#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:55:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179161 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312242.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_4312242
loop_
_publ_author_name
'F. Albert Cotton'
'Carlos A. Murillo'
'Joseph H. Reibenspies'
'Dino Villagrán'
'Xiaoping Wang'
'Chad C. Wilkinson'
_publ_contact_author_address
;  Laboratory for Molecular Structure and Bonding
   Dept. of Chemistry
   Texas A&M University, PO Box  30012
   College Station, TX 77842-3012, USA
;
_publ_contact_author_email       cotton@tamu.edu
_publ_contact_author_fax         '(979) 845 9351'
_publ_contact_author_name        'F. A. Cotton'
_publ_contact_author_phone       '(979) 845 4432'
_publ_section_title
;
 Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in
 a Ru26+ Core: Structural Evidence for Zero-Field Splitting
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8373
_journal_page_last               8378
_journal_paper_doi               10.1021/ic048946n
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C30 H48 F6 N12 O6 Ru2 S2'
_chemical_formula_sum            'C30 H48 F6 N12 O6 Ru2 S2'
_chemical_formula_weight         1053.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.4930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5202(9)
_cell_length_b                   15.4928(9)
_cell_length_c                   17.0295(10)
_cell_measurement_reflns_used    9628
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.500
_cell_measurement_theta_min      2.5535
_cell_volume                     3835.6(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    XP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       /w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0288
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            20712
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  0.8049
_exptl_absorpt_correction_T_min  0.6652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.23
_refine_diff_density_max         5.308
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7107
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0914P)²+8.5256P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1535
_reflns_number_gt                5911
_reflns_number_total             7107
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic048946nsi20040802_060545_7.cif
_cod_data_source_block           cmpd2_at_100K
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4312242
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.23073(2) 0.57500(2) 0.24977(2) 0.01701(13) Uani 1 1 d . . .
Ru2 Ru 0.27941(2) 0.43516(2) 0.26065(2) 0.01698(14) Uani 1 1 d . . .
S2 S 0.37901(7) 0.20504(7) 0.30306(7) 0.0216(2) Uani 1 1 d . . .
S1 S 0.10757(7) 0.78684(7) 0.19701(7) 0.0220(2) Uani 1 1 d . . .
F3 F 0.2465(2) 0.87998(18) 0.19159(18) 0.0360(7) Uani 1 1 d . . .
N4 N 0.2018(3) 0.5650(2) 0.3572(2) 0.0219(8) Uani 1 1 d . . .
O3 O 0.1748(2) 0.71941(18) 0.23613(18) 0.0219(6) Uani 1 1 d . . .
F6 F 0.2517(2) 0.12030(19) 0.18467(18) 0.0438(8) Uani 1 1 d . . .
F2 F 0.2179(2) 0.89288(18) 0.30608(17) 0.0407(7) Uani 1 1 d . . .
F5 F 0.3332(2) 0.04148(18) 0.2884(2) 0.0446(8) Uani 1 1 d . . .
F4 F 0.2292(2) 0.1250(2) 0.3028(2) 0.0463(8) Uani 1 1 d . . .
N8 N 0.4045(2) 0.4756(2) 0.3427(2) 0.0202(7) Uani 1 1 d . . .
F1 F 0.1297(2) 0.95436(18) 0.1927(2) 0.0435(7) Uani 1 1 d . . .
O6 O 0.3237(2) 0.28225(19) 0.27283(19) 0.0238(6) Uani 1 1 d . . .
O5 O 0.4420(2) 0.1868(2) 0.2605(2) 0.0317(7) Uani 1 1 d . . .
N7 N 0.3585(2) 0.6177(2) 0.3190(2) 0.0204(7) Uani 1 1 d . . .
O2 O 0.0417(2) 0.8012(2) 0.2370(2) 0.0333(8) Uani 1 1 d . . .
N5 N 0.2236(2) 0.4188(2) 0.3527(2) 0.0193(7) Uani 1 1 d . . .
N11 N 0.3264(2) 0.4501(2) 0.1645(2) 0.0221(8) Uani 1 1 d . . .
N10 N 0.2653(2) 0.5872(2) 0.1449(2) 0.0174(7) Uani 1 1 d . . .
N3 N 0.0009(3) 0.4240(2) 0.1048(2) 0.0220(8) Uani 1 1 d . . .
C18 C 0.4257(3) 0.5603(3) 0.3545(3) 0.0195(9) Uani 1 1 d . . .
O1 O 0.0723(2) 0.7853(2) 0.10674(19) 0.0315(7) Uani 1 1 d . . .
