#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:55:03 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179161 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312243.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_4312243
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                 110.4390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4798(12)
_cell_length_b                   15.4824(12)
_cell_length_c                   17.0111(13)
_cell_measurement_reflns_used    5246
_cell_measurement_temperature    50(2)
_cell_measurement_theta_max      25.500
_cell_measurement_theta_min      2.631
_cell_volume                     3820.3(5)
_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      50(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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0304
_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            20657
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.990
_exptl_absorpt_correction_T_max  0.8042
_exptl_absorpt_correction_T_min  0.6642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.831
_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         6.207
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.170
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7081
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0916P)²+7.5511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1459
_refine_ls_wR_factor_ref         0.1549
_reflns_number_gt                6035
_reflns_number_total             7081
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic048946nsi20040802_060545_8.cif
_cod_data_source_block           cmpd2_at_50K
_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               4312243
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 0.23023(2) 0.57512(2) 0.25025(2) 0.01319(14) Uani 1 1 d . . .
Ru2 Ru 0.27921(2) 0.43509(2) 0.26178(2) 0.01327(14) Uani 1 1 d . . .
S2 S 0.37841(7) 0.20413(6) 0.30316(6) 0.0161(2) Uani 1 1 d . . .
S1 S 0.10677(7) 0.78637(7) 0.19632(6) 0.0161(2) Uani 1 1 d . . .
F3 F 0.24654(17) 0.88025(16) 0.19153(16) 0.0240(6) Uani 1 1 d . . .
N4 N 0.2009(2) 0.5655(2) 0.3577(2) 0.0164(8) Uani 1 1 d . . .
O3 O 0.17449(19) 0.71926(18) 0.23614(17) 0.0154(6) Uani 1 1 d . . .
F6 F 0.24863(19) 0.12088(17) 0.18440(16) 0.0290(6) Uani 1 1 d . . .
F2 F 0.21635(19) 0.89275(16) 0.30599(16) 0.0276(6) Uani 1 1 d . . .
F5 F 0.3299(2) 0.04080(16) 0.28768(17) 0.0297(6) Uani 1 1 d . . .
F4 F 0.22666(19) 0.12581(17) 0.30301(17) 0.0301(6) Uani 1 1 d . . .
N8 N 0.4044(2) 0.4759(2) 0.3439(2) 0.0169(7) Uani 1 1 d . . .
F1 F 0.12808(19) 0.95424(16) 0.19185(17) 0.0288(6) Uani 1 1 d . . .
O6 O 0.32367(19) 0.28214(18) 0.27379(18) 0.0177(6) Uani 1 1 d . . .
O5 O 0.4410(2) 0.18555(19) 0.25993(19) 0.0235(7) Uani 1 1 d . . .
N7 N 0.3584(2) 0.6183(2) 0.3197(2) 0.0159(7) Uani 1 1 d . . .
O2 O 0.0396(2) 0.8007(2) 0.23561(19) 0.0243(7) Uani 1 1 d . . .
N5 N 0.2239(2) 0.4193(2) 0.3549(2) 0.0145(7) Uani 1 1 d . . .
N11 N 0.3262(2) 0.4497(2) 0.1652(2) 0.0181(7) Uani 1 1 d . . .
N10 N 0.2652(2) 0.5868(2) 0.1451(2) 0.0123(7) Uani 1 1 d . . .
N3 N 0.0000(2) 0.4236(2) 0.1054(2) 0.0157(7) Uani 1 1 d . . .
C18 C 0.4257(3) 0.5605(3) 0.3550(3) 0.0153(9) Uani 1 1 d . . .
O1 O 0.0720(2) 0.7844(2) 0.10557(18) 0.0218(6) Uani 1 1 d . . .
N2 N 0.1579(2) 0.3975(2) 0.1755(2) 0.0169(7) Uani 1 1 d . . .
O4 O 0.4136(2) 0.1943(2) 0.39321(18) 0.0228(7) Uani 1 1 d . . .
N1 N 0.0983(2) 0.5310(2) 0.1878(2) 0.0196(8) Uani 1 1 d . . .
N9 N 0.5130(2) 0.5852(2) 0.4020(2) 0.0171(7) Uani 1 1 d . . .
C21 C 0.4796(3) 0.4164(3) 0.3837(3) 0.0261(10) Uani 1 1 d . . .
H21A H 0.4627 0.3580 0.3597 0.031 Uiso 1 1 calc R . .
