#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:55:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179161 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312244.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_4312244
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                 110.4650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.4770(9)
_cell_length_b                   15.4839(9)
_cell_length_c                   17.0030(10)
_cell_measurement_reflns_used    9778
_cell_measurement_temperature    28(2)
_cell_measurement_theta_max      25.0545
_cell_measurement_theta_min      2.557
_cell_volume                     3817.5(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      27(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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    0.0293
_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            19824
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.991
_exptl_absorpt_correction_T_max  0.8041
_exptl_absorpt_correction_T_min  0.6640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.832
_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         5.823
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         6726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0611
_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)+(0.0920P)²+8.9887P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1453
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                5759
_reflns_number_total             6726
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic048946nsi20040802_060545_9.cif
_cod_data_source_block           cmpd2_at_27K
_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               4312244
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 0.23024(2) 0.57524(2) 0.25029(2) 0.01222(14) Uani 1 1 d . . .
Ru2 Ru 0.27921(2) 0.43517(2) 0.26196(2) 0.01222(14) Uani 1 1 d . . .
S2 S 0.37822(7) 0.20405(7) 0.30309(6) 0.0143(2) Uani 1 1 d . . .
S1 S 0.10678(7) 0.78643(7) 0.19615(6) 0.0145(2) Uani 1 1 d . . .
F3 F 0.24690(17) 0.88011(16) 0.19163(16) 0.0203(6) Uani 1 1 d . . .
N4 N 0.2005(3) 0.5659(2) 0.3576(2) 0.0156(8) Uani 1 1 d . . .
O3 O 0.17463(19) 0.71915(18) 0.23622(17) 0.0141(6) Uani 1 1 d . . .
F6 F 0.24767(18) 0.12134(17) 0.18401(16) 0.0243(6) Uani 1 1 d . . .
F2 F 0.21650(19) 0.89303(16) 0.30600(15) 0.0232(6) Uani 1 1 d . . .
F5 F 0.32895(19) 0.04076(16) 0.28723(17) 0.0249(6) Uani 1 1 d . . .
F4 F 0.22607(18) 0.12618(17) 0.30297(16) 0.0240(6) Uani 1 1 d . . .
N8 N 0.4045(2) 0.4759(2) 0.3442(2) 0.0151(7) Uani 1 1 d . . .
F1 F 0.12820(19) 0.95444(16) 0.19174(17) 0.0241(6) Uani 1 1 d . . .
O6 O 0.32353(19) 0.28223(18) 0.27397(18) 0.0158(6) Uani 1 1 d . . .
O5 O 0.4407(2) 0.1851(2) 0.25957(19) 0.0207(7) Uani 1 1 d . . .
N7 N 0.3585(2) 0.6183(2) 0.3200(2) 0.0150(7) Uani 1 1 d . . .
O2 O 0.0394(2) 0.8008(2) 0.23543(19) 0.0210(7) Uani 1 1 d . . .
N5 N 0.2242(2) 0.4196(2) 0.3552(2) 0.0131(7) Uani 1 1 d . . .
N11 N 0.3265(3) 0.4497(2) 0.1653(2) 0.0167(8) Uani 1 1 d . . .
N10 N 0.2653(2) 0.5871(2) 0.1452(2) 0.0124(7) Uani 1 1 d . . .
N3 N -0.0006(3) 0.4236(2) 0.1051(2) 0.0150(8) Uani 1 1 d . . .
C18 C 0.4258(3) 0.5605(3) 0.3550(3) 0.0143(9) Uani 1 1 d . . .
O1 O 0.0721(2) 0.7843(2) 0.10544(18) 0.0196(7) Uani 1 1 d . . .
N2 N 0.1579(2) 0.3972(2) 0.1756(2) 0.0162(8) Uani 1 1 d . . .
O4 O 0.4134(2) 0.1939(2) 0.39313(18) 0.0200(7) Uani 1 1 d . . .
N1 N 0.0981(2) 0.5313(2) 0.1878(2) 0.0189(8) Uani 1 1 d . . .
N9 N 0.5135(2) 0.5855(2) 0.4018(2) 0.0156(8) Uani 1 1 d . . .
C21 C 0.4798(3) 0.4165(3) 0.3844(3) 0.0219(10) Uani 1 1 d . . .
H21A H 0.4629 0.3578 0.3608 0.026 Uiso 1 1 calc R . .
H21B H 0.4910 0.4139 0.4453 0.026 Uiso 1 1 calc R . .
