?
C37 Ru2 C36 38.2(8) . . ?
C40 Ru2 C36 67.1(7) . . ?
C39 Ru2 C36 79.5(8) . . ?
C35 Ru2 C36 37.3(7) . . ?
O1 Ru3 O2 79.2(4) . . ?
O1 Ru3 N3 85.4(5) . . ?
O2 Ru3 N3 84.1(4) . . ?
O1 Ru3 C46 91.3(6) . . ?
O2 Ru3 C46 134.3(5) . . ?
N3 Ru3 C46 140.2(6) . . ?
O1 Ru3 C42 139.0(6) . . ?
O2 Ru3 C42 139.8(6) . . ?
N3 Ru3 C42 86.9(5) . . ?
C46 Ru3 C42 70.0(7) . . ?
O1 Ru3 C43 173.8(5) . . ?
O2 Ru3 C43 105.7(5) . . ?
N3 Ru3 C43 98.8(6) . . ?
C46 Ru3 C43 82.6(7) . . ?
C42 Ru3 C43 37.6(6) . . ?
O1 Ru3 C44 139.6(5) . . ?
O2 Ru3 C44 89.7(5) . . ?
N3 Ru3 C44 132.4(6) . . ?
C46 Ru3 C44 69.1(7) . . ?
C42 Ru3 C44 68.3(6) . . ?
C43 Ru3 C44 38.3(6) . . ?
O1 Ru3 C45 106.4(6) . . ?
O2 Ru3 C45 101.2(5) . . ?
N3 Ru3 C45 167.7(6) . . ?
C46 Ru3 C45 38.8(6) . . ?
C42 Ru3 C45 81.9(6) . . ?
C43 Ru3 C45 69.2(6) . . ?
C44 Ru3 C45 37.7(6) . . ?
O1 Ru3 C47 107.8(6) . . ?
O2 Ru3 C47 168.9(6) . . ?
N3 Ru3 C47 104.8(6) . . ?
C46 Ru3 C47 39.2(7) . . ?
C42 Ru3 C47 36.8(7) . . ?
C43 Ru3 C47 66.8(6) . . ?
C44 Ru3 C47 79.4(6) . . ?
C45 Ru3 C47 68.8(6) . . ?
C1 O1 Ru3 111.8(10) . . ?
C2 O2 Ru3 110.8(9) . . ?
C7 O3 Ru1 114.9(11) . . ?
C8 O4 Ru1 113.2(11) . . ?
C23 O5 Ru2 110.8(9) . . ?
C24 O6 Ru2 112.2(10) . . ?
C1 N1 C5 117.5(15) . . ?
C1 N1 Ru1 123.6(11) . . ?
C5 N1 Ru1 117.9(11) . . ?
C11 N2 C7 118.1(16) . . ?
C11 N2 Ru2 117.1(12) . . ?
C7 N2 Ru2 124.8(12) . . ?
C27 N3 C23 116.8(12) . . ?
C27 N3 Ru3 117.2(10) . . ?
C23 N3 Ru3 125.6(9) . . ?
C20 N4 C6 116.4(14) 2 . ?
C20 N4 H4 121.8 2 . ?
C6 N4 H4 121.8 . . ?
C13 N5 C12 121(4) . . ?
C13 N5 H5 119.6 . . ?
C12 N5 H5 119.6 . . ?
C21 N6 C22 118(2) . . ?
C21 N6 H6 120.9 . . ?
C22 N6 H6 120.9 . . ?
O1 C1 N1 119.5(15) . . ?
O1 C1 C2 118.5(15) . . ?
N1 C1 C2 122.0(15) . . ?
O2 C2 C3 121.4(15) . . ?
O2 C2 C1 116.6(14) . . ?
C3 C2 C1 122.0(16) . . ?
C2 C3 C4 114.6(16) . . ?
C2 C3 C6 124.1(15) . . ?
C4 C3 C6 120.7(15) . . ?
C5 C4 C3 122.1(16) . . ?
C5 C4 H4A 119.0 . . ?
C3 C4 H4A 119.0 . . ?
C4 C5 N1 121.8(17) . . ?
C4 C5 H5A 119.1 . . ?
N1 C5 H5A 119.1 . . ?
C3 C6 N4 111.1(15) . . ?
C3 C6 H6A 109.4 . . ?
N4 C6 H6A 109.4 . . ?
C3 C6 H6B 109.4 . . ?
N4 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
O3 C7 N2 124.1(15) . . ?
O3 C7 C8 115.6(17) . . ?
N2 C7 C8 120.2(17) . . ?
O4 C8 C9 124.6(19) . . ?
O4 C8 C7 115.6(17) . . ?
C9 C8 C7 119.8(19) . . ?
C8 C9 C10 118.5(18) . . ?
C8 C9 C12 125(2) . . ?
C10 C9 C12 117(2) . . ?
C11 C10 C9 120(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
N2 C11 C10 124(2) . . ?
N2 C11 H11 118.1 . . ?
C10 C11 H11 118.1 . . ?
N5 C12 C9 109(2) . . ?
N5 C12 H12A 109.9 . . ?
C9 C12 H12A 109.9 . . ?
N5 C12 H12B 109.9 . . ?
C9 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
N5 C13 C14 124(4) . . ?
N5 C13 H13A 106.4 . . ?
C14 C13 H13A 106.4 . . ?
N5 C13 H13B 106.4 . . ?
C14 C13 H13B 106.4 . . ?
H13A C13 H13B 106.4 . . ?
C19 C14 C15 122(3) . . ?
C19 C14 C13 122(4) . . ?
C15 C14 C13 117(4) . . ?
C16 C15 C14 121(3) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C17 118(2) . . ?
C15 C16 C20 121(2) . . ?
C17 C16 C20 121(2) . . ?
C18 C17 C16 121(2) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C21 120(3) . . ?
C17 C18 C19 117(3) . . ?
C21 C18 C19 123(3) . . ?
C14 C19 C18 122(3) . . ?
C14 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
N4 C20 C16 114.4(16) 2 . ?
N4 C20 H20A 108.7 2 . ?
C16 C20 H20A 108.7 . . ?
N4 C20 H20B 108.7 2 . ?
C16 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
N6 C21 C18 119(2) . . ?
N6 C21 H21A 107.5 . . ?
C18 C21 H21A 107.5 . . ?
N6 C21 H21B 107.5 . . ?
