##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
'tri(2-sulfidopyridine N-oxide-O,S)-Cobalt(III)'
;
_chemical_name_common     ?
_chemical_formula_moiety     '[Co(C5 H4 N S O)3]'
_chemical_formula_sum     'C15 H12 Co N3 O3 S3'
_chemical_formula_weight     437.39
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
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'
_cell_length_a     9.480(2)
_cell_length_b     26.303(5)
_cell_length_c     14.437(4)
_cell_angle_alpha     90.00
_cell_angle_beta     102.90(2)
_cell_angle_gamma     90.00
_cell_volume     3509.0(14)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     28
_cell_measurement_theta_min     2.74
_cell_measurement_theta_max     13.71
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     black
_exptl_crystal_size_max     0.50
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.656
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1776
_exptl_absorpt_coefficient_mu     1.355
_exptl_absorpt_correction_type     empirical
_exptl_absorpt_process_details     '(North et al., 1968)'
_exptl_absorpt_correction_T_min     0.8001
_exptl_absorpt_correction_T_max     0.9903
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'normal-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Siemens P4'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7223
_diffrn_reflns_av_R_equivalents     0.0283
_diffrn_reflns_av_sigmaI/netI     0.1026
_diffrn_reflns_theta_min     1.55
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -1
_diffrn_reflns_limit_k_max     31
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     3
_diffrn_standards_interval_count     97
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     1.88
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     6188
_reflns_number_gt     3363
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0920
_refine_ls_R_factor_gt     0.0398
_refine_ls_wR_factor_gt     0.0519
_refine_ls_wR_factor_ref     0.0593
_refine_ls_goodness_of_fit_ref     0.801
_refine_ls_restrained_S_all     0.801
_refine_ls_number_reflns     6188
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0130P)²+0.0000P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.292
_refine_diff_density_min     -0.269
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Co' 'Co' 0.3494 0.9721
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'XSCANS (Siemens, 1996)'
_computing_cell_refinement     'XSCANS'
_computing_data_reduction     'XSCANS'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1990)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Siemens, 1994)'
_computing_publication_material     'SHELXTL'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Co1 0.61927(6) 0.564809(19) 0.79993(4) 0.03953(16) Uani d . 1 . . Co
    Co2 0.17803(6) 0.686194(19) 0.30228(4) 0.03941(16) Uani d . 1 . . Co
    S1 0.51683(13) 0.63919(4) 0.80197(8) 0.0489(3) Uani d . 1 . . S
    S2 0.65118(13) 0.58108(4) 0.65687(8) 0.0525(3) Uani d . 1 . . S
    S3 0.83205(14) 0.59760(4) 0.86475(9) 0.0598(4) Uani d . 1 . . S