C25 C 0.3110(3) 0.5241(3) 0.1212(3) 0.0128(8) Uani 1 1 d . . .
C1 C 0.0148(3) 0.5739(3) 0.1901(3) 0.0213(10) Uani 1 1 d . . .
H1B H 0.0292 0.6337 0.2112 0.026 Uiso 1 1 calc R . .
H1C H -0.0102 0.5422 0.2280 0.026 Uiso 1 1 calc R . .
C4 C 0.0851(3) 0.4501(3) 0.1562(3) 0.0154(9) Uani 1 1 d . . .
C22 C 0.2540(3) 0.6685(3) 0.0985(3) 0.0191(9) Uani 1 1 d . . .
H22A H 0.2395 0.7155 0.1313 0.023 Uiso 1 1 calc R . .
H22B H 0.2018 0.6632 0.0446 0.023 Uiso 1 1 calc R . .
C29 C 0.1791(3) 0.8839(3) 0.2234(3) 0.0168(9) Uani 1 1 d . . .
N6 N 0.1556(2) 0.4768(2) 0.4494(2) 0.0161(8) Uani 1 1 d . . .
C6 C 0.0585(3) 0.2736(3) 0.1205(3) 0.0203(9) Uani 1 1 d . . .
H6A H 0.0506 0.2205 0.0863 0.024 Uiso 1 1 calc R . .
H6B H 0.0629 0.2567 0.1780 0.024 Uiso 1 1 calc R . .
C11 C 0.1920(3) 0.4866(3) 0.3870(3) 0.0137(8) Uani 1 1 d . . .
C16 C 0.4521(3) 0.7296(3) 0.4113(3) 0.0200(9) Uani 1 1 d . . .
H16A H 0.4241 0.7158 0.4540 0.024 Uiso 1 1 calc R . .
H16B H 0.4682 0.7917 0.4160 0.024 Uiso 1 1 calc R . .
C13 C 0.1896(3) 0.3235(3) 0.4575(3) 0.0212(10) Uani 1 1 d . . .
H13A H 0.1645 0.2658 0.4628 0.025 Uiso 1 1 calc R . .
H13B H 0.2512 0.3288 0.5018 0.025 Uiso 1 1 calc R . .
C7 C 0.1460(3) 0.3202(3) 0.1235(3) 0.0204(9) Uani 1 1 d . . .
H7A H 0.1998 0.2814 0.1471 0.024 Uiso 1 1 calc R . .
H7B H 0.1418 0.3367 0.0660 0.024 Uiso 1 1 calc R . .
C15 C 0.3849(3) 0.7104(3) 0.3254(3) 0.0191(9) Uani 1 1 d . . .
H15A H 0.3294 0.7470 0.3138 0.023 Uiso 1 1 calc R . .
H15B H 0.4133 0.7237 0.2828 0.023 Uiso 1 1 calc R . .
C2 C -0.0550(3) 0.5747(3) 0.1020(3) 0.0230(11) Uani 1 1 d . . .
H2B H -0.0290 0.6050 0.0640 0.028 Uiso 1 1 calc R . .
H2C H -0.1111 0.6059 0.1011 0.028 Uiso 1 1 calc R . .
C28 C 0.3766(3) 0.3824(3) 0.1382(3) 0.0209(9) Uani 1 1 d . . .
H28A H 0.3667 0.3258 0.1608 0.025 Uiso 1 1 calc R . .
H28B H 0.4435 0.3952 0.1604 0.025 Uiso 1 1 calc R . .
C3 C -0.0795(3) 0.4815(3) 0.0721(3) 0.0179(9) Uani 1 1 d . . .
H3A H -0.1301 0.4609 0.0904 0.022 Uiso 1 1 calc R . .
H3B H -0.1019 0.4800 0.0100 0.022 Uiso 1 1 calc R . .
C20 C 0.5661(3) 0.4455(3) 0.3706(3) 0.0216(10) Uani 1 1 d . . .
H20A H 0.6156 0.4022 0.3931 0.026 Uiso 1 1 calc R . .
H20B H 0.5543 0.4530 0.3099 0.026 Uiso 1 1 calc R . .
C10 C 0.1104(3) 0.5510(3) 0.4716(3) 0.0189(9) Uani 1 1 d . . .
H10A H 0.1007 0.5398 0.5252 0.023 Uiso 1 1 calc R . .