C18 C21 H21B 107.5 . . ?
H21A C21 H21B 107.0 . . ?
N6 C22 C25 109.0(16) . . ?
N6 C22 H22A 109.9 . . ?
C25 C22 H22A 109.9 . . ?
N6 C22 H22B 109.9 . . ?
C25 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
O5 C23 N3 118.0(12) . . ?
O5 C23 C24 120.7(14) . . ?
N3 C23 C24 121.1(13) . . ?
O6 C24 C23 115.4(15) . . ?
O6 C24 C25 122.0(15) . . ?
C23 C24 C25 122.4(15) . . ?
C24 C25 C26 114.4(16) . . ?
C24 C25 C22 121.8(15) . . ?
C26 C25 C22 123.8(16) . . ?
C27 C26 C25 122.0(16) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C26 C27 N3 123.1(15) . . ?
C26 C27 H27 118.5 . . ?
N3 C27 H27 118.5 . . ?
C33 C28 C29 119(2) . . ?
C33 C28 C34 120(2) . . ?
C29 C28 C34 120(2) . . ?
C33 C28 Ru1 71.9(12) . . ?
C29 C28 Ru1 70.8(13) . . ?
C34 C28 Ru1 127.4(15) . . ?
C28 C29 C30 123(2) . . ?
C28 C29 Ru1 72.1(13) . . ?
C30 C29 Ru1 71.7(13) . . ?
C28 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
Ru1 C29 H29 130.4 . . ?
C29 C30 C31 116(2) . . ?
C29 C30 Ru1 70.6(12) . . ?
C31 C30 Ru1 69.2(12) . . ?
C29 C30 H30 122.0 . . ?
C31 C30 H30 122.0 . . ?
Ru1 C30 H30 130.4 . . ?
C32 C31 C30 117(2) . . ?
C32 C31 Ru1 70.0(12) . . ?
C30 C31 Ru1 70.8(12) . . ?
C32 C31 H31 121.4 . . ?
C30 C31 H31 121.4 . . ?
Ru1 C31 H31 130.0 . . ?
C33 C32 C31 124(2) . . ?
C33 C32 Ru1 74.0(12) . . ?
C31 C32 Ru1 73.0(14) . . ?
C33 C32 H32 117.8 . . ?
C31 C32 H32 117.8 . . ?
Ru1 C32 H32 127.5 . . ?
C28 C33 C32 120(2) . . ?
C28 C33 Ru1 71.9(12) . . ?
C32 C33 Ru1 69.2(13) . . ?
C28 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
Ru1 C33 H33 131.9 . . ?
C28 C34 H34A 109.5 . . ?
C28 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C28 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C40 118(2) . . ?
C36 C35 C41 122(2) . . ?
C40 C35 C41 120(2) . . ?
C36 C35 Ru2 71.6(12) . . ?
C40 C35 Ru2 70.3(11) . . ?
C41 C35 Ru2 129.9(13) . . ?
C35 C36 C37 120(2) . . ?
C35 C36 Ru2 71.1(11) . . ?
C37 C36 Ru2 69.7(11) . . ?
C35 C36 H36 120.2 . . ?
C37 C36 H36 120.2 . . ?
Ru2 C36 H36 131.9 . . ?
C38 C37 C36 115(2) . . ?
C38 C37 Ru2 66.6(13) . . ?
C36 C37 Ru2 72.1(10) . . ?
C38 C37 H37 122.7 . . ?
C36 C37 H37 122.7 . . ?
Ru2 C37 H37 130.7 . . ?
C39 C38 C37 130(3) . . ?
C39 C38 Ru2 78.7(18) . . ?
C37 C38 Ru2 74.9(13) . . ?
C39 C38 H38 115.1 . . ?
C37 C38 H38 115.1 . . ?
Ru2 C38 H38 122.6 . . ?
C38 C39 C40 117(2) . . ?
C38 C39 Ru2 68.0(14) . . ?
C40 C39 Ru2 70.5(11) . . ?
C38 C39 H39 121.5 . . ?
C40 C39 H39 121.5 . . ?
Ru2 C39 H39 132.8 . . ?
C35 C40 C39 120(2) . . ?
C35 C40 Ru2 72.0(11) . . ?
C39 C40 Ru2 71.1(11) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
Ru2 C40 H40 129.6 . . ?
C35 C41 H41A 109.5 . . ?
C35 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C35 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C47 C42 C43 120.5(17) . . ?
C47 C42 C48 119.3(16) . . ?
C43 C42 C48 120.2(17) . . ?
C47 C42 Ru3 73.4(11) . . ?
C43 C42 Ru3 71.2(10) . . ?
C48 C42 Ru3 126.8(12) . . ?
C42 C43 C44 119.7(17) . . ?
C42 C43 Ru3 71.2(10) . . ?
C44 C43 Ru3 71.1(10) . . ?
C42 C43 H43 120.2 . . ?
C44 C43 H43 120.2 . . ?
Ru3 C43 H43 130.0 . . ?
C45 C44 C43 122.0(16) . . ?
C45 C44 Ru3 72.1(9) . . ?
C43 C44 Ru3 70.6(9) . . ?
C45 C44 H44 119.0 . . ?
C43 C44 H44 119.0 . . ?
Ru3 C44 H44 131.3 . . ?
C44 C45 C46 118.2(16) . . ?
C44 C45 Ru3 70.2(9) . . ?
C46 C45 Ru3 68.7(9) . . ?
C44 C45 H45 120.9 . . ?
C46 C45 H45 120.9 . . ?
Ru3 C45 H45 133.0 . . ?
C45 C46 C47 117.9(17) . . ?
C45 C46 Ru3 72.5(9) . . ?
C47 C46 Ru3 72.8(10) . . ?
C45 C46 H46 121.0 . . ?
C47 C46 H46 121.0 . . ?
Ru3 C46 H46 125.5 . . ?
C42 C47 C46 121.0(16) . . ?
C42 C47 Ru3 69.8(10) . . ?
C46 C47 Ru3 68.1(9) . . ?
C42 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
Ru3 C47 H47 136.8 . . ?
C42 C48 H48A 109.5 . . ?
C42 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C42 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
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 O4 2.060(15) . ?
Ru1 O3 2.072(11) . ?
Ru1 N1 2.124(14) . ?
Ru1 C32 2.17(2) . ?
Ru1 C31 2.20(2) . ?