N2 N 0.1587(2) 0.3978(2) 0.1744(2) 0.0219(8) Uani 1 1 d . . .
O4 O 0.4135(2) 0.1958(2) 0.39284(19) 0.0325(7) Uani 1 1 d . . .
N1 N 0.0991(2) 0.5312(2) 0.1871(2) 0.0243(8) Uani 1 1 d . . .
N9 N 0.5127(2) 0.5848(2) 0.4021(2) 0.0222(8) Uani 1 1 d . . .
C21 C 0.4793(3) 0.4159(3) 0.3812(4) 0.0372(12) Uani 1 1 d . . .
H21A H 0.4629 0.3582 0.3552 0.045 Uiso 1 1 calc R . .
H21B H 0.4891 0.4103 0.4417 0.045 Uiso 1 1 calc R . .
C25 C 0.3113(3) 0.5245(3) 0.1209(2) 0.0181(8) Uani 1 1 d . . .
C1 C 0.0165(3) 0.5739(3) 0.1901(3) 0.0323(11) Uani 1 1 d . . .
H1B H 0.0311 0.6339 0.2105 0.039 Uiso 1 1 calc R . .
H1C H -0.0074 0.5428 0.2290 0.039 Uiso 1 1 calc R . .
C4 C 0.0861(3) 0.4505(3) 0.1553(3) 0.0215(9) Uani 1 1 d . . .
C22 C 0.2540(3) 0.6687(3) 0.0987(3) 0.0271(10) Uani 1 1 d . . .
H22A H 0.2398 0.7154 0.1319 0.033 Uiso 1 1 calc R . .
H22B H 0.2015 0.6635 0.0451 0.033 Uiso 1 1 calc R . .
C29 C 0.1801(3) 0.8840(3) 0.2236(3) 0.0279(10) Uani 1 1 d . . .
N6 N 0.1555(3) 0.4752(2) 0.4469(2) 0.0249(8) Uani 1 1 d . . .
C6 C 0.0596(3) 0.2745(3) 0.1190(3) 0.0290(10) Uani 1 1 d . . .
H6A H 0.0516 0.2216 0.0846 0.035 Uiso 1 1 calc R . .
H6B H 0.0643 0.2572 0.1764 0.035 Uiso 1 1 calc R . .
C11 C 0.1926(3) 0.4857(3) 0.3852(3) 0.0203(8) Uani 1 1 d . . .
C16 C 0.4511(3) 0.7290(3) 0.4114(3) 0.0267(9) Uani 1 1 d . . .
H16A H 0.4232 0.7149 0.4540 0.032 Uiso 1 1 calc R . .
H16B H 0.4673 0.7910 0.4162 0.032 Uiso 1 1 calc R . .
C13 C 0.1905(3) 0.3221(3) 0.4544(3) 0.0304(10) Uani 1 1 d . . .
H13A H 0.1653 0.2645 0.4596 0.037 Uiso 1 1 calc R . .
H13B H 0.2529 0.3264 0.4972 0.037 Uiso 1 1 calc R . .
C7 C 0.1470(3) 0.3209(3) 0.1221(3) 0.0284(10) Uani 1 1 d . . .
H7A H 0.2006 0.2821 0.1458 0.034 Uiso 1 1 calc R . .
H7B H 0.1429 0.3375 0.0648 0.034 Uiso 1 1 calc R . .
C15 C 0.3845(3) 0.7097(3) 0.3255(3) 0.0275(10) Uani 1 1 d . . .
H15A H 0.3289 0.7460 0.3140 0.033 Uiso 1 1 calc R . .
H15B H 0.4129 0.7237 0.2832 0.033 Uiso 1 1 calc R . .
C2 C -0.0536(4) 0.5742(3) 0.1043(3) 0.0373(13) Uani 1 1 d . . .
H2B H -0.0294 0.6056 0.0658 0.045 Uiso 1 1 calc R . .
H2C H -0.1096 0.6044 0.1049 0.045 Uiso 1 1 calc R . .
C28 C 0.3770(3) 0.3831(3) 0.1377(3) 0.0316(10) Uani 1 1 d . . .
H28A H 0.3669 0.3263 0.1597 0.038 Uiso 1 1 calc R . .
H28B H 0.4437 0.3959 0.1603 0.038 Uiso 1 1 calc R . .
C3 C -0.0781(3) 0.4816(3) 0.0730(3) 0.0282(10) Uani 1 1 d . . .
H3A H -0.1282 0.4602 0.0913 0.034 Uiso 1 1 calc R . .
H3B H -0.1008 0.4812 0.0110 0.034 Uiso 1 1 calc R . .
