#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:41:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178911 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/40/4114071.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_4114071
loop_
_publ_author_name
'Guo-Lin Xu'
'Gang Zou'
'Yu-Hua Ni'
'Maria C. DeRosa'
'Robert J. Crutchley'
'Tong Ren'
_publ_contact_author_address
; Department of Chemistry
  University of Miami
  PO BOX 249118
  Coral Gables, FL 33124-0431
  USA
;
_publ_contact_author_email       tren@miami.edu
_publ_contact_author_fax         '(305) 284-1880'
_publ_contact_author_name        'Dr. Ren, Tong'
_publ_contact_author_phone       '(305) 284-6617'
_publ_section_title
;
 Polyyn-diyls Capped by Diruthenium Termini: A New Family of Carbon-Rich
 Organometallic Compounds and Distance-Dependent Electronic Coupling
 Therein
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10057
_journal_page_last               10065
_journal_paper_doi               10.1021/ja035434j
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C92 H88 N16 O8 Ru4'
_chemical_formula_weight         1950.06
_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                95.518(3)
_cell_angle_beta                 95.250(3)
_cell_angle_gamma                93.827(4)
_cell_formula_units_Z            2
_cell_length_a                   10.0838(17)
_cell_length_b                   20.023(3)
_cell_length_c                   22.504(4)
_cell_measurement_reflns_used    5924
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      31.00
_cell_measurement_theta_min      2.23
_cell_volume                     4490.6(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      300(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0696
_diffrn_reflns_av_sigmaI/netI    0.1678
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19970
_diffrn_reflns_theta_full        23.00
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.723
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
  SADABS, Absorption corrections using Bruker CCD based on the method of
  Bob Blessing.  Acta Cryst. 1995, A51, 33 
;
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.005
_refine_diff_density_max         1.317
_refine_diff_density_min         -1.142
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       0.00130(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.821
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1082
_refine_ls_number_reflns         12401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.821
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.0747
_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)+(0.1103P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1852
_refine_ls_wR_factor_ref         0.2116
_reflns_number_gt                4877
_reflns_number_total             12401
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja035434jsi20030402_064551.cif
_cod_data_source_block           ru80s
_cod_original_cell_volume        4490.7(13)
_cod_database_code               4114071
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 0.04115(11) 0.52007(6) 0.17799(5) 0.0322(4) Uani 1 1 d .
Ru2 Ru 0.06450(11) 0.53274(5) 0.28257(4) 0.0271(3) Uani 1 1 d .
Ru3 Ru 0.56216(11) 1.03224(5) 0.28159(4) 0.0289(3) Uani 1 1 d .
Ru4 Ru 0.53861(12) 1.02081(6) 0.17695(5) 0.0373(4) Uani 1 1 d .
N1 N -0.1526(10) 0.4795(6) 0.1817(5) 0.043(3) Uani 1 1 d .
N2 N -0.1031(9) 0.4675(5) 0.2837(5) 0.031(3) Uani 1 1 d .
N3 N -0.0276(11) 0.6160(5) 0.1807(5) 0.044(3) Uani 1 1 d .
N4 N -0.0483(10) 0.6137(5) 0.2810(5) 0.033(3) Uani 1 1 d .
N5 N 0.2363(10) 0.5627(6) 0.1815(4) 0.041(3) Uani 1 1 d .
N6 N 0.2316(10) 0.5968(5) 0.2823(4) 0.024(3) Uani 1 1 d .
N7 N 0.1103(11) 0.4242(5) 0.1812(5) 0.042(3) Uani 1 1 d .
N8 N 0.1797(10) 0.4518(5) 0.2822(4) 0.028(3) Uani 1 1 d .
N9 N 0.6348(11) 1.1174(5) 0.1801(4) 0.042(3) Uani 1 1 d .
N10 N 0.7006(10) 1.1110(5) 0.2807(5) 0.031(3) Uani 1 1 d .
N11 N 0.3523(10) 1.0622(5) 0.1798(4) 0.035(3) Uani 1 1 d .
N12 N 0.4127(10) 1.0983(5) 0.2795(5) 0.030(3) Uani 1 1 d .
N13 N 0.4447(12) 0.9238(5) 0.1810(4) 0.046(3) Uani 1 1 d .
N14 N 0.4261(11) 0.9539(6) 0.2808(5) 0.041(3) Uani 1 1 d .
N15 N 0.7262(11) 0.9807(6) 0.1796(4) 0.041(3) Uani 1 1 d .
N16 N 0.7105(11) 0.9665(5) 0.2798(5) 0.036(3) Uani 1 1 d .
C1 C -0.1895(13) 0.4545(7) 0.2342(6) 0.036(3) Uani 1 1 d .
C2 C -0.0688(13) 0.6454(7) 0.2320(5) 0.039(4) Uani 1 1 d .
C3 C 0.2984(13) 0.5997(7) 0.2335(6) 0.040(4) Uani 1 1 d .
C4 C 0.1763(13) 0.4074(7) 0.2325(5) 0.042(4) Uani 1 1 d .
C5 C 0.7129(14) 1.1447(8) 0.2329(6) 0.043(4) Uani 1 1 d .
C6 C 0.3265(13) 1.0968(7) 0.2310(6) 0.040(4) Uani 1 1 d .
C7 C 0.3883(12) 0.9073(6) 0.2312(5) 0.024(3) Uani 1 1 d .
C8 C 0.7772(14) 0.9568(7) 0.2307(6) 0.045(4) Uani 1 1 d .
C11 C -0.3147(15) 0.4205(8) 0.2335(6) 0.054(4) Uani 1 1 d .
H11A H -0.3359 0.4043 0.2691 0.064 Uiso 1 1 calc R
C12 C -0.4116(18) 0.4084(10) 0.1845(7) 0.081(6) Uani 1 1 d .
H12A H -0.4931 0.3841 0.1853 0.097 Uiso 1 1 calc R
C13 C -0.3704(17) 0.4381(10) 0.1325(8) 0.077(6) Uani 1 1 d .
H13A H -0.4289 0.4343 0.0977 0.093 Uiso 1 1 calc R
C14 C -0.2497(16) 0.4711(8) 0.1332(6) 0.060(5) Uani 1 1 d .
H14A H -0.2297 0.4897 0.0985 0.072 Uiso 1 1 calc R
C15 C -0.1193(13) 0.4312(8) 0.3335(6) 0.035(4) Uani 1 1 d .
C16 C -0.1216(12) 0.4676(7) 0.3890(6) 0.042(4) Uani 1 1 d .
H16A H -0.1217 0.5142 0.3921 0.051 Uiso 1 1 calc R
C17 C -0.1239(15) 0.4333(11) 0.4407(7) 0.059(5) Uani 1 1 d .
H17A H -0.1272 0.4569 0.4781 0.071 Uiso 1 1 calc R
C18 C -0.1213(17) 0.3672(12) 0.4352(8) 0.079(6) Uani 1 1 d .
H18A H -0.1213 0.3440 0.4690 0.095 Uiso 1 1 calc R
C19 C -0.1187(19) 0.3336(11) 0.3815(9) 0.099(7) Uani 1 1 d .
H19A H -0.1205 0.2869 0.3785 0.119 Uiso 1 1 calc R
C20 C -0.1134(19) 0.3668(9) 0.3284(7) 0.077(6) Uani 1 1 d .