Ru1 C29 2.21(2) . ?
Ru1 C30 2.23(2) . ?
Ru1 C28 2.23(2) . ?
Ru1 C33 2.23(2) . ?
Ru2 C38 2.06(3) . ?
Ru2 O6 2.070(12) . ?
Ru2 O5 2.102(11) . ?
Ru2 N2 2.120(15) . ?
Ru2 C37 2.172(18) . ?
Ru2 C40 2.174(18) . ?
Ru2 C39 2.183(19) . ?
Ru2 C35 2.20(2) . ?
Ru2 C36 2.203(19) . ?
Ru3 O1 2.080(11) . ?
Ru3 O2 2.083(10) . ?
Ru3 N3 2.122(12) . ?
Ru3 C46 2.163(17) . ?
Ru3 C42 2.180(18) . ?
Ru3 C43 2.181(17) . ?
Ru3 C44 2.188(16) . ?
Ru3 C45 2.213(15) . ?
Ru3 C47 2.227(17) . ?
O1 C1 1.310(19) . ?
O2 C2 1.36(2) . ?
O3 C7 1.28(2) . ?
O4 C8 1.34(2) . ?
O5 C23 1.305(17) . ?
O6 C24 1.354(19) . ?
N1 C1 1.33(2) . ?
N1 C5 1.43(2) . ?
N2 C11 1.34(2) . ?
N2 C7 1.40(2) . ?
N3 C27 1.37(2) . ?
N3 C23 1.391(19) . ?
N4 C20 1.48(3) 2 ?
N4 C6 1.51(2) . ?
N4 H4 0.8800 . ?
N5 C13 1.26(4) . ?
N5 C12 1.44(3) . ?
N5 H5 0.8800 . ?
N6 C21 1.42(3) . ?
N6 C22 1.47(3) . ?
N6 H6 0.8800 . ?
C1 C2 1.42(2) . ?
C2 C3 1.39(2) . ?
C3 C4 1.44(2) . ?
C3 C6 1.49(2) . ?
C4 C5 1.34(2) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.49(3) . ?
C8 C9 1.35(3) . ?
C9 C10 1.44(3) . ?
C9 C12 1.51(3) . ?
C10 C11 1.41(3) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.45(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C19 1.25(4) . ?
C14 C15 1.44(4) . ?
C15 C16 1.42(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.42(3) . ?
C16 C20 1.50(3) . ?
C17 C18 1.40(3) . ?
C17 H17 0.9500 . ?
C18 C21 1.47(4) . ?
C18 C19 1.53(4) . ?
C19 H19 0.9500 . ?
C20 N4 1.48(3) 2 ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C25 1.50(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.39(2) . ?
C24 C25 1.41(2) . ?
C25 C26 1.42(2) . ?
C26 C27 1.36(2) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.38(3) . ?
C28 C29 1.41(3) . ?
C28 C34 1.52(3) . ?
C29 C30 1.43(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.51(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.39(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.39(3) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.41(3) . ?
C35 C40 1.41(3) . ?
C35 C41 1.47(3) . ?
C36 C37 1.43(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.40(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.22(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.43(3) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C47 1.39(3) . ?
C42 C43 1.40(2) . ?
C42 C48 1.48(3) . ?
C43 C44 1.43(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.42(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.45(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.47(3) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N4 H4 O9 0.88 2.26 2.88(2) 127.9 .
N5 H5 O4 0.88 2.63 3.08(3) 113.2 .
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
O2 Ru3 O1 C1 -14.9(10) . . . . ?
N3 Ru3 O1 C1 69.9(11) . . . . ?
C46 Ru3 O1 C1 -149.8(11) . . . . ?
C42 Ru3 O1 C1 149.8(11) . . . . ?
C44 Ru3 O1 C1 -91.5(13) . . . . ?
C45 Ru3 O1 C1 -113.5(11) . . . . ?
C47 Ru3 O1 C1 174.0(11) . . . . ?
O1 Ru3 O2 C2 14.8(9) . . . . ?
N3 Ru3 O2 C2 -71.6(10) . . . . ?
C46 Ru3 O2 C2 95.9(12) . . . . ?
C42 Ru3 O2 C2 -149.6(10) . . . . ?
C43 Ru3 O2 C2 -169.1(10) . . . . ?
C44 Ru3 O2 C2 155.7(10) . . . . ?
C45 Ru3 O2 C2 119.6(10) . . . . ?
C47 Ru3 O2 C2 145(3) . . . . ?
O4 Ru1 O3 C7 -12.4(11) . . . . ?
N1 Ru1 O3 C7 72.5(12) . . . . ?
C32 Ru1 O3 C7 -147.6(13) . . . . ?
C31 Ru1 O3 C7 -112.4(13) . . . . ?
C30 Ru1 O3 C7 -88.8(17) . . . . ?
C28 Ru1 O3 C7 154.1(12) . . . . ?
C33 Ru1 O3 C7 177.3(12) . . . . ?
O3 Ru1 O4 C8 11.4(11) . . . . ?
N1 Ru1 O4 C8 -76.9(12) . . . . ?
C32 Ru1 O4 C8 94.5(15) . . . . ?
C31 Ru1 O4 C8 115.8(13) . . . . ?
C29 Ru1 O4 C8 -172.3(12) . . . . ?
C30 Ru1 O4 C8 154.2(13) . . . . ?
C28 Ru1 O4 C8 -153.0(13) . . . . ?
C33 Ru1 O4 C8 127(3) . . . . ?
C38 Ru2 O5 C23 164(2) . . . . ?
O6 Ru2 O5 C23 -9.2(9) . . . . ?
N2 Ru2 O5 C23 73.2(10) . . . . ?
C37 Ru2 O5 C23 -81.9(17) . . . . ?
C40 Ru2 O5 C23 -167.6(10) . . . . ?
C39 Ru2 O5 C23 164.2(11) . . . . ?
C35 Ru2 O5 C23 -130.1(10) . . . . ?
C36 Ru2 O5 C23 -98.6(10) . . . . ?
C38 Ru2 O6 C24 -164.5(12) . . . . ?
O5 Ru2 O6 C24 13.1(11) . . . . ?
N2 Ru2 O6 C24 -77.1(11) . . . . ?
C37 Ru2 O6 C24 166.7(13) . . . . ?
C40 Ru2 O6 C24 100.1(19) . . . . ?
C39 Ru2 O6 C24 -155.9(16) . . . . ?