C20 C 0.5658(3) 0.4461(3) 0.3709(3) 0.0335(11) Uani 1 1 d . . .
H20A H 0.5558 0.4550 0.3108 0.040 Uiso 1 1 calc R . .
H20B H 0.6150 0.4026 0.3936 0.040 Uiso 1 1 calc R . .
C10 C 0.1110(3) 0.5488(3) 0.4702(3) 0.0304(10) Uani 1 1 d . . .
H10A H 0.1025 0.5371 0.5242 0.036 Uiso 1 1 calc R . .
H10B H 0.0496 0.5584 0.4269 0.036 Uiso 1 1 calc R . .
C24 C 0.3577(3) 0.6214(3) 0.0268(3) 0.0263(10) Uani 1 1 d . . .
H24A H 0.3178 0.6304 -0.0323 0.032 Uiso 1 1 calc R . .
H24B H 0.4226 0.6245 0.0300 0.032 Uiso 1 1 calc R . .
C27 C 0.3436(3) 0.3801(3) 0.0419(3) 0.0279(10) Uani 1 1 d . . .
H27A H 0.3738 0.3322 0.0229 0.034 Uiso 1 1 calc R . .
H27B H 0.2762 0.3711 0.0186 0.034 Uiso 1 1 calc R . .
C26 C 0.3683(4) 0.4651(3) 0.0132(3) 0.0310(11) Uani 1 1 d . . .
H26A H 0.4356 0.4679 0.0264 0.037 Uiso 1 1 calc R . .
H26B H 0.3379 0.4703 -0.0483 0.037 Uiso 1 1 calc R . .
C8 C 0.1867(4) 0.6437(3) 0.3990(3) 0.0356(11) Uani 1 1 d . . .
H8A H 0.1335 0.6753 0.3599 0.043 Uiso 1 1 calc R . .
H8B H 0.2414 0.6814 0.4113 0.043 Uiso 1 1 calc R . .
N12 N 0.3395(3) 0.5365(2) 0.0545(2) 0.0235(8) Uani 1 1 d . . .
C14 C 0.1963(3) 0.3315(3) 0.3687(3) 0.0313(11) Uani 1 1 d . . .
H14A H 0.2414 0.2894 0.3624 0.038 Uiso 1 1 calc R . .
H14B H 0.1356 0.3176 0.3261 0.038 Uiso 1 1 calc R . .
C12 C 0.1302(3) 0.3908(3) 0.4694(3) 0.0286(10) Uani 1 1 d . . .
H12A H 0.0651 0.3785 0.4356 0.034 Uiso 1 1 calc R . .
H12B H 0.1364 0.3908 0.5293 0.034 Uiso 1 1 calc R . .
C9 C 0.1695(4) 0.6274(3) 0.4780(3) 0.0365(12) Uani 1 1 d . . .
H9A H 0.1382 0.6780 0.4914 0.044 Uiso 1 1 calc R . .
H9B H 0.2288 0.6193 0.5244 0.044 Uiso 1 1 calc R . .
C5 C -0.0219(3) 0.3330(3) 0.0820(3) 0.0243(9) Uani 1 1 d . . .
H5B H -0.0447 0.3274 0.0201 0.029 Uiso 1 1 calc R . .
H5C H -0.0719 0.3148 0.1018 0.029 Uiso 1 1 calc R . .
C30 C 0.2944(3) 0.1182(3) 0.2681(3) 0.0308(10) Uani 1 1 d . . .
C17 C 0.5361(3) 0.6750(3) 0.4257(3) 0.0238(9) Uani 1 1 d . . .
H17A H 0.5714 0.6988 0.3922 0.029 Uiso 1 1 calc R . .
H17B H 0.5756 0.6780 0.4855 0.029 Uiso 1 1 calc R . .
C19 C 0.5928(3) 0.5292(3) 0.4176(3) 0.0315(11) Uani 1 1 d . . .
H19A H 0.6208 0.5172 0.4784 0.038 Uiso 1 1 calc R . .
H19B H 0.6392 0.5589 0.3996 0.038 Uiso 1 1 calc R . .
C23 C 0.3397(3) 0.6916(3) 0.0807(3) 0.0258(9) Uani 1 1 d . . .
H23A H 0.3926 0.6967 0.1339 0.031 Uiso 1 1 calc R . .
H23B H 0.3313 0.7477 0.0512 0.031 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N7 Ru1 N4 88.89(14) . . ?
N7 Ru1 N10 88.59(14) . . ?
N4 Ru1 N10 177.48(14) . . ?
N7 Ru1 N1 176.03(14) . . ?
N4 Ru1 N1 87.14(15) . . ?