H20A H -0.1059 0.3429 0.2915 0.092 Uiso 1 1 calc R
C21 C -0.1325(14) 0.7074(6) 0.2329(6) 0.047(4) Uani 1 1 d .
H21A H -0.1639 0.7261 0.2678 0.057 Uiso 1 1 calc R
C22 C -0.1461(18) 0.7380(8) 0.1822(7) 0.077(6) Uani 1 1 d .
H22A H -0.1896 0.7775 0.1814 0.092 Uiso 1 1 calc R
C23 C -0.095(2) 0.7102(8) 0.1312(7) 0.090(7) Uani 1 1 d .
H23A H -0.1018 0.7311 0.0960 0.108 Uiso 1 1 calc R
C24 C -0.0345(16) 0.6527(8) 0.1332(6) 0.063(5) Uani 1 1 d .
H24A H 0.0055 0.6368 0.0996 0.075 Uiso 1 1 calc R
C25 C -0.1267(16) 0.6299(7) 0.3316(6) 0.040(4) Uani 1 1 d .
C26 C -0.0595(16) 0.6615(9) 0.3857(7) 0.065(5) Uani 1 1 d .
H26A H 0.0311 0.6750 0.3887 0.078 Uiso 1 1 calc R
C27 C -0.134(2) 0.6718(9) 0.4342(7) 0.078(7) Uani 1 1 d .
H27A H -0.0908 0.6908 0.4709 0.094 Uiso 1 1 calc R
C28 C -0.267(2) 0.6550(9) 0.4295(8) 0.075(6) Uani 1 1 d .
H28A H -0.3133 0.6617 0.4632 0.090 Uiso 1 1 calc R
C29 C -0.3362(17) 0.6275(8) 0.3742(10) 0.078(6) Uani 1 1 d .
H29A H -0.4287 0.6203 0.3708 0.094 Uiso 1 1 calc R
C30 C -0.2650(16) 0.6108(9) 0.3235(8) 0.068(5) Uani 1 1 d .
H30A H -0.3067 0.5889 0.2877 0.082 Uiso 1 1 calc R
C31 C 0.4240(15) 0.6322(10) 0.2320(7) 0.075(6) Uani 1 1 d .
H31A H 0.4641 0.6565 0.2671 0.090 Uiso 1 1 calc R
C32 C 0.4935(16) 0.6307(11) 0.1816(7) 0.081(6) Uani 1 1 d .
H32A H 0.5747 0.6556 0.1813 0.097 Uiso 1 1 calc R
C33 C 0.4343(19) 0.5895(10) 0.1311(8) 0.080(6) Uani 1 1 d .
H33A H 0.4794 0.5832 0.0970 0.096 Uiso 1 1 calc R
C34 C 0.3095(16) 0.5586(9) 0.1323(6) 0.060(5) Uani 1 1 d .
H34A H 0.2711 0.5329 0.0976 0.072 Uiso 1 1 calc R
C35 C 0.2711(13) 0.6443(7) 0.3318(6) 0.030(3) Uani 1 1 d .
C36 C 0.2721(18) 0.7095(8) 0.3278(7) 0.072(5) Uani 1 1 d .
H36A H 0.2590 0.7254 0.2904 0.086 Uiso 1 1 calc R
C37 C 0.292(2) 0.7547(9) 0.3789(8) 0.092(7) Uani 1 1 d .
H37A H 0.2813 0.8001 0.3761 0.110 Uiso 1 1 calc R
C38 C 0.3274(17) 0.7340(11) 0.4316(8) 0.075(5) Uani 1 1 d .
H38A H 0.3537 0.7655 0.4643 0.090 Uiso 1 1 calc R
C39 C 0.3256(15) 0.6686(9) 0.4385(6) 0.053(5) Uani 1 1 d .
H39A H 0.3427 0.6542 0.4764 0.064 Uiso 1 1 calc R
C40 C 0.2975(12) 0.6218(7) 0.3874(6) 0.042(4) Uani 1 1 d .
H40A H 0.2966 0.5759 0.3911 0.051 Uiso 1 1 calc R
C41 C 0.2381(14) 0.3459(6) 0.2339(6) 0.047(4) Uani 1 1 d .
H41A H 0.2845 0.3352 0.2690 0.057 Uiso 1 1 calc R
C42 C 0.2278(19) 0.3025(8) 0.1824(8) 0.076(6) Uani 1 1 d .
H42A H 0.2692 0.2623 0.1818 0.092 Uiso 1 1 calc R
C43 C 0.1558(19) 0.3189(8) 0.1318(7) 0.077(6) Uani 1 1 d .
H43A H 0.1507 0.2900 0.0965 0.093 Uiso 1 1 calc R
C44 C 0.0918(16) 0.3768(7) 0.1324(6) 0.060(5) Uani 1 1 d .
H44A H 0.0347 0.3842 0.0992 0.072 Uiso 1 1 calc R
C45 C 0.2770(14) 0.4484(6) 0.3313(6) 0.035(4) Uani 1 1 d .
C46 C 0.4083(14) 0.4611(7) 0.3254(7) 0.053(4) Uani 1 1 d .
H46A H 0.4355 0.4712 0.2887 0.063 Uiso 1 1 calc R
C47 C 0.5065(15) 0.4591(8) 0.3761(7) 0.064(5) Uani 1 1 d .
H47A H 0.5975 0.4656 0.3726 0.076 Uiso 1 1 calc R
C48 C 0.457(2) 0.4466(8) 0.4313(7) 0.069(6) Uani 1 1 d .
H48A H 0.5172 0.4459 0.4652 0.083 Uiso 1 1 calc R
C49 C 0.3286(19) 0.4361(8) 0.4354(7) 0.066(5) Uani 1 1 d .
H49A H 0.2998 0.4316 0.4730 0.079 Uiso 1 1 calc R
C50 C 0.2338(15) 0.4314(8) 0.3862(7) 0.059(5) Uani 1 1 d .
H50A H 0.1451 0.4175 0.3892 0.071 Uiso 1 1 calc R
C51 C 0.7830(17) 1.2038(8) 0.2329(7) 0.061(5) Uani 1 1 d .
H51A H 0.8370 1.2210 0.2674 0.073 Uiso 1 1 calc R
C52 C 0.779(2) 1.2405(9) 0.1837(7) 0.072(5) Uani 1 1 d .
H52A H 0.8304 1.2810 0.1846 0.087 Uiso 1 1 calc R
C53 C 0.6939(19) 1.2144(10) 0.1324(7) 0.084(6) Uani 1 1 d .
H53A H 0.6811 1.2394 0.0998 0.101 Uiso 1 1 calc R
C54 C 0.6314(18) 1.1524(7) 0.1315(6) 0.067(5) Uani 1 1 d .
H54A H 0.5841 1.1330 0.0959 0.081 Uiso 1 1 calc R
C55 C 0.7982(13) 1.1262(6) 0.3316(6) 0.034(4) Uani 1 1 d .
C56 C 0.7635(14) 1.1496(7) 0.3856(6) 0.043(4) Uani 1 1 d .
H56A H 0.6747 1.1577 0.3891 0.052 Uiso 1 1 calc R
C57 C 0.8506(17) 1.1617(9) 0.4342(8) 0.064(5) Uani 1 1 d .
H57A H 0.8217 1.1783 0.4705 0.077 Uiso 1 1 calc R
C58 C 0.977(2) 1.1504(9) 0.4316(7) 0.087(7) Uani 1 1 d .