C35 Ru2 O6 C24 100.7(12) . . . . ?
C36 Ru2 O6 C24 128.5(12) . . . . ?
O4 Ru1 N1 C1 144.7(14) . . . . ?
O3 Ru1 N1 C1 65.8(14) . . . . ?
C32 Ru1 N1 C1 -25.9(19) . . . . ?
C31 Ru1 N1 C1 -95(3) . . . . ?
C29 Ru1 N1 C1 -106.5(14) . . . . ?
C30 Ru1 N1 C1 -129.0(14) . . . . ?
C28 Ru1 N1 C1 -70.9(15) . . . . ?
C33 Ru1 N1 C1 -39.7(15) . . . . ?
O4 Ru1 N1 C5 -47.3(13) . . . . ?
O3 Ru1 N1 C5 -126.2(14) . . . . ?
C32 Ru1 N1 C5 142.2(14) . . . . ?
C31 Ru1 N1 C5 73(4) . . . . ?
C29 Ru1 N1 C5 61.5(15) . . . . ?
C30 Ru1 N1 C5 39.1(18) . . . . ?
C28 Ru1 N1 C5 97.1(14) . . . . ?
C33 Ru1 N1 C5 128.4(14) . . . . ?
C38 Ru2 N2 C11 69.2(14) . . . . ?
O6 Ru2 N2 C11 -50.2(12) . . . . ?
O5 Ru2 N2 C11 -129.0(13) . . . . ?
C37 Ru2 N2 C11 38.4(15) . . . . ?
C40 Ru2 N2 C11 131.0(13) . . . . ?
C39 Ru2 N2 C11 102.6(15) . . . . ?
C35 Ru2 N2 C11 134.6(17) . . . . ?
C36 Ru2 N2 C11 34(2) . . . . ?
C38 Ru2 N2 C7 -109.1(14) . . . . ?
O6 Ru2 N2 C7 131.6(13) . . . . ?
O5 Ru2 N2 C7 52.7(13) . . . . ?
C37 Ru2 N2 C7 -139.9(13) . . . . ?
C40 Ru2 N2 C7 -47.3(15) . . . . ?
C39 Ru2 N2 C7 -75.7(15) . . . . ?
C35 Ru2 N2 C7 -44(2) . . . . ?
C36 Ru2 N2 C7 -144.6(15) . . . . ?
O1 Ru3 N3 C27 -122.5(11) . . . . ?
O2 Ru3 N3 C27 -42.9(11) . . . . ?
C46 Ru3 N3 C27 151.0(12) . . . . ?
C42 Ru3 N3 C27 97.9(11) . . . . ?
C43 Ru3 N3 C27 62.1(11) . . . . ?
C44 Ru3 N3 C27 41.3(13) . . . . ?
C45 Ru3 N3 C27 73(3) . . . . ?
C47 Ru3 N3 C27 130.3(11) . . . . ?
O1 Ru3 N3 C23 65.6(11) . . . . ?
O2 Ru3 N3 C23 145.1(11) . . . . ?
C46 Ru3 N3 C23 -20.9(16) . . . . ?
C42 Ru3 N3 C23 -74.1(12) . . . . ?
C43 Ru3 N3 C23 -109.8(12) . . . . ?
C44 Ru3 N3 C23 -130.7(11) . . . . ?
C45 Ru3 N3 C23 -99(3) . . . . ?
C47 Ru3 N3 C23 -41.6(12) . . . . ?
Ru3 O1 C1 N1 -167.8(12) . . . . ?
Ru3 O1 C1 C2 12.7(18) . . . . ?
C5 N1 C1 O1 -179.0(15) . . . . ?
Ru1 N1 C1 O1 -11(2) . . . . ?
C5 N1 C1 C2 0(2) . . . . ?
Ru1 N1 C1 C2 168.6(12) . . . . ?
Ru3 O2 C2 C3 167.7(14) . . . . ?
Ru3 O2 C2 C1 -13.0(16) . . . . ?
O1 C1 C2 O2 0(2) . . . . ?
N1 C1 C2 O2 -179.2(14) . . . . ?
O1 C1 C2 C3 179.5(16) . . . . ?
N1 C1 C2 C3 0(3) . . . . ?
O2 C2 C3 C4 177.4(15) . . . . ?
C1 C2 C3 C4 -2(3) . . . . ?
O2 C2 C3 C6 7(3) . . . . ?
C1 C2 C3 C6 -172.6(17) . . . . ?
C2 C3 C4 C5 3(3) . . . . ?
C6 C3 C4 C5 174.4(19) . . . . ?
C3 C4 C5 N1 -3(3) . . . . ?
C1 N1 C5 C4 1(3) . . . . ?
Ru1 N1 C5 C4 -167.8(16) . . . . ?
C2 C3 C6 N4 -134.8(19) . . . . ?
C4 C3 C6 N4 55(2) . . . . ?
C20 N4 C6 C3 55(2) 2 . . . ?
Ru1 O3 C7 N2 -172.4(12) . . . . ?
Ru1 O3 C7 C8 11.1(18) . . . . ?
C11 N2 C7 O3 -177.4(16) . . . . ?
Ru2 N2 C7 O3 1(2) . . . . ?
C11 N2 C7 C8 -1(2) . . . . ?
Ru2 N2 C7 C8 177.2(11) . . . . ?
Ru1 O4 C8 C9 171.3(15) . . . . ?
Ru1 O4 C8 C7 -9.3(18) . . . . ?
O3 C7 C8 O4 -1(2) . . . . ?
N2 C7 C8 O4 -177.9(15) . . . . ?
O3 C7 C8 C9 178.3(16) . . . . ?
N2 C7 C8 C9 2(3) . . . . ?
O4 C8 C9 C10 176.6(16) . . . . ?
C7 C8 C9 C10 -3(3) . . . . ?
O4 C8 C9 C12 -1(3) . . . . ?
C7 C8 C9 C12 179.3(17) . . . . ?
C8 C9 C10 C11 4(3) . . . . ?
C12 C9 C10 C11 -178.4(18) . . . . ?
C7 N2 C11 C10 2(3) . . . . ?
Ru2 N2 C11 C10 -176.6(14) . . . . ?
C9 C10 C11 N2 -3(3) . . . . ?
C13 N5 C12 C9 -115(4) . . . . ?
C8 C9 C12 N5 -61(3) . . . . ?