    S4 0.29945(12) 0.69721(4) 0.44990(8) 0.0467(3) Uani d . 1 . . S
    S5 0.03926(13) 0.75289(4) 0.30874(8) 0.0522(3) Uani d . 1 . . S
    S6 0.33873(13) 0.73256(4) 0.25227(8) 0.0524(3) Uani d . 1 . . S
    O1 0.5683(3) 0.54966(9) 0.91996(18) 0.0505(8) Uani d . 1 . . O
    O2 0.4399(3) 0.53026(9) 0.74094(18) 0.0444(7) Uani d . 1 . . O
    O3 0.7134(3) 0.49881(9) 0.80694(18) 0.0469(8) Uani d . 1 . . O
    O4 0.0517(3) 0.63989(9) 0.35079(19) 0.0458(7) Uani d . 1 . . O
    O5 0.0620(3) 0.67315(10) 0.17621(19) 0.0524(8) Uani d . 1 . . O
    O6 0.2924(3) 0.62727(9) 0.28373(18) 0.0412(7) Uani d . 1 . . O
    N1 0.4825(4) 0.58464(12) 0.9493(2) 0.0393(9) Uani d . 1 . . N
    N2 0.3985(4) 0.53605(11) 0.6449(2) 0.0392(9) Uani d . 1 . . N
    N3 0.8594(4) 0.49929(12) 0.8327(2) 0.0419(9) Uani d . 1 . . N
    N4 0.0702(4) 0.63969(12) 0.4466(3) 0.0412(9) Uani d . 1 . . N
    N5 -0.0391(4) 0.70853(13) 0.1403(2) 0.0464(10) Uani d . 1 . . N
    N6 0.4290(4) 0.63745(12) 0.2754(2) 0.0356(8) Uani d . 1 . . N
    C1 0.4517(4) 0.62886(14) 0.9019(3) 0.0376(11) Uani d . 1 . . C
    C2 0.3663(5) 0.66376(15) 0.9374(3) 0.0514(13) Uani d . 1 . . C
    H2 0.3458 0.6951 0.9075 0.062 Uiso calc R 1 . . H
    C3 0.3119(5) 0.65282(17) 1.0154(3) 0.0575(13) Uani d . 1 . . C
    H3 0.2545 0.6762 1.0382 0.069 Uiso calc R 1 . . H
    C4 0.3441(5) 0.60654(16) 1.0594(3) 0.0510(12) Uani d . 1 . . C
    H4 0.3068 0.5983 1.1118 0.061 Uiso calc R 1 . . H
    C5 0.4301(4) 0.57268(15) 1.0266(3) 0.0455(12) Uani d . 1 . . C
    H5 0.4528 0.5416 1.0570 0.055 Uiso calc R 1 . . H
    C6 0.4866(4) 0.55914(14) 0.5956(3) 0.0387(10) Uani d . 1 . . C
    C7 0.4363(5) 0.56309(15) 0.4976(3) 0.0535(12) Uani d . 1 . . C
    H7 0.4929 0.5799 0.4623 0.064 Uiso calc R 1 . . H
    C8 0.3076(6) 0.54334(16) 0.4521(3) 0.0625(15) Uani d . 1 . . C
    H8 0.2773 0.5455 0.3863 0.075 Uiso calc R 1 . . H
    C9 0.2223(5) 0.51986(16) 0.5054(4) 0.0586(14) Uani d . 1 . . C
    H9 0.1336 0.5060 0.4755 0.070 Uiso calc R 1 . . H
    C10 0.2674(5) 0.51697(14) 0.6013(3) 0.0489(12) Uani d . 1 . . C
    H10 0.2085 0.5019 0.6371 0.059 Uiso calc R 1 . . H
    C11 0.9300(5) 0.54321(16) 0.8629(3) 0.0502(12) Uani d . 1 . . C
    C12 1.0788(5) 0.54025(18) 0.8902(4) 0.0882(19) Uani d . 1 . . C
    H12 1.1307 0.5697 0.9105 0.106 Uiso calc R 1 . . H
    C13 1.1534(5) 0.4957(2) 0.8887(4) 0.110(2) Uani d . 1 . . C
    H13 1.2536 0.4946 0.9087 0.133 Uiso calc R 1 . . H
    C14 1.0751(5) 0.45235(18) 0.8564(3) 0.0755(16) Uani d . 1 . . C
    H14 1.1225 0.4215 0.8546 0.091 Uiso calc R 1 . . H
    C15 0.9296(5) 0.45485(15) 0.8278(3) 0.0514(12) Uani d . 1 . . C
    H15 0.8773 0.4259 0.8045 0.062 Uiso calc R 1 . . H
    C16 0.1851(4) 0.66352(14) 0.5025(3) 0.0417(11) Uani d . 1 . . C
    C17 0.2021(5) 0.65905(15) 0.6007(3) 0.0554(13) Uani d . 1 . . C
    H17 0.2810 0.6743 0.6410 0.067 Uiso calc R 1 . . H
    C18 0.1041(6) 0.63246(18) 0.6386(4) 0.0704(16) Uani d . 1 . . C
    H18 0.1172 0.6290 0.7041 0.085 Uiso calc R 1 . . H
    C19 -0.0151(6) 0.61070(18) 0.5778(4) 0.0669(15) Uani d . 1 . . C
    H19 -0.0843 0.5935 0.6024 0.080 Uiso calc R 1 . . H