H21B H 0.4905 0.4133 0.4446 0.031 Uiso 1 1 calc R . .
C25 C 0.3109(3) 0.5241(3) 0.1214(2) 0.0140(8) Uani 1 1 d . . .
C1 C 0.0154(3) 0.5736(3) 0.1902(3) 0.0227(10) Uani 1 1 d . . .
H1B H 0.0300 0.6333 0.2115 0.027 Uiso 1 1 calc R . .
H1C H -0.0096 0.5419 0.2281 0.027 Uiso 1 1 calc R . .
C4 C 0.0852(3) 0.4502(3) 0.1560(3) 0.0170(8) Uani 1 1 d . . .
C22 C 0.2540(3) 0.6685(3) 0.0986(3) 0.0215(9) Uani 1 1 d . . .
H22A H 0.2397 0.7154 0.1317 0.026 Uiso 1 1 calc R . .
H22B H 0.2017 0.6635 0.0449 0.026 Uiso 1 1 calc R . .
C29 C 0.1793(3) 0.8836(3) 0.2233(3) 0.0199(9) Uani 1 1 d . . .
N6 N 0.1555(2) 0.4764(2) 0.4490(2) 0.0178(7) Uani 1 1 d . . .
C6 C 0.0588(3) 0.2737(3) 0.1206(3) 0.0225(9) Uani 1 1 d . . .
H6A H 0.0507 0.2204 0.0866 0.027 Uiso 1 1 calc R . .
H6B H 0.0634 0.2570 0.1782 0.027 Uiso 1 1 calc R . .
C11 C 0.1921(2) 0.4866(3) 0.3867(2) 0.0155(8) Uani 1 1 d . . .
C16 C 0.4517(3) 0.7296(3) 0.4114(3) 0.0214(9) Uani 1 1 d . . .
H16A H 0.4239 0.7157 0.4542 0.026 Uiso 1 1 calc R . .
H16B H 0.4678 0.7918 0.4161 0.026 Uiso 1 1 calc R . .
C13 C 0.1900(3) 0.3231(3) 0.4569(3) 0.0216(9) Uani 1 1 d . . .
H13A H 0.1649 0.2655 0.4622 0.026 Uiso 1 1 calc R . .
H13B H 0.2517 0.3283 0.5009 0.026 Uiso 1 1 calc R . .
C7 C 0.1466(3) 0.3203(3) 0.1232(3) 0.0225(9) Uani 1 1 d . . .
H7A H 0.2004 0.2817 0.1469 0.027 Uiso 1 1 calc R . .
H7B H 0.1422 0.3368 0.0657 0.027 Uiso 1 1 calc R . .
C15 C 0.3847(3) 0.7101(3) 0.3253(3) 0.0209(9) Uani 1 1 d . . .
H15A H 0.3291 0.7466 0.3137 0.025 Uiso 1 1 calc R . .
H15B H 0.4131 0.7235 0.2829 0.025 Uiso 1 1 calc R . .
C2 C -0.0547(3) 0.5747(3) 0.1020(3) 0.0234(10) Uani 1 1 d . . .
H2B H -0.0288 0.6050 0.0639 0.028 Uiso 1 1 calc R . .
H2C H -0.1108 0.6059 0.1012 0.028 Uiso 1 1 calc R . .
C28 C 0.3767(3) 0.3825(3) 0.1382(3) 0.0232(9) Uani 1 1 d . . .
H28A H 0.3671 0.3259 0.1608 0.028 Uiso 1 1 calc R . .
H28B H 0.4435 0.3955 0.1602 0.028 Uiso 1 1 calc R . .
C3 C -0.0792(3) 0.4815(3) 0.0722(3) 0.0205(9) Uani 1 1 d . . .
H3A H -0.1298 0.4610 0.0905 0.025 Uiso 1 1 calc R . .
H3B H -0.1016 0.4800 0.0101 0.025 Uiso 1 1 calc R . .
C20 C 0.5660(3) 0.4457(3) 0.3706(3) 0.0251(10) Uani 1 1 d . . .
H20A H 0.6154 0.4022 0.3931 0.030 Uiso 1 1 calc R . .
H20B H 0.5545 0.4534 0.3100 0.030 Uiso 1 1 calc R . .
C10 C 0.1104(3) 0.5505(3) 0.4714(3) 0.0220(9) Uani 1 1 d . . .
H10A H 0.1009 0.5392 0.5251 0.026 Uiso 1 1 calc R . .