C10 C9 C12 N5 121(2) . . . . ?
C12 N5 C13 C14 53(6) . . . . ?
N5 C13 C14 C19 44(6) . . . . ?
N5 C13 C14 C15 -140(4) . . . . ?
C19 C14 C15 C16 0(4) . . . . ?
C13 C14 C15 C16 -176(3) . . . . ?
C14 C15 C16 C17 0(3) . . . . ?
C14 C15 C16 C20 177(2) . . . . ?
C15 C16 C17 C18 2(3) . . . . ?
C20 C16 C17 C18 -174.5(19) . . . . ?
C16 C17 C18 C21 -178(2) . . . . ?
C16 C17 C18 C19 -4(3) . . . . ?
C15 C14 C19 C18 -1(5) . . . . ?
C13 C14 C19 C18 175(3) . . . . ?
C17 C18 C19 C14 3(4) . . . . ?
C21 C18 C19 C14 178(3) . . . . ?
C15 C16 C20 N4 129(2) . . . 2 ?
C17 C16 C20 N4 -54(3) . . . 2 ?
C22 N6 C21 C18 172(2) . . . . ?
C17 C18 C21 N6 90(3) . . . . ?
C19 C18 C21 N6 -84(3) . . . . ?
C21 N6 C22 C25 -68(3) . . . . ?
Ru2 O5 C23 N3 -171.0(9) . . . . ?
Ru2 O5 C23 C24 4.1(17) . . . . ?
C27 N3 C23 O5 -179.7(13) . . . . ?
Ru3 N3 C23 O5 -7.7(18) . . . . ?
C27 N3 C23 C24 5(2) . . . . ?
Ru3 N3 C23 C24 177.1(12) . . . . ?
Ru2 O6 C24 C23 -15.0(18) . . . . ?
Ru2 O6 C24 C25 170.2(14) . . . . ?
O5 C23 C24 O6 7(2) . . . . ?
N3 C23 C24 O6 -177.6(13) . . . . ?
O5 C23 C24 C25 -177.9(15) . . . . ?
N3 C23 C24 C25 -3(2) . . . . ?
O6 C24 C25 C26 172.6(15) . . . . ?
C23 C24 C25 C26 -2(2) . . . . ?
O6 C24 C25 C22 -8(3) . . . . ?
C23 C24 C25 C22 177.3(17) . . . . ?
N6 C22 C25 C24 -87(2) . . . . ?
N6 C22 C25 C26 92(2) . . . . ?
C24 C25 C26 C27 4(2) . . . . ?
C22 C25 C26 C27 -175.0(17) . . . . ?
C25 C26 C27 N3 -2(3) . . . . ?
C23 N3 C27 C26 -3(2) . . . . ?
Ru3 N3 C27 C26 -175.5(12) . . . . ?
O4 Ru1 C28 C33 -162.5(12) . . . . ?
O3 Ru1 C28 C33 40.0(16) . . . . ?
N1 Ru1 C28 C33 122.0(13) . . . . ?
C32 Ru1 C28 C33 -28.2(13) . . . . ?
C31 Ru1 C28 C33 -63.9(14) . . . . ?
C29 Ru1 C28 C33 -131.3(19) . . . . ?
C30 Ru1 C28 C33 -103.5(15) . . . . ?
O4 Ru1 C28 C29 -31.2(18) . . . . ?
O3 Ru1 C28 C29 171.3(10) . . . . ?
N1 Ru1 C28 C29 -106.7(12) . . . . ?
C32 Ru1 C28 C29 103.1(14) . . . . ?
C31 Ru1 C28 C29 67.4(13) . . . . ?
C30 Ru1 C28 C29 27.8(13) . . . . ?
C33 Ru1 C28 C29 131.3(19) . . . . ?
O4 Ru1 C28 C34 83(2) . . . . ?
O3 Ru1 C28 C34 -75(2) . . . . ?
N1 Ru1 C28 C34 7(2) . . . . ?
C32 Ru1 C28 C34 -143(2) . . . . ?
C31 Ru1 C28 C34 -178(2) . . . . ?
C29 Ru1 C28 C34 114(3) . . . . ?
C30 Ru1 C28 C34 142(2) . . . . ?
C33 Ru1 C28 C34 -115(3) . . . . ?
C33 C28 C29 C30 2(3) . . . . ?
C34 C28 C29 C30 -176(2) . . . . ?
Ru1 C28 C29 C30 -53(2) . . . . ?
C33 C28 C29 Ru1 55.0(17) . . . . ?
C34 C28 C29 Ru1 -123(2) . . . . ?
O4 Ru1 C29 C28 160.9(11) . . . . ?
N1 Ru1 C29 C28 74.3(12) . . . . ?
C32 Ru1 C29 C28 -65.4(13) . . . . ?
C31 Ru1 C29 C28 -102.6(14) . . . . ?
C30 Ru1 C29 C28 -135(2) . . . . ?
C33 Ru1 C29 C28 -29.0(12) . . . . ?
O4 Ru1 C29 C30 -64.3(15) . . . . ?
N1 Ru1 C29 C30 -150.8(14) . . . . ?
C32 Ru1 C29 C30 69.5(15) . . . . ?
C31 Ru1 C29 C30 32.2(15) . . . . ?
C28 Ru1 C29 C30 135(2) . . . . ?
C33 Ru1 C29 C30 105.8(16) . . . . ?
C28 C29 C30 C31 0(3) . . . . ?
Ru1 C29 C30 C31 -53.8(17) . . . . ?
C28 C29 C30 Ru1 53(2) . . . . ?
O4 Ru1 C30 C29 121.7(14) . . . . ?
O3 Ru1 C30 C29 -165.9(12) . . . . ?
N1 Ru1 C30 C29 38.3(18) . . . . ?
C32 Ru1 C30 C29 -99.4(16) . . . . ?
C31 Ru1 C30 C29 -129(2) . . . . ?
C28 Ru1 C30 C29 -27.4(13) . . . . ?
C33 Ru1 C30 C29 -63.1(14) . . . . ?
O4 Ru1 C30 C31 -109.1(14) . . . . ?
O3 Ru1 C30 C31 -37(2) . . . . ?
N1 Ru1 C30 C31 167.5(12) . . . . ?
C32 Ru1 C30 C31 29.8(13) . . . . ?
C29 Ru1 C30 C31 129(2) . . . . ?