    C20 -0.0299(5) 0.61462(15) 0.4834(4) 0.0561(13) Uani d . 1 . . C
    H20 -0.1096 0.6000 0.4428 0.067 Uiso calc R 1 . . H
    C21 -0.0633(4) 0.74820(15) 0.1949(3) 0.0480(12) Uani d . 1 . . C
    C22 -0.1735(5) 0.78210(17) 0.1537(4) 0.0610(14) Uani d . 1 . . C
    H22 -0.1931 0.8099 0.1885 0.073 Uiso calc R 1 . . H
    C23 -0.2524(6) 0.7749(2) 0.0636(4) 0.0842(18) Uani d . 1 . . C
    H23 -0.3266 0.7974 0.0381 0.101 Uiso calc R 1 . . H
    C24 -0.2229(6) 0.7345(2) 0.0097(4) 0.0880(19) Uani d . 1 . . C
    H24 -0.2753 0.7296 -0.0522 0.106 Uiso calc R 1 . . H
    C25 -0.1151(5) 0.70201(19) 0.0499(3) 0.0689(15) Uani d . 1 . . C
    H25 -0.0931 0.6748 0.0146 0.083 Uiso calc R 1 . . H
    C26 0.4673(5) 0.68623(15) 0.2609(3) 0.0446(11) Uani d . 1 . . C
    C27 0.6092(5) 0.69368(18) 0.2527(3) 0.0687(15) Uani d . 1 . . C
    H27 0.6409 0.7265 0.2444 0.082 Uiso calc R 1 . . H
    C28 0.7033(5) 0.6538(2) 0.2567(3) 0.0735(16) Uani d . 1 . . C
    H28 0.7981 0.6596 0.2517 0.088 Uiso calc R 1 . . H
    C29 0.6570(5) 0.60502(18) 0.2680(3) 0.0606(14) Uani d . 1 . . C
    H29 0.7196 0.5776 0.2698 0.073 Uiso calc R 1 . . H
    C30 0.5177(4) 0.59740(15) 0.2766(3) 0.0429(11) Uani d . 1 . . C
    H30 0.4844 0.5646 0.2832 0.051 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Co1 O1 . 1.941(3) ?
    Co1 O3 . 1.944(3) ?
    Co1 O2 . 1.948(3) ?
    Co1 S1 . 2.1873(12) ?
    Co1 S2 . 2.1953(13) ?
    Co1 S3 . 2.2013(14) ?
    Co2 O5 . 1.936(3) ?
    Co2 O6 . 1.944(2) ?
    Co2 O4 . 1.945(3) ?
    Co2 S6 . 2.1956(13) ?
    Co2 S4 . 2.2036(13) ?
    Co2 S5 . 2.2073(12) ?
    S1 C1 . 1.713(4) ?
    S2 C6 . 1.713(4) ?
    S3 C11 . 1.709(4) ?
    S4 C16 . 1.704(4) ?
    S5 C21 . 1.717(4) ?
    S6 C26 . 1.709(4) ?
    O1 N1 . 1.357(3) ?
    O2 N2 . 1.363(4) ?
    O3 N3 . 1.350(4) ?
    O4 N4 . 1.355(4) ?
    O5 N5 . 1.353(4) ?
    O6 N6 . 1.353(3) ?
    N1 C1 . 1.348(4) ?
    N1 C5 . 1.355(4) ?
    N2 C6 . 1.356(4) ?
    N2 C10 . 1.358(5) ?
    N3 C15 . 1.355(4) ?
    N3 C11 . 1.358(4) ?
    N4 C16 . 1.355(5) ?
    N4 C20 . 1.358(5) ?
    N5 C25 . 1.354(5) ?
    N5 C21 . 1.357(5) ?
    N6 C30 . 1.346(4) ?
    N6 C26 . 1.363(4) ?
    C1 C2 . 1.395(5) ?
    C2 C3 . 1.369(5) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.375(5) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.362(5) ?
    C4 H4 . 0.9300 ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.392(5) ?
    C7 C8 . 1.354(5) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.381(6) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.356(5) ?
    C9 H9 . 0.9300 ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.379(6) ?
    C12 C13 . 1.372(6) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.383(6) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.350(5) ?
    C14 H14 . 0.9300 ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.397(5) ?
    C17 C18 . 1.370(6) ?
    C17 H17 . 0.9300 ?
    C18 C19 . 1.390(6) ?
    C18 H18 . 0.9300 ?
    C19 C20 . 1.343(5) ?
    C19 H19 . 0.9300 ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.401(5) ?