H58A H 1.0369 1.1589 0.4660 0.104 Uiso 1 1 calc R
C59 C 1.0227(16) 1.1259(10) 0.3780(9) 0.085(6) Uani 1 1 d .
H59A H 1.1122 1.1184 0.3757 0.102 Uiso 1 1 calc R
C60 C 0.9286(16) 1.1126(8) 0.3271(7) 0.061(4) Uani 1 1 d .
H60A H 0.9549 1.0948 0.2907 0.073 Uiso 1 1 calc R
C61 C 0.2066(13) 1.1333(8) 0.2322(6) 0.049(4) Uani 1 1 d .
H61A H 0.1889 1.1600 0.2663 0.059 Uiso 1 1 calc R
C62 C 0.1234(14) 1.1266(10) 0.1820(7) 0.072(6) Uani 1 1 d .
H62A H 0.0461 1.1495 0.1813 0.087 Uiso 1 1 calc R
C63 C 0.1467(17) 1.0879(9) 0.1322(7) 0.076(6) Uani 1 1 d .
H63A H 0.0848 1.0831 0.0985 0.091 Uiso 1 1 calc R
C64 C 0.2632(15) 1.0555(7) 0.1316(6) 0.051(4) Uani 1 1 d .
H64A H 0.2798 1.0289 0.0973 0.061 Uiso 1 1 calc R
C65 C 0.4161(13) 1.1495(8) 0.3282(6) 0.038(4) Uani 1 1 d .
C66 C 0.4407(14) 1.2156(7) 0.3202(7) 0.054(4) Uani 1 1 d .
H66A H 0.4526 1.2293 0.2826 0.065 Uiso 1 1 calc R
C67 C 0.4472(19) 1.2609(9) 0.3701(9) 0.094(8) Uani 1 1 d .
H67A H 0.4663 1.3060 0.3650 0.113 Uiso 1 1 calc R
C68 C 0.4290(18) 1.2464(12) 0.4238(9) 0.084(7) Uani 1 1 d .
H68A H 0.4282 1.2806 0.4548 0.101 Uiso 1 1 calc R
C69 C 0.4110(17) 1.1812(12) 0.4344(8) 0.077(6) Uani 1 1 d .
H69A H 0.4053 1.1698 0.4732 0.092 Uiso 1 1 calc R
C70 C 0.4011(13) 1.1315(8) 0.3863(7) 0.044(4) Uani 1 1 d .
H70A H 0.3847 1.0865 0.3924 0.053 Uiso 1 1 calc R
C71 C 0.3178(16) 0.8476(7) 0.2318(6) 0.054(4) Uani 1 1 d .
H71A H 0.2815 0.8375 0.2667 0.065 Uiso 1 1 calc R
C72 C 0.2991(17) 0.8027(10) 0.1831(7) 0.078(6) Uani 1 1 d .
H72A H 0.2479 0.7623 0.1832 0.094 Uiso 1 1 calc R
C73 C 0.361(2) 0.8191(10) 0.1307(7) 0.096(7) Uani 1 1 d .
H73A H 0.3542 0.7887 0.0964 0.115 Uiso 1 1 calc R
C74 C 0.4279(18) 0.8789(8) 0.1326(7) 0.066(5) Uani 1 1 d .
H74A H 0.4652 0.8901 0.0983 0.080 Uiso 1 1 calc R
C75 C 0.3496(14) 0.9467(7) 0.3325(6) 0.036(4) Uani 1 1 d .
C76 C 0.4085(15) 0.9393(7) 0.3881(6) 0.048(4) Uani 1 1 d .
H76A H 0.4991 0.9325 0.3915 0.057 Uiso 1 1 calc R
C77 C 0.347(2) 0.9412(8) 0.4380(8) 0.068(5) Uani 1 1 d .
H77A H 0.3931 0.9377 0.4751 0.082 Uiso 1 1 calc R
C78 C 0.215(2) 0.9482(9) 0.4325(8) 0.078(6) Uani 1 1 d .
H78A H 0.1701 0.9477 0.4667 0.093 Uiso 1 1 calc R
C79 C 0.1423(17) 0.9563(9) 0.3787(9) 0.083(6) Uani 1 1 d .
H79A H 0.0509 0.9610 0.3762 0.100 Uiso 1 1 calc R
C80 C 0.2157(15) 0.9570(7) 0.3271(7) 0.057(4) Uani 1 1 d .
H80A H 0.1730 0.9643 0.2901 0.068 Uiso 1 1 calc R
C81 C 0.8957(15) 0.9196(8) 0.2321(7) 0.064(5) Uani 1 1 d .
H81A H 0.9245 0.8986 0.2655 0.077 Uiso 1 1 calc R
C82 C 0.9640(16) 0.9168(9) 0.1815(7) 0.069(5) Uani 1 1 d .
H82A H 1.0427 0.8951 0.1808 0.083 Uiso 1 1 calc R
C83 C 0.9129(18) 0.9473(10) 0.1310(7) 0.080(6) Uani 1 1 d .
H83A H 0.9606 0.9470 0.0975 0.096 Uiso 1 1 calc R
C84 C 0.7954(16) 0.9769(8) 0.1303(6) 0.060(5) Uani 1 1 d .
H84A H 0.7619 0.9948 0.0959 0.072 Uiso 1 1 calc R
C85 C 0.7276(12) 0.9256(7) 0.3274(6) 0.031(3) Uani 1 1 d .
C86 C 0.7754(13) 0.9533(7) 0.3851(6) 0.039(4) Uani 1 1 d .
H86A H 0.8025 0.9989 0.3922 0.047 Uiso 1 1 calc R
C87 C 0.7829(18) 0.9125(10) 0.4329(8) 0.076(6) Uani 1 1 d .
H87A H 0.8057 0.9313 0.4723 0.091 Uiso 1 1 calc R
C88 C 0.7559(17) 0.8444(9) 0.4198(8) 0.069(5) Uani 1 1 d .
H88A H 0.7696 0.8164 0.4501 0.083 Uiso 1 1 calc R
C89 C 0.7094(16) 0.8171(8) 0.3636(8) 0.065(5) Uani 1 1 d .
H89A H 0.6865 0.7711 0.3560 0.078 Uiso 1 1 calc R
C90 C 0.6966(15) 0.8577(7) 0.3182(6) 0.050(4) Uani 1 1 d .
H90A H 0.6657 0.8384 0.2797 0.060 Uiso 1 1 calc R
C91 C 0.0189(12) 0.5089(6) 0.0862(6) 0.033(4) Uani 1 1 d .
C92 C 0.0095(14) 0.5032(6) 0.0297(5) 0.036(4) Uani 1 1 d .
C93 C 0.5179(18) 1.0113(8) 0.0865(7) 0.062(5) Uani 1 1 d .
C94 C 0.5072(17) 1.0035(7) 0.0309(6) 0.054(5) Uani 1 1 d .
O1 O 0.6212(9) 1.3035(5) 0.2836(4) 0.047(3) Uani 1 1 d .
O2 O 0.1243(10) 0.8030(4) 0.2831(5) 0.058(3) Uani 1 1 d .
O3 O -0.4021(12) 0.2925(6) 0.1778(6) 0.091(4) Uani 1 1 d .
O4 O 0.1033(14) 0.7902(5) 0.1773(5) 0.093(4) Uani 1 1 d .
O5 O 0.988(2) 1.2561(12) 0.287(2) 0.41(3) Uani 1 1 d .