C28 Ru1 C30 C31 101.7(15) . . . . ?
C33 Ru1 C30 C31 66.1(14) . . . . ?
C29 C30 C31 C32 0(3) . . . . ?
Ru1 C30 C31 C32 -54.2(17) . . . . ?
C29 C30 C31 Ru1 54.5(18) . . . . ?
O4 Ru1 C31 C32 -154.7(13) . . . . ?
O3 Ru1 C31 C32 -73.0(14) . . . . ?
N1 Ru1 C31 C32 87(4) . . . . ?
C29 Ru1 C31 C32 99.3(15) . . . . ?
C30 Ru1 C31 C32 130(2) . . . . ?
C28 Ru1 C31 C32 62.6(14) . . . . ?
C33 Ru1 C31 C32 27.5(13) . . . . ?
O4 Ru1 C31 C30 75.5(14) . . . . ?
O3 Ru1 C31 C30 157.3(13) . . . . ?
N1 Ru1 C31 C30 -43(4) . . . . ?
C32 Ru1 C31 C30 -130(2) . . . . ?
C29 Ru1 C31 C30 -30.5(13) . . . . ?
C28 Ru1 C31 C30 -67.2(14) . . . . ?
C33 Ru1 C31 C30 -102.3(14) . . . . ?
C30 C31 C32 C33 -1(3) . . . . ?
Ru1 C31 C32 C33 -56.1(19) . . . . ?
C30 C31 C32 Ru1 54.6(17) . . . . ?
O4 Ru1 C32 C33 170.6(10) . . . . ?
O3 Ru1 C32 C33 -112.2(12) . . . . ?
N1 Ru1 C32 C33 -22.7(18) . . . . ?
C31 Ru1 C32 C33 135(2) . . . . ?
C29 Ru1 C32 C33 64.6(13) . . . . ?
C30 Ru1 C32 C33 102.6(14) . . . . ?
C28 Ru1 C32 C33 27.8(12) . . . . ?
O4 Ru1 C32 C31 36.0(17) . . . . ?
O3 Ru1 C32 C31 113.2(13) . . . . ?
N1 Ru1 C32 C31 -157.3(12) . . . . ?
C29 Ru1 C32 C31 -70.0(14) . . . . ?
C30 Ru1 C32 C31 -32.0(14) . . . . ?
C28 Ru1 C32 C31 -106.8(15) . . . . ?
C33 Ru1 C32 C31 -135(2) . . . . ?
C29 C28 C33 C32 -3(3) . . . . ?
C34 C28 C33 C32 174.9(19) . . . . ?
Ru1 C28 C33 C32 51.5(17) . . . . ?
C29 C28 C33 Ru1 -54.5(18) . . . . ?
C34 C28 C33 Ru1 123(2) . . . . ?
C31 C32 C33 C28 3(3) . . . . ?
Ru1 C32 C33 C28 -52.7(17) . . . . ?
C31 C32 C33 Ru1 56(2) . . . . ?
O4 Ru1 C33 C28 94(4) . . . . ?
O3 Ru1 C33 C28 -152.5(12) . . . . ?
N1 Ru1 C33 C28 -61.2(13) . . . . ?
C32 Ru1 C33 C28 134(2) . . . . ?
C31 Ru1 C33 C28 106.0(15) . . . . ?
C29 Ru1 C33 C28 29.8(13) . . . . ?
C30 Ru1 C33 C28 66.5(14) . . . . ?
O4 Ru1 C33 C32 -40(4) . . . . ?
O3 Ru1 C33 C32 73.8(13) . . . . ?
N1 Ru1 C33 C32 165.1(12) . . . . ?
C31 Ru1 C33 C32 -27.7(13) . . . . ?
C29 Ru1 C33 C32 -103.9(14) . . . . ?
C30 Ru1 C33 C32 -67.2(14) . . . . ?
C28 Ru1 C33 C32 -134(2) . . . . ?
C38 Ru2 C35 C36 -67.8(13) . . . . ?
O6 Ru2 C35 C36 50.0(13) . . . . ?
O5 Ru2 C35 C36 129.1(12) . . . . ?
N2 Ru2 C35 C36 -135.5(15) . . . . ?
C37 Ru2 C35 C36 -29.0(12) . . . . ?
C40 Ru2 C35 C36 -130.4(18) . . . . ?
C39 Ru2 C35 C36 -100.9(15) . . . . ?
C38 Ru2 C35 C40 62.7(13) . . . . ?
O6 Ru2 C35 C40 -179.6(10) . . . . ?
O5 Ru2 C35 C40 -100.5(12) . . . . ?
N2 Ru2 C35 C40 -5(2) . . . . ?
C37 Ru2 C35 C40 101.4(14) . . . . ?
C39 Ru2 C35 C40 29.5(13) . . . . ?
C36 Ru2 C35 C40 130.4(18) . . . . ?
C38 Ru2 C35 C41 176(2) . . . . ?
O6 Ru2 C35 C41 -66(2) . . . . ?
O5 Ru2 C35 C41 13(2) . . . . ?
N2 Ru2 C35 C41 108(2) . . . . ?
C37 Ru2 C35 C41 -145(2) . . . . ?
C40 Ru2 C35 C41 113(3) . . . . ?
C39 Ru2 C35 C41 143(2) . . . . ?
C36 Ru2 C35 C41 -116(3) . . . . ?
C40 C35 C36 C37 -3(3) . . . . ?
C41 C35 C36 C37 178.0(17) . . . . ?
Ru2 C35 C36 C37 51.9(15) . . . . ?
C40 C35 C36 Ru2 -54.5(15) . . . . ?
C41 C35 C36 Ru2 126.1(17) . . . . ?
C38 Ru2 C36 C35 101.2(14) . . . . ?
O6 Ru2 C36 C35 -138.9(11) . . . . ?
O5 Ru2 C36 C35 -59.3(13) . . . . ?
N2 Ru2 C36 C35 140.1(14) . . . . ?
C37 Ru2 C36 C35 133.2(18) . . . . ?
C40 Ru2 C36 C35 30.3(11) . . . . ?
C39 Ru2 C36 C35 68.5(13) . . . . ?
C38 Ru2 C36 C37 -32.0(13) . . . . ?
O6 Ru2 C36 C37 87.9(12) . . . . ?
O5 Ru2 C36 C37 167.5(12) . . . . ?
N2 Ru2 C36 C37 7(2) . . . . ?