H10B H 0.0495 0.5605 0.4274 0.026 Uiso 1 1 calc R . .
C24 C 0.3586(3) 0.6206(3) 0.0267(3) 0.0193(9) Uani 1 1 d . . .
H24A H 0.3188 0.6298 -0.0325 0.023 Uiso 1 1 calc R . .
H24B H 0.4237 0.6233 0.0301 0.023 Uiso 1 1 calc R . .
C27 C 0.3426(3) 0.3787(3) 0.0423(3) 0.0220(9) Uani 1 1 d . . .
H27A H 0.3727 0.3305 0.0235 0.026 Uiso 1 1 calc R . .
H27B H 0.2751 0.3697 0.0195 0.026 Uiso 1 1 calc R . .
C26 C 0.3673(3) 0.4637(3) 0.0127(3) 0.0232(9) Uani 1 1 d . . .
H26A H 0.4346 0.4662 0.0250 0.028 Uiso 1 1 calc R . .
H26B H 0.3359 0.4688 -0.0487 0.028 Uiso 1 1 calc R . .
C8 C 0.1841(3) 0.6450(3) 0.3977(3) 0.0227(9) Uani 1 1 d . . .
H8A H 0.1286 0.6742 0.3589 0.027 Uiso 1 1 calc R . .
H8B H 0.2371 0.6846 0.4075 0.027 Uiso 1 1 calc R . .
N12 N 0.3394(2) 0.5354(2) 0.0548(2) 0.0172(7) Uani 1 1 d . . .
C14 C 0.1986(3) 0.3314(3) 0.3718(3) 0.0229(9) Uani 1 1 d . . .
H14A H 0.2460 0.2904 0.3679 0.028 Uiso 1 1 calc R . .
H14B H 0.1392 0.3154 0.3283 0.028 Uiso 1 1 calc R . .
C12 C 0.1276(3) 0.3918(3) 0.4697(3) 0.0201(9) Uani 1 1 d . . .
H12A H 0.0632 0.3798 0.4335 0.024 Uiso 1 1 calc R . .
H12B H 0.1308 0.3914 0.5288 0.024 Uiso 1 1 calc R . .
C9 C 0.1703(3) 0.6285(3) 0.4798(3) 0.0209(9) Uani 1 1 d . . .
H9A H 0.2307 0.6190 0.5247 0.025 Uiso 1 1 calc R . .
H9B H 0.1409 0.6794 0.4953 0.025 Uiso 1 1 calc R . .
C5 C -0.0228(3) 0.3325(3) 0.0829(3) 0.0172(8) Uani 1 1 d . . .
H5B H -0.0452 0.3267 0.0211 0.021 Uiso 1 1 calc R . .
H5C H -0.0732 0.3145 0.1025 0.021 Uiso 1 1 calc R . .
C30 C 0.2917(3) 0.1179(3) 0.2679(3) 0.0233(9) Uani 1 1 d . . .
C17 C 0.5370(3) 0.6757(3) 0.4257(3) 0.0177(8) Uani 1 1 d . . .
H17A H 0.5724 0.6994 0.3921 0.021 Uiso 1 1 calc R . .
H17B H 0.5766 0.6787 0.4856 0.021 Uiso 1 1 calc R . .
C19 C 0.5938(3) 0.5296(3) 0.4160(3) 0.0235(10) Uani 1 1 d . . .
H19A H 0.6240 0.5186 0.4768 0.028 Uiso 1 1 calc R . .
H19B H 0.6388 0.5593 0.3958 0.028 Uiso 1 1 calc R . .
C23 C 0.3404(3) 0.6910(3) 0.0812(3) 0.0204(9) Uani 1 1 d . . .
H23A H 0.3932 0.6957 0.1345 0.024 Uiso 1 1 calc R . .
H23B H 0.3325 0.7473 0.0519 0.024 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 88.91(14) . . ?
N7 Ru1 N10 88.66(13) . . ?
N4 Ru1 N10 177.57(13) . . ?
N7 Ru1 N1 175.85(14) . . ?
N4 Ru1 N1 86.95(15) . . ?
N10 Ru1 N1 95.48(14) . . ?
N7 Ru1 Ru2 91.99(9) . . ?
N4 Ru1 Ru2 91.43(9) . . ?
N10 Ru1 Ru2 88.74(10) . . ?
N1 Ru1 Ru2 88.22(9) . . ?
N7 Ru1 O3 89.79(11) . . ?