O6 O 0.490(2) 0.7582(13) 0.2851(16) 0.279(15) Uani 1 1 d .
O7 O 0.974(3) 1.2465(12) 0.1743(15) 0.321(19) Uani 1 1 d .
O8 O 0.474(2) 0.7434(13) 0.1767(16) 0.266(14) 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_3
C91 Ru1 N1 91.6(5) .
C91 Ru1 N3 91.7(4) .
N1 Ru1 N3 89.8(5) .
C91 Ru1 N5 92.8(4) .
N1 Ru1 N5 175.6(4) .
N3 Ru1 N5 89.4(4) .
C91 Ru1 N7 91.9(5) .
N1 Ru1 N7 89.7(4) .
N3 Ru1 N7 176.4(4) .
N5 Ru1 N7 90.8(4) .
C91 Ru1 Ru2 179.5(4) .
N1 Ru1 Ru2 87.9(3) .
N3 Ru1 Ru2 88.1(3) .
N5 Ru1 Ru2 87.7(3) .
N7 Ru1 Ru2 88.3(3) .
N4 Ru2 N6 88.8(4) .
N4 Ru2 N8 178.6(4) .
N6 Ru2 N8 90.5(4) .
N4 Ru2 N2 91.7(4) .
N6 Ru2 N2 179.3(4) .
N8 Ru2 N2 89.0(4) .
N4 Ru2 Ru1 89.2(3) .
N6 Ru2 Ru1 90.1(3) .
N8 Ru2 Ru1 89.6(3) .
N2 Ru2 Ru1 90.5(3) .
N14 Ru3 N10 178.9(4) .
N14 Ru3 N16 89.5(4) .
N10 Ru3 N16 90.2(4) .
N14 Ru3 N12 90.8(4) .
N10 Ru3 N12 89.6(4) .
N16 Ru3 N12 177.6(4) .
N14 Ru3 Ru4 89.6(3) .
N10 Ru3 Ru4 89.3(3) .
N16 Ru3 Ru4 89.2(3) .
N12 Ru3 Ru4 88.4(3) .
C93 Ru4 N9 91.6(5) .
C93 Ru4 N15 92.1(6) .
N9 Ru4 N15 89.1(4) .
C93 Ru4 N11 91.3(6) .
N9 Ru4 N11 90.5(4) .
N15 Ru4 N11 176.6(4) .
C93 Ru4 N13 92.8(5) .
N9 Ru4 N13 175.6(4) .
N15 Ru4 N13 90.3(4) .
N11 Ru4 N13 89.9(4) .
C93 Ru4 Ru3 179.8(5) .
N9 Ru4 Ru3 88.3(3) .
N15 Ru4 Ru3 88.1(3) .
N11 Ru4 Ru3 88.5(3) .
N13 Ru4 Ru3 87.3(3) .
C14 N1 C1 115.8(12) .
C14 N1 Ru1 124.1(11) .
C1 N1 Ru1 120.1(8) .
C1 N2 C15 119.8(12) .
C1 N2 Ru2 119.5(10) .
C15 N2 Ru2 120.4(8) .
C24 N3 C2 116.0(11) .
C24 N3 Ru1 123.7(9) .
C2 N3 Ru1 120.3(9) .
C2 N4 C25 118.8(10) .
C2 N4 Ru2 121.7(8) .
C25 N4 Ru2 118.6(8) .
C34 N5 C3 116.3(12) .
C34 N5 Ru1 122.5(9) .
C3 N5 Ru1 121.2(9) .
C3 N6 C35 117.7(11) .
C3 N6 Ru2 122.0(9) .
C35 N6 Ru2 119.9(8) .
C4 N7 C44 118.1(11) .
C4 N7 Ru1 120.2(9) .
C44 N7 Ru1 121.7(9) .
C4 N8 C45 119.9(10) .
C4 N8 Ru2 120.7(8) .
C45 N8 Ru2 118.8(8) .
C54 N9 C5 118.8(13) .
C54 N9 Ru4 121.9(9) .
C5 N9 Ru4 119.1(9) .
C5 N10 C55 118.5(13) .
C5 N10 Ru3 123.1(9) .
C55 N10 Ru3 118.1(9) .
C64 N11 C6 120.7(12) .
C64 N11 Ru4 121.0(9) .
C6 N11 Ru4 118.4(8) .
C6 N12 C65 121.7(11) .
C6 N12 Ru3 120.1(8) .
C65 N12 Ru3 117.7(8) .
C74 N13 C7 117.7(12) .
C74 N13 Ru4 120.7(11) .
C7 N13 Ru4 121.3(7) .
C7 N14 C75 115.2(11) .
C7 N14 Ru3 124.1(9) .
C75 N14 Ru3 120.4(9) .
C8 N15 C84 119.8(12) .
C8 N15 Ru4 119.5(8) .
C84 N15 Ru4 120.7(10) .
C8 N16 C85 121.0(11) .
C8 N16 Ru3 120.2(10) .
C85 N16 Ru3 118.3(8) .
N2 C1 C11 123.5(13) .
N2 C1 N1 117.5(12) .
C11 C1 N1 119.0(12) .
N4 C2 N3 116.9(11) .
N4 C2 C21 121.9(11) .
N3 C2 C21 121.1(12) .
N6 C3 C31 125.9(13) .
N6 C3 N5 115.0(12) .
C31 C3 N5 119.0(14) .
N8 C4 N7 117.0(12) .
N8 C4 C41 121.7(12) .
N7 C4 C41 121.4(12) .
N10 C5 C51 125.6(14) .
N10 C5 N9 115.5(13) .
C51 C5 N9 118.7(14) .
N12 C6 N11 119.2(12) .
N12 C6 C61 121.0(12) .
N11 C6 C61 119.7(11) .
C71 C7 N13 121.2(11) .
C71 C7 N14 125.7(12) .
N13 C7 N14 112.6(11) .
N16 C8 N15 117.7(12) .
N16 C8 C81 120.8(13) .
N15 C8 C81 121.4(12) .
C1 C11 C12 126.3(16) .
C11 C12 C13 112.1(17) .
C14 C13 C12 121.6(16) .
C13 C14 N1 125.0(16) .
C20 C15 C16 121.4(15) .
C20 C15 N2 120.1(13) .
C16 C15 N2 117.8(13) .
C15 C16 C17 119.4(15) .
C18 C17 C16 119.0(16) .
C17 C18 C19 120.4(19) .
C18 C19 C20 122(2) .
C15 C20 C19 117.5(17) .
C22 C21 C2 118.9(13) .
C21 C22 C23 119.4(15) .
C24 C23 C22 119.0(15) .
C23 C24 N3 124.8(13) .
C26 C25 C30 124.0(14) .
C26 C25 N4 118.4(14) .
C30 C25 N4 117.5(13) .
C27 C26 C25 117.4(16) .
C28 C27 C26 121.7(16) .
C27 C28 C29 120.9(15) .
C28 C29 C30 120.4(17) .
C25 C30 C29 115.2(17) .
C32 C31 C3 124.3(16) .
C31 C32 C33 116.0(17) .
C34 C33 C32 119.5(16) .
C33 C34 N5 124.7(14) .
C36 C35 C40 118.9(13) .
C36 C35 N6 122.2(13) .
C40 C35 N6 118.6(12) .
C35 C36 C37 120.6(16) .
C38 C37 C36 120.5(18) .