H10B H 0.0495 0.5608 0.4274 0.023 Uiso 1 1 calc R . .
C24 C 0.3587(3) 0.6204(3) 0.0267(3) 0.0172(9) Uani 1 1 d . . .
H24A H 0.3188 0.6296 -0.0325 0.021 Uiso 1 1 calc R . .
H24B H 0.4238 0.6230 0.0300 0.021 Uiso 1 1 calc R . .
C27 C 0.3425(3) 0.3787(3) 0.0422(3) 0.0202(10) Uani 1 1 d . . .
H27A H 0.3726 0.3305 0.0234 0.024 Uiso 1 1 calc R . .
H27B H 0.2749 0.3695 0.0194 0.024 Uiso 1 1 calc R . .
C26 C 0.3667(3) 0.4634(3) 0.0123(3) 0.0201(9) Uani 1 1 d . . .
H26A H 0.4339 0.4658 0.0240 0.024 Uiso 1 1 calc R . .
H26B H 0.3347 0.4685 -0.0491 0.024 Uiso 1 1 calc R . .
C8 C 0.1840(3) 0.6455(3) 0.3978(3) 0.0204(9) Uani 1 1 d . . .
H8A H 0.1287 0.6748 0.3590 0.024 Uiso 1 1 calc R . .
H8B H 0.2372 0.6848 0.4077 0.024 Uiso 1 1 calc R . .
N12 N 0.3395(3) 0.5352(2) 0.0547(2) 0.0160(8) Uani 1 1 d . . .
C14 C 0.1987(3) 0.3315(3) 0.3724(3) 0.0220(10) Uani 1 1 d . . .
H14A H 0.2462 0.2904 0.3688 0.026 Uiso 1 1 calc R . .
H14B H 0.1394 0.3154 0.3287 0.026 Uiso 1 1 calc R . .
C12 C 0.1270(3) 0.3921(3) 0.4693(3) 0.0185(9) Uani 1 1 d . . .
H12A H 0.0628 0.3803 0.4323 0.022 Uiso 1 1 calc R . .
H12B H 0.1291 0.3916 0.5282 0.022 Uiso 1 1 calc R . .
C9 C 0.1703(3) 0.6291(3) 0.4799(3) 0.0193(9) Uani 1 1 d . . .
H9A H 0.2307 0.6195 0.5249 0.023 Uiso 1 1 calc R . .
H9B H 0.1408 0.6799 0.4953 0.023 Uiso 1 1 calc R . .
C5 C -0.0234(3) 0.3325(3) 0.0826(3) 0.0162(9) Uani 1 1 d . . .
H5B H -0.0459 0.3266 0.0208 0.019 Uiso 1 1 calc R . .
H5C H -0.0737 0.3145 0.1023 0.019 Uiso 1 1 calc R . .
C30 C 0.2915(3) 0.1181(3) 0.2677(3) 0.0197(9) Uani 1 1 d . . .
C17 C 0.5376(3) 0.6758(3) 0.4262(3) 0.0162(9) Uani 1 1 d . . .
H17A H 0.5736 0.6996 0.3932 0.019 Uiso 1 1 calc R . .
H17B H 0.5766 0.6784 0.4863 0.019 Uiso 1 1 calc R . .
C19 C 0.5940(3) 0.5298(3) 0.4157(3) 0.0207(10) Uani 1 1 d . . .
H19A H 0.6244 0.5190 0.4766 0.025 Uiso 1 1 calc R . .
H19B H 0.6389 0.5593 0.3953 0.025 Uiso 1 1 calc R . .
C23 C 0.3409(3) 0.6909(3) 0.0812(3) 0.0181(9) Uani 1 1 d . . .
H23A H 0.3937 0.6953 0.1347 0.022 Uiso 1 1 calc R . .
H23B H 0.3333 0.7472 0.0520 0.022 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 88.96(14) . . ?
N7 Ru1 N10 88.65(14) . . ?
N4 Ru1 N10 177.59(14) . . ?
N7 Ru1 N1 175.77(14) . . ?
N4 Ru1 N1 86.82(15) . . ?
N10 Ru1 N1 95.57(14) . . ?
N7 Ru1 Ru2 91.97(10) . . ?
N4 Ru1 Ru2 91.54(10) . . ?
N10 Ru1 Ru2 88.83(10) . . ?
N1 Ru1 Ru2 88.32(10) . . ?
N7 Ru1 O3 89.79(12) . . ?
N4 Ru1 O3 88.24(12) . . ?