    C22 C23 . 1.360(6) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.384(6) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.359(6) ?
    C24 H24 . 0.9300 ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.390(5) ?
    C27 C28 . 1.370(6) ?
    C27 H27 . 0.9300 ?
    C28 C29 . 1.378(5) ?
    C28 H28 . 0.9300 ?
    C29 C30 . 1.369(5) ?
    C29 H29 . 0.9300 ?
    C30 H30 . 0.9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 Co1 O3 . . 88.46(11) ?
    O1 Co1 O2 . . 85.85(12) ?
    O3 Co1 O2 . . 87.24(11) ?
    O1 Co1 S1 . . 88.38(8) ?
    O3 Co1 S1 . . 176.34(9) ?
    O2 Co1 S1 . . 94.38(9) ?
    O1 Co1 S2 . . 173.62(10) ?
    O3 Co1 S2 . . 93.73(9) ?
    O2 Co1 S2 . . 88.27(8) ?
    S1 Co1 S2 . . 89.60(5) ?
    O1 Co1 S3 . . 95.05(9) ?
    O3 Co1 S3 . . 87.78(8) ?
    O2 Co1 S3 . . 174.92(9) ?
    S1 Co1 S3 . . 90.65(5) ?
    S2 Co1 S3 . . 91.03(5) ?
    O5 Co2 O6 . . 86.94(11) ?
    O5 Co2 O4 . . 87.78(12) ?
    O6 Co2 O4 . . 87.58(11) ?
    O5 Co2 S6 . . 94.57(9) ?
    O6 Co2 S6 . . 87.03(8) ?
    O4 Co2 S6 . . 174.00(9) ?
    O5 Co2 S4 . . 175.76(9) ?
    O6 Co2 S4 . . 92.92(8) ?
    O4 Co2 S4 . . 87.98(9) ?
    S6 Co2 S4 . . 89.66(5) ?
    O5 Co2 S5 . . 87.80(9) ?
    O6 Co2 S5 . . 174.58(9) ?
    O4 Co2 S5 . . 93.54(9) ?
    S6 Co2 S5 . . 92.08(5) ?
    S4 Co2 S5 . . 92.42(5) ?
    C1 S1 Co1 . . 96.56(13) ?
    C6 S2 Co1 . . 96.86(15) ?
    C11 S3 Co1 . . 96.60(15) ?
    C16 S4 Co2 . . 96.63(16) ?
    C21 S5 Co2 . . 96.77(16) ?
    C26 S6 Co2 . . 96.67(14) ?
    N1 O1 Co1 . . 115.2(2) ?
    N2 O2 Co1 . . 114.7(2) ?
    N3 O3 Co1 . . 115.9(2) ?
    N4 O4 Co2 . . 114.8(2) ?
    N5 O5 Co2 . . 116.3(2) ?
    N6 O6 Co2 . . 115.4(2) ?
    C1 N1 C5 . . 122.7(4) ?
    C1 N1 O1 . . 120.2(3) ?
    C5 N1 O1 . . 117.1(3) ?
    C6 N2 C10 . . 122.0(4) ?
    C6 N2 O2 . . 120.9(3) ?
    C10 N2 O2 . . 117.1(4) ?
    O3 N3 C15 . . 117.6(3) ?
    O3 N3 C11 . . 119.9(3) ?
    C15 N3 C11 . . 122.5(4) ?
    O4 N4 C16 . . 120.7(3) ?
    O4 N4 C20 . . 117.3(4) ?
    C16 N4 C20 . . 122.1(4) ?
    O5 N5 C25 . . 117.5(4) ?
    O5 N5 C21 . . 120.3(4) ?
    C25 N5 C21 . . 122.3(4) ?
    C30 N6 O6 . . 116.9(3) ?
    C30 N6 C26 . . 123.5(4) ?
    O6 N6 C26 . . 119.6(3) ?
    N1 C1 C2 . . 117.3(4) ?
    N1 C1 S1 . . 119.1(3) ?
    C2 C1 S1 . . 123.6(3) ?
    C3 C2 C1 . . 121.3(4) ?
    C3 C2 H2 . . 119.4 ?
    C1 C2 H2 . . 119.4 ?
    C2 C3 C4 . . 118.7(4) ?