C37 C38 C39 121.0(17) .
C38 C39 C40 118.6(16) .
C35 C40 C39 119.8(14) .
C42 C41 C4 118.5(14) .
C41 C42 C43 119.4(15) .
C44 C43 C42 121.0(14) .
C43 C44 N7 121.0(14) .
C46 C45 C50 120.9(13) .
C46 C45 N8 120.5(13) .
C50 C45 N8 118.7(13) .
C45 C46 C47 120.1(15) .
C48 C47 C46 116.8(15) .
C49 C48 C47 121.0(14) .
C48 C49 C50 123.0(16) .
C49 C50 C45 117.6(15) .
C5 C51 C52 123.0(16) .
C51 C52 C53 117.6(17) .
C54 C53 C52 118.7(17) .
C53 C54 N9 122.8(14) .
C56 C55 C60 118.2(13) .
C56 C55 N10 121.5(12) .
C60 C55 N10 120.2(12) .
C57 C56 C55 123.0(14) .
C58 C57 C56 120.7(16) .
C57 C58 C59 120.6(15) .
C58 C59 C60 117.8(16) .
C55 C60 C59 119.6(15) .
C62 C61 C6 116.6(13) .
C61 C62 C63 122.7(15) .
C62 C63 C64 119.5(14) .
N11 C64 C63 120.5(13) .
C66 C65 C70 119.2(13) .
C66 C65 N12 121.2(13) .
C70 C65 N12 119.5(14) .
C65 C66 C67 117.0(18) .
C68 C67 C66 126(2) .
C67 C68 C69 119.5(18) .
C68 C69 C70 118.9(18) .
C69 C70 C65 119.7(16) .
C72 C71 C7 121.3(15) .
C71 C72 C73 117.7(18) .
C74 C73 C72 118.1(15) .
C73 C74 N13 123.9(15) .
C76 C75 C80 117.7(14) .
C76 C75 N14 122.6(13) .
C80 C75 N14 119.1(12) .
C77 C76 C75 125.2(16) .
C76 C77 C78 117.1(17) .
C77 C78 C79 123.8(18) .
C78 C79 C80 116.3(16) .
C75 C80 C79 119.7(15) .
C82 C81 C8 117.0(16) .
C81 C82 C83 119.2(15) .
C84 C83 C82 121.3(14) .
C83 C84 N15 120.7(15) .
C90 C85 C86 118.0(13) .
C90 C85 N16 120.9(12) .
C86 C85 N16 121.1(12) .
C85 C86 C87 120.3(15) .
C88 C87 C86 118.2(16) .
C89 C88 C87 121.4(15) .
C88 C89 C90 119.5(15) .
C85 C90 C89 122.2(14) .
C92 C91 Ru1 177.8(12) .
C91 C92 C92 176.1(19) 2_565
C94 C93 Ru4 178.0(15) .
C93 C94 C94 178(2) 2_675
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C91 2.047(14) .
Ru1 N1 2.077(11) .
Ru1 N3 2.083(10) .
Ru1 N5 2.084(11) .
Ru1 N7 2.091(10) .
Ru1 Ru2 2.3311(15) .
Ru2 N4 2.043(10) .
Ru2 N6 2.049(10) .
Ru2 N8 2.055(10) .
Ru2 N2 2.070(11) .
Ru3 N14 2.011(13) .
Ru3 N10 2.039(12) .
Ru3 N16 2.058(10) .
Ru3 N12 2.071(10) .
Ru3 Ru4 2.3325(15) .
Ru4 C93 2.015(15) .
Ru4 N9 2.097(11) .
Ru4 N15 2.102(10) .
Ru4 N11 2.107(10) .
Ru4 N13 2.117(12) .
N1 C14 1.387(16) .
N1 C1 1.399(16) .
N2 C1 1.343(15) .
N2 C15 1.409(16) .
N3 C24 1.352(16) .
N3 C2 1.358(15) .
N4 C2 1.331(15) .
N4 C25 1.468(16) .
N5 C34 1.384(16) .
N5 C3 1.397(16) .
N6 C3 1.342(16) .
N6 C35 1.403(15) .
N7 C4 1.362(15) .
N7 C44 1.372(15) .
N8 C4 1.356(15) .
N8 C45 1.420(15) .
N9 C54 1.355(16) .
N9 C5 1.407(17) .
N10 C5 1.334(16) .
N10 C55 1.435(15) .
N11 C64 1.335(15) .
N11 C6 1.342(15) .
N12 C6 1.330(14) .
N12 C65 1.422(15) .
N13 C74 1.333(16) .
N13 C7 1.369(15) .
N14 C7 1.393(15) .
N14 C75 1.466(16) .
N15 C8 1.358(16) .
N15 C84 1.363(16) .
N16 C8 1.351(16) .
N16 C85 1.414(16) .
C1 C11 1.392(18) .
C2 C21 1.435(17) .
C3 C31 1.390(18) .
C4 C41 1.418(17) .
C5 C51 1.336(19) .
C6 C61 1.454(17) .
C7 C71 1.350(17) .
C8 C81 1.449(19) .
C11 C12 1.395(19) .
C12 C13 1.44(2) .
C13 C14 1.34(2) .
C15 C20 1.289(19) .
C15 C16 1.387(18) .
C16 C17 1.406(19) .
C17 C18 1.32(2) .
C18 C19 1.33(2) .
C19 C20 1.43(2) .
C21 C22 1.346(19) .
C22 C23 1.39(2) .
C23 C24 1.339(19) .
C25 C26 1.408(19) .
C25 C30 1.41(2) .
C26 C27 1.38(2) .
C27 C28 1.36(2) .
C28 C29 1.41(2) .
C29 C30 1.43(2) .
C31 C32 1.39(2) .
C32 C33 1.40(2) .
C33 C34 1.37(2) .
C35 C36 1.317(18) .
C35 C40 1.380(18) .
C36 C37 1.38(2) .
C37 C38 1.32(2) .
C38 C39 1.33(2) .
C39 C40 1.406(18) .
C41 C42 1.372(19) .
C42 C43 1.37(2) .
C43 C44 1.365(19) .
C45 C46 1.353(18) .
C45 C50 1.411(18) .
C46 C47 1.445(19) .
C47 C48 1.42(2) .
C48 C49 1.31(2) .
C49 C50 1.39(2) .
C51 C52 1.39(2) .
C52 C53 1.41(2) .
C53 C54 1.35(2) .
C55 C56 1.344(17) .
C55 C60 1.371(18) .
C56 C57 1.332(19) .
C57 C58 1.32(2) .
C58 C59 1.39(2) .
C59 C60 1.41(2) .
C61 C62 1.335(18) .
C62 C63 1.35(2) .
C63 C64 1.38(2) .
C65 C66 1.362(19) .
C65 C70 1.408(18) .
C66 C67 1.37(2) .
C67 C68 1.30(3) .
C68 C69 1.35(3) .
C69 C70 1.39(2) .
C71 C72 1.34(2) .
C72 C73 1.44(2) .
C73 C74 1.33(2) .
C75 C76 1.360(17) .
C75 C80 1.375(18) .
C76 C77 1.33(2) .
C77 C78 1.34(2) .
C78 C79 1.39(2) .
C79 C80 1.43(2) .
C81 C82 1.381(19) .
C82 C83 1.41(2) .
C83 C84 1.36(2) .
C85 C90 1.366(17) .
C85 C86 1.392(17) .