N10 Ru1 N1 95.38(14) . . ?
N7 Ru1 Ru2 91.95(10) . . ?
N4 Ru1 Ru2 91.46(10) . . ?
N10 Ru1 Ru2 88.76(10) . . ?
N1 Ru1 Ru2 88.24(10) . . ?
N7 Ru1 O3 89.95(12) . . ?
N4 Ru1 O3 88.38(12) . . ?
N10 Ru1 O3 91.49(12) . . ?
N1 Ru1 O3 89.85(12) . . ?
Ru2 Ru1 O3 178.09(7) . . y
N2 Ru2 N11 87.12(15) . . ?
N2 Ru2 N8 176.63(14) . . ?
N11 Ru2 N8 89.58(14) . . ?
N2 Ru2 N5 89.33(14) . . ?
N11 Ru2 N5 176.40(14) . . ?
N8 Ru2 N5 93.97(14) . . ?
N2 Ru2 Ru1 90.96(10) . . ?
N11 Ru2 Ru1 91.62(10) . . ?
N8 Ru2 Ru1 88.46(9) . . ?
N5 Ru2 Ru1 87.86(10) . . ?
N2 Ru2 O6 86.89(12) . . ?
N11 Ru2 O6 90.54(12) . . ?
N8 Ru2 O6 93.81(12) . . ?
N5 Ru2 O6 89.84(12) . . ?
Ru1 Ru2 O6 176.88(7) . . y
O5 S2 O4 116.9(2) . . ?
O5 S2 O6 113.83(19) . . ?
O4 S2 O6 114.27(19) . . ?
O5 S2 C30 103.3(2) . . ?
O4 S2 C30 103.3(2) . . ?
O6 S2 C30 102.8(2) . . ?
O2 S1 O1 116.3(2) . . ?
O2 S1 O3 114.16(19) . . ?
O1 S1 O3 114.73(18) . . ?
O2 S1 C29 103.4(2) . . ?
O1 S1 C29 104.4(2) . . ?
O3 S1 C29 101.26(19) . . ?
C11 N4 C8 122.1(4) . . ?
C11 N4 Ru1 118.3(3) . . ?
C8 N4 Ru1 119.6(3) . . ?
S1 O3 Ru1 153.32(18) . . ?
C18 N8 C21 116.0(4) . . ?
C18 N8 Ru2 121.3(3) . . ?
C21 N8 Ru2 122.0(3) . . ?
S2 O6 Ru2 159.20(19) . . ?
C18 N7 C15 117.3(4) . . ?
C18 N7 Ru1 119.5(3) . . ?
C15 N7 Ru1 123.0(3) . . ?
C11 N5 C14 117.9(3) . . ?
C11 N5 Ru2 121.8(3) . . ?
C14 N5 Ru2 118.6(3) . . ?
C25 N11 C28 116.3(4) . . ?
C25 N11 Ru2 120.1(3) . . ?
C28 N11 Ru2 123.6(3) . . ?
C25 N10 C22 115.7(3) . . ?
C25 N10 Ru1 121.7(3) . . ?
C22 N10 Ru1 122.0(3) . . ?
C4 N3 C3 123.6(4) . . ?
C4 N3 C5 123.0(4) . . ?
C3 N3 C5 113.2(3) . . ?
N7 C18 N8 117.8(4) . . ?
N7 C18 N9 122.3(4) . . ?
N8 C18 N9 119.8(4) . . ?
C4 N2 C7 115.9(4) . . ?
C4 N2 Ru2 119.3(3) . . ?
C7 N2 Ru2 124.3(3) . . ?
C4 N1 C1 115.1(4) . . ?
C4 N1 Ru1 119.7(3) . . ?
C1 N1 Ru1 123.8(3) . . ?
C18 N9 C19 123.1(4) . . ?
C18 N9 C17 121.9(4) . . ?
C19 N9 C17 113.6(3) . . ?
N8 C21 C20 111.0(4) . . ?
N11 C25 N10 117.2(4) . . ?
N11 C25 N12 122.0(4) . . ?
N10 C25 N12 120.8(4) . . ?
N1 C1 C2 108.5(4) . . ?
N2 C4 N1 118.3(4) . . ?
N2 C4 N3 121.2(4) . . ?
N1 C4 N3 120.5(4) . . ?
N10 C22 C23 111.3(3) . . ?
F3 C29 F2 108.7(4) . . ?
F3 C29 F1 107.9(4) . . ?
F2 C29 F1 108.3(4) . . ?
F3 C29 S1 110.9(3) . . ?
F2 C29 S1 110.6(3) . . ?
F1 C29 S1 110.3(3) . . ?