N10 Ru1 O3 91.46(12) . . ?
N1 Ru1 O3 89.91(12) . . ?
Ru2 Ru1 O3 178.23(7) . . y
N2 Ru2 N11 87.16(15) . . ?
N2 Ru2 N8 176.85(14) . . ?
N11 Ru2 N8 89.76(15) . . ?
N2 Ru2 N5 89.75(14) . . ?
N11 Ru2 N5 176.86(14) . . ?
N8 Ru2 N5 93.32(14) . . ?
N2 Ru2 Ru1 90.98(10) . . ?
N11 Ru2 Ru1 91.54(10) . . ?
N8 Ru2 Ru1 88.48(10) . . ?
N5 Ru2 Ru1 87.93(10) . . ?
N2 Ru2 O6 86.66(12) . . ?
N11 Ru2 O6 90.29(12) . . ?
N8 Ru2 O6 93.99(12) . . ?
N5 Ru2 O6 90.10(12) . . ?
Ru1 Ru2 O6 176.94(7) . . y
O5 S2 O4 116.83(19) . . ?
O5 S2 O6 114.13(18) . . ?
O4 S2 O6 114.14(18) . . ?
O5 S2 C30 103.25(19) . . ?
O4 S2 C30 103.32(19) . . ?
O6 S2 C30 102.65(19) . . ?
O2 S1 O1 116.10(18) . . ?
O2 S1 O3 114.31(18) . . ?
O1 S1 O3 114.70(17) . . ?
O2 S1 C29 103.41(19) . . ?
O1 S1 C29 104.70(19) . . ?
O3 S1 C29 101.06(18) . . ?
C11 N4 C8 122.3(4) . . ?
C11 N4 Ru1 118.6(3) . . ?
C8 N4 Ru1 119.1(3) . . ?
S1 O3 Ru1 152.89(18) . . ?
C18 N8 C21 115.7(4) . . ?
C18 N8 Ru2 121.2(3) . . ?
C21 N8 Ru2 122.5(3) . . ?
S2 O6 Ru2 160.02(18) . . ?
C18 N7 C15 117.4(4) . . ?
C18 N7 Ru1 119.1(3) . . ?
C15 N7 Ru1 123.0(3) . . ?
C11 N5 C14 118.1(3) . . ?
C11 N5 Ru2 122.0(3) . . ?
C14 N5 Ru2 118.1(3) . . ?
C25 N11 C28 116.4(4) . . ?
C25 N11 Ru2 119.9(3) . . ?
C28 N11 Ru2 123.7(3) . . ?
C25 N10 C22 115.7(3) . . ?
C25 N10 Ru1 121.7(3) . . ?
C22 N10 Ru1 122.1(3) . . ?
C4 N3 C3 123.7(4) . . ?
C4 N3 C5 122.9(4) . . ?
C3 N3 C5 113.3(3) . . ?
N7 C18 N8 118.2(4) . . ?
N7 C18 N9 121.8(4) . . ?
N8 C18 N9 120.0(4) . . ?
C4 N2 C7 115.7(4) . . ?
C4 N2 Ru2 119.3(3) . . ?
C7 N2 Ru2 124.5(3) . . ?
C4 N1 C1 114.8(4) . . ?
C4 N1 Ru1 119.6(3) . . ?
C1 N1 Ru1 124.2(3) . . ?
C18 N9 C19 122.8(4) . . ?
C18 N9 C17 122.4(4) . . ?
C19 N9 C17 113.4(3) . . ?
N8 C21 C20 110.3(4) . . ?
N11 C25 N10 117.4(4) . . ?
N11 C25 N12 121.5(4) . . ?
N10 C25 N12 121.1(4) . . ?
N1 C1 C2 108.0(4) . . ?
N2 C4 N1 118.4(4) . . ?
N2 C4 N3 121.2(4) . . ?
N1 C4 N3 120.4(4) . . ?
N10 C22 C23 110.9(3) . . ?
F2 C29 F3 108.6(3) . . ?
F2 C29 F1 108.4(3) . . ?
F3 C29 F1 107.8(3) . . ?
F2 C29 S1 110.9(3) . . ?
F3 C29 S1 110.9(3) . . ?
F1 C29 S1 110.3(3) . . ?
C11 N6 C10 118.4(4) . . ?
C11 N6 C12 121.2(4) . . ?
C10 N6 C12 115.7(3) . . ?