C86 C87 1.41(2) .
C87 C88 1.37(2) .
C88 C89 1.36(2) .
C89 C90 1.367(19) .
C91 C92 1.258(16) .
C92 C92 1.33(2) 2_565
C93 C94 1.241(19) .
C94 C94 1.38(3) 2_675
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_4
C91 Ru1 Ru2 N4 -57(42) .
N1 Ru1 Ru2 N4 -75.8(4) .
N3 Ru1 Ru2 N4 14.0(4) .
N5 Ru1 Ru2 N4 103.6(4) .
N7 Ru1 Ru2 N4 -165.6(4) .
C91 Ru1 Ru2 N6 -145(42) .
N1 Ru1 Ru2 N6 -164.6(4) .
N3 Ru1 Ru2 N6 -74.8(4) .
N5 Ru1 Ru2 N6 14.7(4) .
N7 Ru1 Ru2 N6 105.6(4) .
C91 Ru1 Ru2 N8 124(42) .
N1 Ru1 Ru2 N8 104.9(4) .
N3 Ru1 Ru2 N8 -165.2(4) .
N5 Ru1 Ru2 N8 -75.7(4) .
N7 Ru1 Ru2 N8 15.1(4) .
C91 Ru1 Ru2 N2 35(42) .
N1 Ru1 Ru2 N2 15.9(4) .
N3 Ru1 Ru2 N2 105.7(4) .
N5 Ru1 Ru2 N2 -164.8(4) .
N7 Ru1 Ru2 N2 -73.9(4) .
N14 Ru3 Ru4 C93 112(100) .
N10 Ru3 Ru4 C93 -68(100) .
N16 Ru3 Ru4 C93 -158(100) .
N12 Ru3 Ru4 C93 21(100) .
N14 Ru3 Ru4 N9 164.5(4) .
N10 Ru3 Ru4 N9 -15.9(4) .
N16 Ru3 Ru4 N9 -106.1(4) .
N12 Ru3 Ru4 N9 73.7(4) .
N14 Ru3 Ru4 N15 -106.4(4) .
N10 Ru3 Ru4 N15 73.2(4) .
N16 Ru3 Ru4 N15 -16.9(4) .
N12 Ru3 Ru4 N15 162.8(4) .
N14 Ru3 Ru4 N11 73.9(4) .
N10 Ru3 Ru4 N11 -106.4(4) .
N16 Ru3 Ru4 N11 163.4(4) .
N12 Ru3 Ru4 N11 -16.8(4) .
N14 Ru3 Ru4 N13 -16.0(4) .
N10 Ru3 Ru4 N13 163.6(4) .
N16 Ru3 Ru4 N13 73.5(4) .
N12 Ru3 Ru4 N13 -106.8(4) .
C91 Ru1 N1 C14 -14.7(11) .
N3 Ru1 N1 C14 77.0(11) .
N5 Ru1 N1 C14 157(5) .
N7 Ru1 N1 C14 -106.6(11) .
Ru2 Ru1 N1 C14 165.1(11) .
C91 Ru1 N1 C1 161.0(10) .
N3 Ru1 N1 C1 -107.3(10) .
N5 Ru1 N1 C1 -28(6) .
N7 Ru1 N1 C1 69.1(10) .
Ru2 Ru1 N1 C1 -19.2(9) .
N4 Ru2 N2 C1 71.0(9) .
N6 Ru2 N2 C1 -154(32) .
N8 Ru2 N2 C1 -107.8(9) .
Ru1 Ru2 N2 C1 -18.3(9) .
N4 Ru2 N2 C15 -115.9(9) .
N6 Ru2 N2 C15 19(32) .
N8 Ru2 N2 C15 65.3(9) .
Ru1 Ru2 N2 C15 154.8(9) .
C91 Ru1 N3 C24 -16.9(13) .
N1 Ru1 N3 C24 -108.5(12) .
N5 Ru1 N3 C24 75.8(12) .
N7 Ru1 N3 C24 169(7) .
Ru2 Ru1 N3 C24 163.5(12) .
C91 Ru1 N3 C2 163.1(11) .
N1 Ru1 N3 C2 71.5(11) .
N5 Ru1 N3 C2 -104.1(11) .
N7 Ru1 N3 C2 -11(8) .
Ru2 Ru1 N3 C2 -16.4(10) .
N6 Ru2 N4 C2 72.6(10) .
N8 Ru2 N4 C2 13(17) .
N2 Ru2 N4 C2 -108.0(11) .
Ru1 Ru2 N4 C2 -17.5(10) .
N6 Ru2 N4 C25 -118.0(10) .
N8 Ru2 N4 C25 -178(100) .
N2 Ru2 N4 C25 61.5(10) .
Ru1 Ru2 N4 C25 151.9(10) .
C91 Ru1 N5 C34 -15.6(12) .
N1 Ru1 N5 C34 173(5) .
N3 Ru1 N5 C34 -107.3(11) .
N7 Ru1 N5 C34 76.4(11) .
Ru2 Ru1 N5 C34 164.6(11) .
C91 Ru1 N5 C3 161.8(10) .
N1 Ru1 N5 C3 -10(6) .
N3 Ru1 N5 C3 70.1(10) .
N7 Ru1 N5 C3 -106.3(10) .
Ru2 Ru1 N5 C3 -18.1(10) .
N4 Ru2 N6 C3 -106.8(10) .
N8 Ru2 N6 C3 72.0(10) .
N2 Ru2 N6 C3 118(32) .
Ru1 Ru2 N6 C3 -17.5(9) .
N4 Ru2 N6 C35 66.3(9) .
N8 Ru2 N6 C35 -114.9(9) .
N2 Ru2 N6 C35 -68(32) .
Ru1 Ru2 N6 C35 155.5(9) .
C91 Ru1 N7 C4 162.9(11) .
N1 Ru1 N7 C4 -105.5(10) .
N3 Ru1 N7 C4 -23(8) .
N5 Ru1 N7 C4 70.1(10) .
Ru2 Ru1 N7 C4 -17.5(10) .
C91 Ru1 N7 C44 -16.7(12) .
N1 Ru1 N7 C44 74.9(12) .
N3 Ru1 N7 C44 157(7) .
N5 Ru1 N7 C44 -109.5(12) .
Ru2 Ru1 N7 C44 162.9(12) .
N4 Ru2 N8 C4 -49(17) .
N6 Ru2 N8 C4 -108.7(10) .
N2 Ru2 N8 C4 71.8(11) .
Ru1 Ru2 N8 C4 -18.7(10) .
N4 Ru2 N8 C45 122(16) .
N6 Ru2 N8 C45 62.2(10) .
N2 Ru2 N8 C45 -117.2(10) .
Ru1 Ru2 N8 C45 152.3(10) .
C93 Ru4 N9 C54 15.0(12) .
N15 Ru4 N9 C54 107.0(12) .
N11 Ru4 N9 C54 -76.3(12) .
N13 Ru4 N9 C54 -171(5) .
Ru3 Ru4 N9 C54 -164.9(12) .
C93 Ru4 N9 C5 -160.5(10) .
N15 Ru4 N9 C5 -68.4(10) .
N11 Ru4 N9 C5 108.2(10) .
N13 Ru4 N9 C5 14(6) .
Ru3 Ru4 N9 C5 19.7(9) .
N14 Ru3 N10 C5 38(21) .
N16 Ru3 N10 C5 107.7(10) .