C40 Ru2 C36 C37 -102.9(14) . . . . ?
C39 Ru2 C36 C37 -64.7(14) . . . . ?
C35 Ru2 C36 C37 -133.2(18) . . . . ?
C35 C36 C37 C38 0(3) . . . . ?
Ru2 C36 C37 C38 52.6(15) . . . . ?
C35 C36 C37 Ru2 -52.5(15) . . . . ?
O6 Ru2 C37 C38 137.7(14) . . . . ?
O5 Ru2 C37 C38 -152.8(14) . . . . ?
N2 Ru2 C37 C38 55.3(15) . . . . ?
C40 Ru2 C37 C38 -62.1(14) . . . . ?
C39 Ru2 C37 C38 -24.3(13) . . . . ?
C35 Ru2 C37 C38 -99.6(15) . . . . ?
C36 Ru2 C37 C38 -128.0(19) . . . . ?
C38 Ru2 C37 C36 128.0(19) . . . . ?
O6 Ru2 C37 C36 -94.3(12) . . . . ?
O5 Ru2 C37 C36 -25(2) . . . . ?
N2 Ru2 C37 C36 -176.7(10) . . . . ?
C40 Ru2 C37 C36 65.9(12) . . . . ?
C39 Ru2 C37 C36 103.7(14) . . . . ?
C35 Ru2 C37 C36 28.4(11) . . . . ?
C36 C37 C38 C39 5(3) . . . . ?
Ru2 C37 C38 C39 61(3) . . . . ?
C36 C37 C38 Ru2 -55.5(15) . . . . ?
O6 Ru2 C38 C39 172.6(13) . . . . ?
O5 Ru2 C38 C39 0(3) . . . . ?
N2 Ru2 C38 C39 90.7(15) . . . . ?
C37 Ru2 C38 C39 -137(2) . . . . ?
C40 Ru2 C38 C39 -31.0(14) . . . . ?
C35 Ru2 C38 C39 -67.8(15) . . . . ?
C36 Ru2 C38 C39 -105.1(16) . . . . ?
O6 Ru2 C38 C37 -50.5(15) . . . . ?
O5 Ru2 C38 C37 137(2) . . . . ?
N2 Ru2 C38 C37 -132.5(14) . . . . ?
C40 Ru2 C38 C37 105.9(15) . . . . ?
C39 Ru2 C38 C37 137(2) . . . . ?
C35 Ru2 C38 C37 69.0(14) . . . . ?
C36 Ru2 C38 C37 31.8(13) . . . . ?
C37 C38 C39 C40 -7(4) . . . . ?
Ru2 C38 C39 C40 52.3(17) . . . . ?
C37 C38 C39 Ru2 -59(2) . . . . ?
O6 Ru2 C39 C38 -14(2) . . . . ?
O5 Ru2 C39 C38 -179.9(12) . . . . ?
N2 Ru2 C39 C38 -90.4(15) . . . . ?
C37 Ru2 C39 C38 27.7(15) . . . . ?
C40 Ru2 C39 C38 132(2) . . . . ?
C35 Ru2 C39 C38 102.7(16) . . . . ?
C36 Ru2 C39 C38 65.4(15) . . . . ?
C38 Ru2 C39 C40 -132(2) . . . . ?
O6 Ru2 C39 C40 -145.5(13) . . . . ?
O5 Ru2 C39 C40 48.5(15) . . . . ?
N2 Ru2 C39 C40 138.1(13) . . . . ?
C37 Ru2 C39 C40 -103.8(15) . . . . ?
C35 Ru2 C39 C40 -28.9(12) . . . . ?
C36 Ru2 C39 C40 -66.2(13) . . . . ?
C36 C35 C40 C39 1(3) . . . . ?
C41 C35 C40 C39 -179.6(17) . . . . ?
Ru2 C35 C40 C39 -54.1(15) . . . . ?
C36 C35 C40 Ru2 55.1(15) . . . . ?
C41 C35 C40 Ru2 -125.5(17) . . . . ?
C38 C39 C40 C35 3(3) . . . . ?
Ru2 C39 C40 C35 54.5(16) . . . . ?
C38 C39 C40 Ru2 -51.1(18) . . . . ?
C38 Ru2 C40 C35 -105.4(14) . . . . ?
O6 Ru2 C40 C35 1(2) . . . . ?
O5 Ru2 C40 C35 84.0(11) . . . . ?
N2 Ru2 C40 C35 177.7(10) . . . . ?
C37 Ru2 C40 C35 -67.9(13) . . . . ?
C39 Ru2 C40 C35 -132.5(19) . . . . ?
C36 Ru2 C40 C35 -30.1(12) . . . . ?
C38 Ru2 C40 C39 27.1(14) . . . . ?
O6 Ru2 C40 C39 133.3(18) . . . . ?
O5 Ru2 C40 C39 -143.5(14) . . . . ?
N2 Ru2 C40 C39 -49.9(15) . . . . ?
C37 Ru2 C40 C39 64.6(15) . . . . ?
C35 Ru2 C40 C39 132.5(19) . . . . ?
C36 Ru2 C40 C39 102.4(15) . . . . ?
O1 Ru3 C42 C47 40.7(14) . . . . ?
O2 Ru3 C42 C47 -163.0(9) . . . . ?
N3 Ru3 C42 C47 120.0(11) . . . . ?
C46 Ru3 C42 C47 -26.9(11) . . . . ?
C43 Ru3 C42 C47 -131.3(15) . . . . ?
C44 Ru3 C42 C47 -101.6(11) . . . . ?
C45 Ru3 C42 C47 -65.1(11) . . . . ?
O1 Ru3 C42 C43 171.9(9) . . . . ?
O2 Ru3 C42 C43 -31.7(13) . . . . ?
N3 Ru3 C42 C43 -108.7(10) . . . . ?
C46 Ru3 C42 C43 104.3(11) . . . . ?
C44 Ru3 C42 C43 29.7(10) . . . . ?
C45 Ru3 C42 C43 66.2(10) . . . . ?
C47 Ru3 C42 C43 131.3(15) . . . . ?
O1 Ru3 C42 C48 -73.9(19) . . . . ?
O2 Ru3 C42 C48 82.5(18) . . . . ?
N3 Ru3 C42 C48 5.5(16) . . . . ?
C46 Ru3 C42 C48 -141.4(18) . . . . ?