C11 N6 C12 122.2(4) . . ?
C11 N6 C10 118.7(4) . . ?
C12 N6 C10 115.7(4) . . ?
C5 C6 C7 109.8(4) . . ?
N5 C11 N4 117.5(4) . . ?
N5 C11 N6 122.1(4) . . ?
N4 C11 N6 120.4(4) . . ?
C15 C16 C17 108.3(4) . . ?
C12 C13 C14 110.5(4) . . ?
N2 C7 C6 109.0(4) . . ?
N7 C15 C16 110.0(4) . . ?
C1 C2 C3 110.3(4) . . ?
N11 C28 C27 109.6(4) . . ?
N3 C3 C2 111.7(4) . . ?
C21 C20 C19 107.8(4) . . ?
N6 C10 C9 109.3(4) . . ?
N12 C24 C23 110.8(4) . . ?
C26 C27 C28 106.9(4) . . ?
N12 C26 C27 110.6(4) . . ?
N4 C8 C9 114.1(4) . . ?
C25 N12 C24 123.1(4) . . ?
C25 N12 C26 122.6(4) . . ?
C24 N12 C26 113.6(4) . . ?
N5 C14 C13 112.8(4) . . ?
N6 C12 C13 110.6(4) . . ?
C8 C9 C10 110.8(4) . . ?
N3 C5 C6 112.2(4) . . ?
F5 C30 F4 107.5(4) . . ?
F5 C30 F6 108.0(4) . . ?
F4 C30 F6 107.2(4) . . ?
F5 C30 S2 111.5(4) . . ?
F4 C30 S2 111.4(3) . . ?
F6 C30 S2 111.1(3) . . ?
N9 C17 C16 111.4(3) . . ?
N9 C19 C20 110.5(4) . . ?
C22 C23 C24 108.5(4) . . ?
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 N7 2.031(3) . y
Ru1 N4 2.036(4) . y
Ru1 N10 2.046(3) . y
Ru1 N1 2.061(4) . y
Ru1 Ru2 2.2805(5) . y
Ru1 O3 2.382(3) . y
Ru2 N2 2.019(3) . y
Ru2 N11 2.025(4) . y
Ru2 N8 2.053(3) . y
Ru2 N5 2.056(4) . y
Ru2 O6 2.455(3) . y
S2 O5 1.435(3) . ?
S2 O4 1.439(3) . ?
S2 O6 1.457(3) . ?
S2 C30 1.828(5) . ?
S1 O2 1.431(3) . ?
S1 O1 1.440(3) . ?
S1 O3 1.462(3) . ?
S1 C29 1.838(5) . ?
F3 C29 1.326(5) . ?
N4 C11 1.343(6) . ?
N4 C8 1.472(6) . ?
F6 C30 1.341(5) . ?
F2 C29 1.326(5) . ?
F5 C30 1.323(6) . ?
F4 C30 1.341(6) . ?
N8 C18 1.352(5) . ?
N8 C21 1.449(6) . ?
F1 C29 1.338(5) . ?
N7 C18 1.342(6) . ?
N7 C15 1.475(5) . ?
N5 C11 1.341(6) . ?
N5 C14 1.472(5) . ?
N11 C25 1.347(5) . ?
N11 C28 1.468(5) . ?
N10 C25 1.350(5) . ?
N10 C22 1.465(5) . ?
N3 C4 1.364(6) . ?
N3 C3 1.459(6) . ?
N3 C5 1.471(5) . ?
C18 N9 1.363(6) . ?
N2 C4 1.336(6) . ?
N2 C7 1.459(5) . ?
N1 C4 1.349(6) . ?
N1 C1 1.460(5) . ?
N9 C19 1.459(6) . ?
N9 C17 1.464(5) . ?
C21 C20 1.488(7) . ?
C25 N12 1.360(5) . ?
C1 C2 1.485(7) . ?
C22 C23 1.507(6) . ?
N6 C11 1.373(5) . ?
N6 C12 1.455(6) . ?
N6 C10 1.458(6) . ?
C6 C5 1.504(6) . ?
C6 C7 1.520(6) . ?
C16 C15 1.496(6) . ?
C16 C17 1.508(6) . ?
C13 C12 1.498(6) . ?
C13 C14 1.501(6) . ?
C2 C3 1.531(7) . ?
C28 C27 1.530(6) . ?
C20 C19 1.493(6) . ?
C10 C9 1.497(7) . ?
C24 N12 1.459(6) . ?
C24 C23 1.512(6) . ?
C27 C26 1.500(6) . ?
C26 N12 1.462(6) . ?
C8 C9 1.482(7) . ?