    C2 C3 H3 . . 120.6 ?
    C4 C3 H3 . . 120.6 ?
    C5 C4 C3 . . 120.5(4) ?
    C5 C4 H4 . . 119.8 ?
    C3 C4 H4 . . 119.8 ?
    N1 C5 C4 . . 119.5(4) ?
    N1 C5 H5 . . 120.3 ?
    C4 C5 H5 . . 120.3 ?
    N2 C6 C7 . . 117.1(4) ?
    N2 C6 S2 . . 118.5(3) ?
    C7 C6 S2 . . 124.5(4) ?
    C8 C7 C6 . . 122.2(4) ?
    C8 C7 H7 . . 118.9 ?
    C6 C7 H7 . . 118.9 ?
    C7 C8 C9 . . 118.5(5) ?
    C7 C8 H8 . . 120.7 ?
    C9 C8 H8 . . 120.7 ?
    C10 C9 C8 . . 120.2(5) ?
    C10 C9 H9 . . 119.9 ?
    C8 C9 H9 . . 119.9 ?
    C9 C10 N2 . . 120.0(4) ?
    C9 C10 H10 . . 120.0 ?
    N2 C10 H10 . . 120.0 ?
    N3 C11 C12 . . 116.3(4) ?
    N3 C11 S3 . . 119.1(3) ?
    C12 C11 S3 . . 124.6(4) ?
    C13 C12 C11 . . 122.8(5) ?
    C13 C12 H12 . . 118.6 ?
    C11 C12 H12 . . 118.6 ?
    C12 C13 C14 . . 118.0(5) ?
    C12 C13 H13 . . 121.0 ?
    C14 C13 H13 . . 121.0 ?
    C15 C14 C13 . . 119.9(5) ?
    C15 C14 H14 . . 120.1 ?
    C13 C14 H14 . . 120.1 ?
    C14 C15 N3 . . 120.4(4) ?
    C14 C15 H15 . . 119.8 ?
    N3 C15 H15 . . 119.8 ?
    N4 C16 C17 . . 117.4(4) ?
    N4 C16 S4 . . 118.8(3) ?
    C17 C16 S4 . . 123.7(4) ?
    C18 C17 C16 . . 120.9(5) ?
    C18 C17 H17 . . 119.5 ?
    C16 C17 H17 . . 119.5 ?
    C17 C18 C19 . . 119.1(5) ?
    C17 C18 H18 . . 120.5 ?
    C19 C18 H18 . . 120.5 ?
    C20 C19 C18 . . 119.7(5) ?
    C20 C19 H19 . . 120.2 ?
    C18 C19 H19 . . 120.2 ?
    C19 C20 N4 . . 120.7(5) ?
    C19 C20 H20 . . 119.6 ?
    N4 C20 H20 . . 119.6 ?
    N5 C21 C22 . . 116.8(4) ?
    N5 C21 S5 . . 118.5(3) ?
    C22 C21 S5 . . 124.7(4) ?
    C23 C22 C21 . . 121.1(5) ?
    C23 C22 H22 . . 119.5 ?
    C21 C22 H22 . . 119.5 ?
    C22 C23 C24 . . 120.5(5) ?
    C22 C23 H23 . . 119.8 ?
    C24 C23 H23 . . 119.8 ?
    C25 C24 C23 . . 118.1(5) ?
    C25 C24 H24 . . 121.0 ?
    C23 C24 H24 . . 121.0 ?
    N5 C25 C24 . . 121.3(5) ?
    N5 C25 H25 . . 119.3 ?
    C24 C25 H25 . . 119.3 ?
    N6 C26 C27 . . 116.3(4) ?
    N6 C26 S6 . . 118.2(3) ?
    C27 C26 S6 . . 125.6(4) ?
    C28 C27 C26 . . 121.5(5) ?
    C28 C27 H27 . . 119.3 ?
    C26 C27 H27 . . 119.3 ?
    C27 C28 C29 . . 119.8(5) ?
    C27 C28 H28 . . 120.1 ?
    C29 C28 H28 . . 120.1 ?
    C30 C29 C28 . . 119.1(4) ?
    C30 C29 H29 . . 120.4 ?
    C28 C29 H29 . . 120.4 ?
    N6 C30 C29 . . 119.8(4) ?