C5 C6 C7 109.4(4) . . ?
N5 C11 N4 117.1(4) . . ?
N5 C11 N6 122.4(4) . . ?
N4 C11 N6 120.4(4) . . ?
C15 C16 C17 108.8(4) . . ?
C12 C13 C14 110.6(4) . . ?
N2 C7 C6 109.2(4) . . ?
N7 C15 C16 109.6(4) . . ?
C1 C2 C3 109.2(4) . . ?
N11 C28 C27 109.8(4) . . ?
N3 C3 C2 111.9(4) . . ?
C19 C20 C21 107.1(4) . . ?
N6 C10 C9 108.8(3) . . ?
N12 C24 C23 110.4(4) . . ?
C26 C27 C28 107.1(4) . . ?
N12 C26 C27 110.4(4) . . ?
N4 C8 C9 113.1(4) . . ?
C25 N12 C26 123.0(4) . . ?
C25 N12 C24 123.0(4) . . ?
C26 N12 C24 113.4(3) . . ?
N5 C14 C13 112.8(4) . . ?
N6 C12 C13 110.1(4) . . ?
C10 C9 C8 109.3(4) . . ?
N3 C5 C6 112.3(3) . . ?
F5 C30 F6 108.3(3) . . ?
F5 C30 F4 107.6(3) . . ?
F6 C30 F4 106.7(4) . . ?
F5 C30 S2 111.6(3) . . ?
F6 C30 S2 111.1(3) . . ?
F4 C30 S2 111.3(3) . . ?
N9 C17 C16 110.9(3) . . ?
N9 C19 C20 110.7(4) . . ?
C22 C23 C24 108.4(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 2.036(3) . y
Ru1 N4 2.037(4) . y
Ru1 N10 2.050(4) . y
Ru1 N1 2.063(4) . y
Ru1 Ru2 2.2831(5) . y
Ru1 O3 2.371(3) . y
Ru2 N2 2.024(3) . y
Ru2 N11 2.032(4) . y
Ru2 N8 2.054(3) . y
Ru2 N5 2.060(4) . y
Ru2 O6 2.454(3) . y
S2 O5 1.438(3) . ?
S2 O4 1.443(3) . ?
S2 O6 1.461(3) . ?
S2 C30 1.836(5) . ?
S1 O2 1.439(3) . ?
S1 O1 1.445(3) . ?
S1 O3 1.467(3) . ?
S1 C29 1.839(4) . ?
F3 C29 1.339(5) . ?
N4 C11 1.349(5) . ?
N4 C8 1.473(5) . ?
F6 C30 1.346(5) . ?
F2 C29 1.326(5) . ?
F5 C30 1.321(5) . ?
F4 C30 1.351(5) . ?
N8 C18 1.349(6) . ?
N8 C21 1.453(5) . ?
F1 C29 1.344(5) . ?
N7 C18 1.344(6) . ?
N7 C15 1.477(5) . ?
N5 C11 1.344(6) . ?
N5 C14 1.477(5) . ?
N11 C25 1.348(5) . ?
N11 C28 1.465(5) . ?
N10 C25 1.348(6) . ?
N10 C22 1.467(5) . ?
N3 C4 1.370(6) . ?
N3 C3 1.460(5) . ?
N3 C5 1.471(5) . ?
C18 N9 1.368(6) . ?
N2 C4 1.338(6) . ?
N2 C7 1.460(5) . ?
N1 C4 1.354(6) . ?
N1 C1 1.460(5) . ?
N9 C19 1.466(6) . ?
N9 C17 1.468(6) . ?
C21 C20 1.504(6) . ?
C25 N12 1.362(5) . ?
C1 C2 1.510(6) . ?
C22 C23 1.514(6) . ?
N6 C11 1.372(5) . ?
N6 C10 1.461(6) . ?
N6 C12 1.461(6) . ?
C6 C5 1.510(6) . ?
C6 C7 1.521(6) . ?
C16 C15 1.497(6) . ?
C16 C17 1.509(6) . ?
C13 C12 1.498(6) . ?
C13 C14 1.507(6) . ?
C2 C3 1.534(6) . ?
C28 C27 1.532(6) . ?
C20 C19 1.499(6) . ?
C10 C9 1.500(6) . ?
C24 N12 1.468(5) . ?
C24 C23 1.518(6) . ?
C27 C26 1.500(6) . ?
C26 N12 1.464(5) . ?
C8 C9 1.506(6) . ?