C43 Ru3 C42 C48 114(2) . . . . ?
C44 Ru3 C42 C48 143.9(18) . . . . ?
C45 Ru3 C42 C48 -179.6(17) . . . . ?
C47 Ru3 C42 C48 -115(2) . . . . ?
C47 C42 C43 C44 3(2) . . . . ?
C48 C42 C43 C44 -176.4(15) . . . . ?
Ru3 C42 C43 C44 -54.0(13) . . . . ?
C47 C42 C43 Ru3 56.7(15) . . . . ?
C48 C42 C43 Ru3 -122.4(16) . . . . ?
O2 Ru3 C43 C42 159.4(9) . . . . ?
N3 Ru3 C43 C42 73.1(10) . . . . ?
C46 Ru3 C43 C42 -66.7(10) . . . . ?
C44 Ru3 C43 C42 -132.0(14) . . . . ?
C45 Ru3 C43 C42 -104.4(11) . . . . ?
C47 Ru3 C43 C42 -29.3(10) . . . . ?
O2 Ru3 C43 C44 -68.6(10) . . . . ?
N3 Ru3 C43 C44 -154.9(9) . . . . ?
C46 Ru3 C43 C44 65.3(10) . . . . ?
C42 Ru3 C43 C44 132.0(14) . . . . ?
C45 Ru3 C43 C44 27.6(9) . . . . ?
C47 Ru3 C43 C44 102.7(11) . . . . ?
C42 C43 C44 C45 1(2) . . . . ?
Ru3 C43 C44 C45 -52.8(13) . . . . ?
C42 C43 C44 Ru3 54.1(13) . . . . ?
O1 Ru3 C44 C45 -36.1(13) . . . . ?
O2 Ru3 C44 C45 -109.0(9) . . . . ?
N3 Ru3 C44 C45 169.3(8) . . . . ?
C46 Ru3 C44 C45 29.6(10) . . . . ?
C42 Ru3 C44 C45 105.6(11) . . . . ?
C43 Ru3 C44 C45 134.8(14) . . . . ?
C47 Ru3 C44 C45 68.9(10) . . . . ?
O1 Ru3 C44 C43 -170.9(8) . . . . ?
O2 Ru3 C44 C43 116.3(9) . . . . ?
N3 Ru3 C44 C43 34.6(12) . . . . ?
C46 Ru3 C44 C43 -105.2(10) . . . . ?
C42 Ru3 C44 C43 -29.2(9) . . . . ?
C45 Ru3 C44 C43 -134.8(14) . . . . ?
C47 Ru3 C44 C43 -65.8(10) . . . . ?
C43 C44 C45 C46 1(2) . . . . ?
Ru3 C44 C45 C46 -51.0(12) . . . . ?
C43 C44 C45 Ru3 52.2(13) . . . . ?
O1 Ru3 C45 C44 156.5(8) . . . . ?
O2 Ru3 C45 C44 74.6(9) . . . . ?
N3 Ru3 C45 C44 -40(3) . . . . ?
C46 Ru3 C45 C44 -132.7(15) . . . . ?
C42 Ru3 C45 C44 -64.7(10) . . . . ?
C43 Ru3 C45 C44 -28.1(9) . . . . ?
C47 Ru3 C45 C44 -100.3(10) . . . . ?
O1 Ru3 C45 C46 -70.8(11) . . . . ?
O2 Ru3 C45 C46 -152.7(10) . . . . ?
N3 Ru3 C45 C46 93(3) . . . . ?
C42 Ru3 C45 C46 68.0(11) . . . . ?
C43 Ru3 C45 C46 104.6(11) . . . . ?
C44 Ru3 C45 C46 132.7(15) . . . . ?
C47 Ru3 C45 C46 32.4(10) . . . . ?
C44 C45 C46 C47 -7(2) . . . . ?
Ru3 C45 C46 C47 -58.7(13) . . . . ?
C44 C45 C46 Ru3 51.7(12) . . . . ?
O1 Ru3 C46 C45 115.0(10) . . . . ?
O2 Ru3 C46 C45 38.9(14) . . . . ?
N3 Ru3 C46 C45 -160.6(9) . . . . ?
C42 Ru3 C46 C45 -102.4(11) . . . . ?
C43 Ru3 C46 C45 -65.8(10) . . . . ?
C44 Ru3 C46 C45 -28.7(9) . . . . ?
C47 Ru3 C46 C45 -127.8(16) . . . . ?
O1 Ru3 C46 C47 -117.2(10) . . . . ?
O2 Ru3 C46 C47 166.7(9) . . . . ?
N3 Ru3 C46 C47 -32.8(15) . . . . ?
C42 Ru3 C46 C47 25.4(10) . . . . ?
C43 Ru3 C46 C47 62.0(11) . . . . ?
C44 Ru3 C46 C47 99.0(11) . . . . ?
C45 Ru3 C46 C47 127.8(16) . . . . ?
C43 C42 C47 C46 -9(3) . . . . ?
C48 C42 C47 C46 170.2(16) . . . . ?
Ru3 C42 C47 C46 46.8(15) . . . . ?
C43 C42 C47 Ru3 -55.7(14) . . . . ?
C48 C42 C47 Ru3 123.4(16) . . . . ?
C45 C46 C47 C42 11(2) . . . . ?
Ru3 C46 C47 C42 -47.5(15) . . . . ?
C45 C46 C47 Ru3 58.5(13) . . . . ?
O1 Ru3 C47 C42 -153.3(9) . . . . ?
O2 Ru3 C47 C42 79(3) . . . . ?
N3 Ru3 C47 C42 -63.4(11) . . . . ?
C46 Ru3 C47 C42 137.6(16) . . . . ?
C43 Ru3 C47 C42 29.9(10) . . . . ?
C44 Ru3 C47 C42 67.8(10) . . . . ?
C45 Ru3 C47 C42 105.5(11) . . . . ?
O1 Ru3 C47 C46 69.1(11) . . . . ?
O2 Ru3 C47 C46 -59(3) . . . . ?
N3 Ru3 C47 C46 158.9(10) . . . . ?
C42 Ru3 C47 C46 -137.6(16) . . . . ?
C43 Ru3 C47 C46 -107.7(12) . . . . ?
C44 Ru3 C47 C46 -69.8(11) . . . . ?
C45 Ru3 C47 C46 -32.1(10) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.500 1.000 257 70 ' '