N4 Ru1 O3 88.41(11) . . ?
N10 Ru1 O3 91.49(11) . . ?
N1 Ru1 O3 89.99(11) . . ?
Ru2 Ru1 O3 178.21(7) . . y
N2 Ru2 N11 87.09(14) . . ?
N2 Ru2 N8 176.77(14) . . ?
N11 Ru2 N8 89.78(14) . . ?
N2 Ru2 N5 89.67(14) . . ?
N11 Ru2 N5 176.70(13) . . ?
N8 Ru2 N5 93.45(14) . . ?
N2 Ru2 Ru1 90.84(10) . . ?
N11 Ru2 Ru1 91.52(10) . . ?
N8 Ru2 Ru1 88.42(9) . . ?
N5 Ru2 Ru1 87.93(9) . . ?
N2 Ru2 O6 86.85(12) . . ?
N11 Ru2 O6 90.34(12) . . ?
N8 Ru2 O6 94.00(11) . . ?
N5 Ru2 O6 90.08(11) . . ?
Ru1 Ru2 O6 176.96(7) . . y
O5 S2 O4 116.80(18) . . ?
O5 S2 O6 113.93(18) . . ?
O4 S2 O6 114.15(18) . . ?
O5 S2 C30 103.53(19) . . ?
O4 S2 C30 103.39(19) . . ?
O6 S2 C30 102.61(19) . . ?
O2 S1 O1 116.07(18) . . ?
O2 S1 O3 114.35(17) . . ?
O1 S1 O3 114.73(17) . . ?
O2 S1 C29 103.63(18) . . ?
O1 S1 C29 104.54(18) . . ?
O3 S1 C29 100.95(18) . . ?
C11 N4 C8 122.3(4) . . ?
C11 N4 Ru1 118.6(3) . . ?
C8 N4 Ru1 118.9(3) . . ?
S1 O3 Ru1 152.93(17) . . ?
C18 N8 C21 115.7(4) . . ?
C18 N8 Ru2 121.4(3) . . ?
C21 N8 Ru2 122.3(3) . . ?
S2 O6 Ru2 159.91(18) . . ?
C18 N7 C15 117.4(3) . . ?
C18 N7 Ru1 119.1(3) . . ?
C15 N7 Ru1 123.1(3) . . ?
C11 N5 C14 118.5(3) . . ?
C11 N5 Ru2 121.8(3) . . ?
C14 N5 Ru2 118.1(3) . . ?
C25 N11 C28 116.3(3) . . ?
C25 N11 Ru2 120.0(3) . . ?
C28 N11 Ru2 123.7(3) . . ?
C25 N10 C22 115.8(3) . . ?
C25 N10 Ru1 121.7(3) . . ?
C22 N10 Ru1 121.9(3) . . ?
C4 N3 C3 123.6(3) . . ?
C4 N3 C5 123.0(3) . . ?
C3 N3 C5 113.2(3) . . ?
N7 C18 N8 118.0(4) . . ?
N7 C18 N9 122.0(4) . . ?
N8 C18 N9 120.0(4) . . ?
C4 N2 C7 115.9(3) . . ?
C4 N2 Ru2 119.5(3) . . ?
C7 N2 Ru2 124.0(3) . . ?
C4 N1 C1 114.9(3) . . ?
C4 N1 Ru1 119.8(3) . . ?
C1 N1 Ru1 124.0(3) . . ?
C18 N9 C19 123.0(4) . . ?
C18 N9 C17 122.2(3) . . ?
C19 N9 C17 113.3(3) . . ?
N8 C21 C20 110.4(4) . . ?
N11 C25 N10 117.4(4) . . ?
N11 C25 N12 121.6(4) . . ?
N10 C25 N12 120.9(4) . . ?
N1 C1 C2 108.1(4) . . ?
N2 C4 N1 118.2(4) . . ?
N2 C4 N3 121.2(4) . . ?
N1 C4 N3 120.7(4) . . ?
N10 C22 C23 111.1(3) . . ?
F2 C29 F3 108.9(4) . . ?
F2 C29 F1 108.1(3) . . ?
F3 C29 F1 107.8(3) . . ?
F2 C29 S1 110.6(3) . . ?
F3 C29 S1 111.3(3) . . ?
F1 C29 S1 110.1(3) . . ?
C11 N6 C12 121.7(3) . . ?
C11 N6 C10 118.3(4) . . ?
C12 N6 C10 115.7(3) . . ?