N12 Ru3 N10 C5 -70.0(10) .
Ru4 Ru3 N10 C5 18.5(10) .
N14 Ru3 N10 C55 -135(20) .
N16 Ru3 N10 C55 -65.5(9) .
N12 Ru3 N10 C55 116.8(8) .
Ru4 Ru3 N10 C55 -154.8(8) .
C93 Ru4 N11 C64 17.0(11) .
N9 Ru4 N11 C64 108.5(11) .
N15 Ru4 N11 C64 -168(7) .
N13 Ru4 N11 C64 -75.8(11) .
Ru3 Ru4 N11 C64 -163.2(10) .
C93 Ru4 N11 C6 -161.4(11) .
N9 Ru4 N11 C6 -69.9(10) .
N15 Ru4 N11 C6 13(7) .
N13 Ru4 N11 C6 105.8(10) .
Ru3 Ru4 N11 C6 18.4(10) .
N14 Ru3 N12 C6 -67.7(11) .
N10 Ru3 N12 C6 111.2(11) .
N16 Ru3 N12 C6 27(11) .
Ru4 Ru3 N12 C6 21.9(10) .
N14 Ru3 N12 C65 119.7(10) .
N10 Ru3 N12 C65 -61.3(10) .
N16 Ru3 N12 C65 -145(10) .
Ru4 Ru3 N12 C65 -150.6(10) .
C93 Ru4 N13 C74 15.5(13) .
N9 Ru4 N13 C74 -159(5) .
N15 Ru4 N13 C74 -76.6(12) .
N11 Ru4 N13 C74 106.8(12) .
Ru3 Ru4 N13 C74 -164.7(12) .
C93 Ru4 N13 C7 -158.3(11) .
N9 Ru4 N13 C7 28(6) .
N15 Ru4 N13 C7 109.6(10) .
N11 Ru4 N13 C7 -67.0(10) .
Ru3 Ru4 N13 C7 21.6(9) .
N10 Ru3 N14 C7 -2(21) .
N16 Ru3 N14 C7 -71.5(10) .
N12 Ru3 N14 C7 106.2(10) .
Ru4 Ru3 N14 C7 17.8(9) .
N10 Ru3 N14 C75 -175(100) .
N16 Ru3 N14 C75 114.8(9) .
N12 Ru3 N14 C75 -67.5(9) .
Ru4 Ru3 N14 C75 -155.9(9) .
C93 Ru4 N15 C8 -161.6(11) .
N9 Ru4 N15 C8 106.8(10) .
N11 Ru4 N15 C8 24(7) .
N13 Ru4 N15 C8 -68.8(10) .
Ru3 Ru4 N15 C8 18.5(10) .
C93 Ru4 N15 C84 16.7(12) .
N9 Ru4 N15 C84 -74.8(11) .
N11 Ru4 N15 C84 -158(7) .
N13 Ru4 N15 C84 109.5(11) .
Ru3 Ru4 N15 C84 -163.1(11) .
N14 Ru3 N16 C8 111.6(10) .
N10 Ru3 N16 C8 -67.4(10) .
N12 Ru3 N16 C8 16(11) .
Ru4 Ru3 N16 C8 21.9(10) .
N14 Ru3 N16 C85 -60.0(10) .
N10 Ru3 N16 C85 121.1(10) .
N12 Ru3 N16 C85 -155(10) .
Ru4 Ru3 N16 C85 -149.6(9) .
C15 N2 C1 C11 17.7(19) .
Ru2 N2 C1 C11 -169.1(10) .
C15 N2 C1 N1 -165.1(11) .
Ru2 N2 C1 N1 8.0(15) .
C14 N1 C1 N2 -173.7(12) .
Ru1 N1 C1 N2 10.2(16) .
C14 N1 C1 C11 3.5(18) .
Ru1 N1 C1 C11 -172.5(10) .
C25 N4 C2 N3 -160.4(12) .
Ru2 N4 C2 N3 9.1(17) .
C25 N4 C2 C21 19(2) .
Ru2 N4 C2 C21 -171.5(10) .
C24 N3 C2 N4 -172.3(13) .
Ru1 N3 C2 N4 7.6(17) .
C24 N3 C2 C21 8(2) .
Ru1 N3 C2 C21 -171.8(10) .
C35 N6 C3 C31 19(2) .
Ru2 N6 C3 C31 -167.9(12) .
C35 N6 C3 N5 -165.4(11) .
Ru2 N6 C3 N5 7.8(15) .
C34 N5 C3 N6 -172.9(12) .
Ru1 N5 C3 N6 9.6(15) .
C34 N5 C3 C31 3.2(19) .
Ru1 N5 C3 C31 -174.3(11) .
C45 N8 C4 N7 -161.2(12) .
Ru2 N8 C4 N7 9.7(17) .
C45 N8 C4 C41 19(2) .
Ru2 N8 C4 C41 -170.0(10) .
C44 N7 C4 N8 -172.4(13) .
Ru1 N7 C4 N8 8.0(17) .
C44 N7 C4 C41 7(2) .
Ru1 N7 C4 C41 -172.4(10) .
C55 N10 C5 C51 -20(2) .
Ru3 N10 C5 C51 166.6(12) .
C55 N10 C5 N9 165.7(10) .
Ru3 N10 C5 N9 -7.5(16) .
C54 N9 C5 N10 173.3(13) .
Ru4 N9 C5 N10 -11.1(15) .
C54 N9 C5 C51 -1(2) .
Ru4 N9 C5 C51 174.3(11) .
C65 N12 C6 N11 159.3(13) .
Ru3 N12 C6 N11 -13.0(18) .
C65 N12 C6 C61 -19(2) .
Ru3 N12 C6 C61 168.3(10) .
C64 N11 C6 N12 174.9(12) .
Ru4 N11 C6 N12 -6.7(17) .
C64 N11 C6 C61 -6(2) .
Ru4 N11 C6 C61 172.1(10) .
C74 N13 C7 C71 0(2) .
Ru4 N13 C7 C71 173.8(10) .
C74 N13 C7 N14 172.4(12) .
Ru4 N13 C7 N14 -13.6(14) .
C75 N14 C7 C71 -19.4(18) .
Ru3 N14 C7 C71 166.6(11) .
C75 N14 C7 N13 168.4(10) .
Ru3 N14 C7 N13 -5.6(14) .
C85 N16 C8 N15 158.5(12) .
Ru3 N16 C8 N15 -12.9(17) .
C85 N16 C8 C81 -19(2) .
Ru3 N16 C8 C81 169.8(11) .
C84 N15 C8 N16 174.8(13) .
Ru4 N15 C8 N16 -6.8(17) .
C84 N15 C8 C81 -8(2) .
Ru4 N15 C8 C81 170.5(11) .
N2 C1 C11 C12 176.6(14) .
N1 C1 C11 C12 0(2) .
C1 C11 C12 C13 -2(2) .
C11 C12 C13 C14 2(2) .
C12 C13 C14 N1 1(3) .
C1 N1 C14 C13 -4(2) .
Ru1 N1 C14 C13 171.9(13) .
C1 N2 C15 C20 61.4(19) .
Ru2 N2 C15 C20 -111.7(16) .
C1 N2 C15 C16 -127.9(13) .
Ru2 N2 C15 C16 59.0(14) .
C20 C15 C16 C17 -3(2) .
N2 C15 C16 C17 -173.5(12) .