    N6 C30 H30 . . 120.1 ?
    C29 C30 H30 . . 120.1 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 Co1 S1 C1 . . . . -4.89(16) ?
    O2 Co1 S1 C1 . . . . 80.83(16) ?
    S2 Co1 S1 C1 . . . . 169.06(14) ?
    S3 Co1 S1 C1 . . . . -99.92(14) ?
    O3 Co1 S2 C6 . . . . 94.22(15) ?
    O2 Co1 S2 C6 . . . . 7.09(15) ?
    S1 Co1 S2 C6 . . . . -87.30(13) ?
    S3 Co1 S2 C6 . . . . -177.94(13) ?
    O1 Co1 S3 C11 . . . . 94.44(17) ?
    O3 Co1 S3 C11 . . . . 6.18(18) ?
    S1 Co1 S3 C11 . . . . -177.13(16) ?
    S2 Co1 S3 C11 . . . . -87.51(16) ?
    O6 Co2 S4 C16 . . . . -94.09(15) ?
    O4 Co2 S4 C16 . . . . -6.62(15) ?
    S6 Co2 S4 C16 . . . . 178.90(14) ?
    S5 Co2 S4 C16 . . . . 86.83(14) ?
    O5 Co2 S5 C21 . . . . -4.09(16) ?
    O4 Co2 S5 C21 . . . . -91.72(16) ?
    S6 Co2 S5 C21 . . . . 90.41(14) ?
    S4 Co2 S5 C21 . . . . -179.85(14) ?
    O5 Co2 S6 C26 . . . . -100.42(16) ?
    O6 Co2 S6 C26 . . . . -13.73(16) ?
    S4 Co2 S6 C26 . . . . 79.21(14) ?
    S5 Co2 S6 C26 . . . . 171.62(14) ?
    O3 Co1 O1 N1 . . . . -174.7(2) ?
    O2 Co1 O1 N1 . . . . -87.3(2) ?
    S1 Co1 O1 N1 . . . . 7.2(2) ?
    S3 Co1 O1 N1 . . . . 97.7(2) ?
    O1 Co1 O2 N2 . . . . 168.8(2) ?
    O3 Co1 O2 N2 . . . . -102.6(2) ?
    S1 Co1 O2 N2 . . . . 80.7(2) ?
    S2 Co1 O2 N2 . . . . -8.7(2) ?
    O1 Co1 O3 N3 . . . . -103.6(2) ?
    O2 Co1 O3 N3 . . . . 170.5(2) ?
    S2 Co1 O3 N3 . . . . 82.4(2) ?
    S3 Co1 O3 N3 . . . . -8.5(2) ?
    O5 Co2 O4 N4 . . . . -169.8(2) ?
    O6 Co2 O4 N4 . . . . 103.1(2) ?
    S4 Co2 O4 N4 . . . . 10.1(2) ?
    S5 Co2 O4 N4 . . . . -82.2(2) ?
    O6 Co2 O5 N5 . . . . -173.0(3) ?
    S6 Co2 O5 N5 . . . . -86.2(2) ?
    S5 Co2 O5 N5 . . . . 5.7(2) ?
    O5 Co2 O6 N6 . . . . 111.3(2) ?
    O4 Co2 O6 N6 . . . . -160.8(2) ?
    S6 Co2 O6 N6 . . . . 16.6(2) ?
    S4 Co2 O6 N6 . . . . -72.9(2) ?
    Co1 O1 N1 C1 . . . . -7.3(4) ?
    Co1 O1 N1 C5 . . . . 172.3(3) ?
    Co1 O2 N2 C6 . . . . 7.4(4) ?
    Co1 O2 N2 C10 . . . . -173.8(2) ?
    Co1 O3 N3 C15 . . . . -172.5(3) ?
    Co1 O3 N3 C11 . . . . 8.0(4) ?
    Co2 O4 N4 C16 . . . . -10.8(4) ?
    Co2 O4 N4 C20 . . . . 169.5(3) ?
    Co2 O5 N5 C25 . . . . 175.7(3) ?
    Co2 O5 N5 C21 . . . . -5.5(4) ?
    Co2 O6 N6 C30 . . . . 170.5(3) ?
    Co2 O6 N6 C26 . . . . -13.3(4) ?