C5 C6 C7 109.4(3) . . ?
N4 C11 N5 117.3(4) . . ?
N4 C11 N6 120.6(4) . . ?
N5 C11 N6 122.0(4) . . ?
C15 C16 C17 108.3(3) . . ?
C12 C13 C14 110.8(4) . . ?
N2 C7 C6 108.7(3) . . ?
N7 C15 C16 109.8(3) . . ?
C1 C2 C3 109.0(4) . . ?
N11 C28 C27 109.8(3) . . ?
N3 C3 C2 111.8(3) . . ?
C19 C20 C21 107.3(4) . . ?
N6 C10 C9 108.8(3) . . ?
N12 C24 C23 110.2(3) . . ?
C26 C27 C28 106.8(4) . . ?
N12 C26 C27 110.3(3) . . ?
N4 C8 C9 113.0(4) . . ?
C25 N12 C26 123.0(3) . . ?
C25 N12 C24 123.1(3) . . ?
C26 N12 C24 113.3(3) . . ?
N5 C14 C13 112.7(4) . . ?
N6 C12 C13 110.0(3) . . ?
C10 C9 C8 109.3(4) . . ?
N3 C5 C6 112.3(3) . . ?
F5 C30 F6 108.2(3) . . ?
F5 C30 F4 107.9(3) . . ?
F6 C30 F4 107.2(4) . . ?
F5 C30 S2 111.2(3) . . ?
F6 C30 S2 110.9(3) . . ?
F4 C30 S2 111.4(3) . . ?
N9 C17 C16 111.1(3) . . ?
N9 C19 C20 110.5(3) . . ?
C22 C23 C24 108.7(3) . . ?
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 2.035(3) . y
Ru1 N4 2.038(4) . y
Ru1 N10 2.050(3) . y
Ru1 N1 2.063(3) . y
Ru1 Ru2 2.2824(5) . y
Ru1 O3 2.374(3) . y
Ru2 N2 2.024(3) . y
Ru2 N11 2.028(3) . y
Ru2 N8 2.054(3) . y
Ru2 N5 2.061(3) . y
Ru2 O6 2.454(3) . y
S2 O5 1.435(3) . ?
S2 O4 1.444(3) . ?
S2 O6 1.460(3) . ?
S2 C30 1.839(5) . ?
S1 O2 1.436(3) . ?
S1 O1 1.447(3) . ?
S1 O3 1.463(3) . ?
S1 C29 1.837(5) . ?
F3 C29 1.331(5) . ?
N4 C11 1.342(5) . ?
N4 C8 1.473(5) . ?
F6 C30 1.343(5) . ?
F2 C29 1.329(5) . ?
F5 C30 1.323(5) . ?
F4 C30 1.343(5) . ?
N8 C18 1.347(5) . ?
N8 C21 1.452(5) . ?
F1 C29 1.347(5) . ?
N7 C18 1.346(5) . ?
N7 C15 1.473(5) . ?
N5 C11 1.344(5) . ?
N5 C14 1.472(5) . ?
N11 C25 1.347(5) . ?
N11 C28 1.469(5) . ?
N10 C25 1.344(5) . ?
N10 C22 1.469(5) . ?
N3 C4 1.363(6) . ?
N3 C3 1.464(5) . ?
N3 C5 1.471(5) . ?
C18 N9 1.362(5) . ?
N2 C4 1.336(5) . ?
N2 C7 1.463(5) . ?
N1 C4 1.348(6) . ?
N1 C1 1.456(5) . ?
N9 C19 1.467(5) . ?
N9 C17 1.470(5) . ?
C21 C20 1.501(6) . ?
C25 N12 1.363(5) . ?
C1 C2 1.515(6) . ?
C22 C23 1.508(6) . ?
N6 C11 1.373(5) . ?
N6 C12 1.460(5) . ?
N6 C10 1.461(5) . ?
C6 C5 1.507(6) . ?
C6 C7 1.526(6) . ?
C16 C15 1.500(6) . ?
C16 C17 1.508(6) . ?
C13 C12 1.502(6) . ?
C13 C14 1.505(6) . ?
C2 C3 1.532(6) . ?
C28 C27 1.530(6) . ?
C20 C19 1.496(6) . ?
C10 C9 1.499(6) . ?
C24 N12 1.468(5) . ?
C24 C23 1.519(6) . ?
C27 C26 1.505(6) . ?
C26 N12 1.465(5) . ?
C8 C9 1.507(6) . ?