C15 C16 C17 C18 1(2) .
C16 C17 C18 C19 -1(3) .
C17 C18 C19 C20 3(3) .
C16 C15 C20 C19 4(3) .
N2 C15 C20 C19 174.6(14) .
C18 C19 C20 C15 -4(3) .
N4 C2 C21 C22 177.7(14) .
N3 C2 C21 C22 -3(2) .
C2 C21 C22 C23 -2(3) .
C21 C22 C23 C24 1(3) .
C22 C23 C24 N3 5(3) .
C2 N3 C24 C23 -10(3) .
Ru1 N3 C24 C23 170.5(15) .
C2 N4 C25 C26 -113.9(15) .
Ru2 N4 C25 C26 76.3(15) .
C2 N4 C25 C30 68.0(17) .
Ru2 N4 C25 C30 -101.8(12) .
C30 C25 C26 C27 3(2) .
N4 C25 C26 C27 -175.3(14) .
C25 C26 C27 C28 -3(3) .
C26 C27 C28 C29 -1(3) .
C27 C28 C29 C30 6(3) .
C26 C25 C30 C29 2(2) .
N4 C25 C30 C29 179.7(12) .
C28 C29 C30 C25 -6(2) .
N6 C3 C31 C32 175.8(16) .
N5 C3 C31 C32 0(2) .
C3 C31 C32 C33 -5(3) .
C31 C32 C33 C34 6(3) .
C32 C33 C34 N5 -3(3) .
C3 N5 C34 C33 -2(2) .
Ru1 N5 C34 C33 175.4(13) .
C3 N6 C35 C36 57.8(18) .
Ru2 N6 C35 C36 -115.5(14) .
C3 N6 C35 C40 -128.4(13) .
Ru2 N6 C35 C40 58.2(14) .
C40 C35 C36 C37 -3(3) .
N6 C35 C36 C37 170.5(16) .
C35 C36 C37 C38 8(3) .
C36 C37 C38 C39 -10(3) .
C37 C38 C39 C40 6(3) .
C36 C35 C40 C39 0(2) .
N6 C35 C40 C39 -174.4(12) .
C38 C39 C40 C35 -1(2) .
N8 C4 C41 C42 178.3(15) .
N7 C4 C41 C42 -1(2) .
C4 C41 C42 C43 -2(3) .
C41 C42 C43 C44 -2(3) .
C42 C43 C44 N7 8(3) .
C4 N7 C44 C43 -11(2) .
Ru1 N7 C44 C43 169.1(13) .
C4 N8 C45 C46 65.4(18) .
Ru2 N8 C45 C46 -105.7(13) .
C4 N8 C45 C50 -114.4(15) .
Ru2 N8 C45 C50 74.6(14) .
C50 C45 C46 C47 -2(2) .
N8 C45 C46 C47 178.6(12) .
C45 C46 C47 C48 -3(2) .
C46 C47 C48 C49 1(2) .
C47 C48 C49 C50 5(3) .
C48 C49 C50 C45 -9(3) .
C46 C45 C50 C49 8(2) .
N8 C45 C50 C49 -172.6(13) .
N10 C5 C51 C52 -171.7(15) .
N9 C5 C51 C52 2(2) .
C5 C51 C52 C53 2(3) .
C51 C52 C53 C54 -6(3) .
C52 C53 C54 N9 8(3) .
C5 N9 C54 C53 -4(2) .
Ru4 N9 C54 C53 -179.3(14) .
C5 N10 C55 C56 119.1(16) .
Ru3 N10 C55 C56 -67.4(15) .
C5 N10 C55 C60 -65.4(16) .
Ru3 N10 C55 C60 108.2(14) .
C60 C55 C56 C57 2(2) .
N10 C55 C56 C57 177.3(15) .
C55 C56 C57 C58 -1(3) .
C56 C57 C58 C59 0(3) .
C57 C58 C59 C60 -1(3) .
C56 C55 C60 C59 -2(2) .
N10 C55 C60 C59 -178.1(15) .
C58 C59 C60 C55 2(3) .
N12 C6 C61 C62 -177.3(15) .
N11 C6 C61 C62 4(2) .
C6 C61 C62 C63 0(3) .
C61 C62 C63 C64 -2(3) .
C6 N11 C64 C63 4(2) .
Ru4 N11 C64 C63 -174.1(12) .
C62 C63 C64 N11 0(3) .
C6 N12 C65 C66 -59.8(19) .
Ru3 N12 C65 C66 112.6(12) .
C6 N12 C65 C70 123.7(14) .
Ru3 N12 C65 C70 -63.9(14) .
C70 C65 C66 C67 -1(2) .
N12 C65 C66 C67 -177.5(13) .
C65 C66 C67 C68 -2(3) .
C66 C67 C68 C69 5(3) .
C67 C68 C69 C70 -5(3) .
C68 C69 C70 C65 3(2) .
C66 C65 C70 C69 0(2) .
N12 C65 C70 C69 176.9(13) .
N13 C7 C71 C72 -1(2) .
N14 C7 C71 C72 -172.3(14) .
C7 C71 C72 C73 2(3) .
C71 C72 C73 C74 -3(3) .
C72 C73 C74 N13 2(3) .
C7 N13 C74 C73 -1(3) .
Ru4 N13 C74 C73 -174.6(15) .
C7 N14 C75 C76 124.5(14) .
Ru3 N14 C75 C76 -61.3(16) .
C7 N14 C75 C80 -64.8(17) .
Ru3 N14 C75 C80 109.4(13) .
C80 C75 C76 C77 0(2) .
N14 C75 C76 C77 171.0(15) .
C75 C76 C77 C78 3(3) .
C76 C77 C78 C79 -3(3) .
C77 C78 C79 C80 0(3) .
C76 C75 C80 C79 -3(2) .
N14 C75 C80 C79 -174.2(13) .
C78 C79 C80 C75 3(2) .
N16 C8 C81 C82 -174.8(14) .
N15 C8 C81 C82 8(2) .
C8 C81 C82 C83 -3(2) .
C81 C82 C83 C84 -3(3) .
C82 C83 C84 N15 3(3) .
C8 N15 C84 C83 2(2) .
Ru4 N15 C84 C83 -176.0(12) .
C8 N16 C85 C90 -60.8(18) .
Ru3 N16 C85 C90 110.7(12) .
C8 N16 C85 C86 119.8(14) .
Ru3 N16 C85 C86 -68.7(14) .
C90 C85 C86 C87 -4(2) .
N16 C85 C86 C87 175.5(13) .
C85 C86 C87 C88 7(2) .
C86 C87 C88 C89 -7(3) .
C87 C88 C89 C90 4(3) .
C86 C85 C90 C89 1(2) .
N16 C85 C90 C89 -178.6(13) .
C88 C89 C90 C85 -1(2) .
N1 Ru1 C91 C92 172(100) .
N3 Ru1 C91 C92 83(31) .
N5 Ru1 C91 C92 -7(31) .
N7 Ru1 C91 C92 -98(31) .
Ru2 Ru1 C91 C92 153(30) .
Ru1 C91 C92 C92 -155(23) 2_565
N9 Ru4 C93 C94 125(46) .
N15 Ru4 C93 C94 36(46) .
N11 Ru4 C93 C94 -144(46) .
N13 Ru4 C93 C94 -54(46) .
Ru3 Ru4 C93 C94 178(100) .
Ru4 C93 C94 C94 170(53) 2_675