    C5 N1 C1 C2 . . . . 2.3(6) ?
    O1 N1 C1 C2 . . . . -178.2(3) ?
    C5 N1 C1 S1 . . . . -177.2(3) ?
    O1 N1 C1 S1 . . . . 2.4(5) ?
    Co1 S1 C1 N1 . . . . 2.9(3) ?
    Co1 S1 C1 C2 . . . . -176.5(3) ?
    N1 C1 C2 C3 . . . . -2.1(6) ?
    S1 C1 C2 C3 . . . . 177.3(3) ?
    C1 C2 C3 C4 . . . . 0.5(7) ?
    C2 C3 C4 C5 . . . . 1.0(7) ?
    C1 N1 C5 C4 . . . . -0.8(6) ?
    O1 N1 C5 C4 . . . . 179.6(3) ?
    C3 C4 C5 N1 . . . . -0.9(6) ?
    C10 N2 C6 C7 . . . . 0.7(5) ?
    O2 N2 C6 C7 . . . . 179.5(3) ?
    C10 N2 C6 S2 . . . . -179.0(3) ?
    O2 N2 C6 S2 . . . . -0.2(5) ?
    Co1 S2 C6 N2 . . . . -5.7(3) ?
    Co1 S2 C6 C7 . . . . 174.6(3) ?
    N2 C6 C7 C8 . . . . -2.3(6) ?
    S2 C6 C7 C8 . . . . 177.4(3) ?
    C6 C7 C8 C9 . . . . 1.9(7) ?
    C7 C8 C9 C10 . . . . 0.2(7) ?
    C8 C9 C10 N2 . . . . -1.7(6) ?
    C6 N2 C10 C9 . . . . 1.3(6) ?
    O2 N2 C10 C9 . . . . -177.6(3) ?
    O3 N3 C11 C12 . . . . 178.4(4) ?
    C15 N3 C11 C12 . . . . -1.0(7) ?
    O3 N3 C11 S3 . . . . -1.7(5) ?
    C15 N3 C11 S3 . . . . 178.9(3) ?
    Co1 S3 C11 N3 . . . . -4.3(4) ?
    Co1 S3 C11 C12 . . . . 175.7(4) ?
    N3 C11 C12 C13 . . . . -0.8(9) ?
    S3 C11 C12 C13 . . . . 179.2(5) ?
    C11 C12 C13 C14 . . . . 1.3(10) ?
    C12 C13 C14 C15 . . . . 0.0(9) ?
    C13 C14 C15 N3 . . . . -1.8(8) ?
    O3 N3 C15 C14 . . . . -177.1(4) ?
    C11 N3 C15 C14 . . . . 2.4(7) ?
    O4 N4 C16 C17 . . . . -176.1(3) ?
    C20 N4 C16 C17 . . . . 3.5(6) ?
    O4 N4 C16 S4 . . . . 4.2(5) ?
    C20 N4 C16 S4 . . . . -176.2(3) ?
    Co2 S4 C16 N4 . . . . 3.4(3) ?
    Co2 S4 C16 C17 . . . . -176.3(3) ?
    N4 C16 C17 C18 . . . . -1.4(6) ?
    S4 C16 C17 C18 . . . . 178.3(3) ?
    C16 C17 C18 C19 . . . . -1.4(7) ?
    C17 C18 C19 C20 . . . . 2.2(7) ?
    C18 C19 C20 N4 . . . . -0.1(7) ?
    O4 N4 C20 C19 . . . . 176.8(4) ?
    C16 N4 C20 C19 . . . . -2.8(6) ?
    O5 N5 C21 C22 . . . . -177.6(3) ?
    C25 N5 C21 C22 . . . . 1.1(6) ?
    O5 N5 C21 S5 . . . . 1.3(5) ?
    C25 N5 C21 S5 . . . . 180.0(3) ?
    Co2 S5 C21 N5 . . . . 2.7(3) ?
    Co2 S5 C21 C22 . . . . -178.5(3) ?
    N5 C21 C22 C23 . . . . 0.5(7) ?
    S5 C21 C22 C23 . . . . -178.3(4) ?
    C21 C22 C23 C24 . . . . -1.5(8) ?
    C22 C23 C24 C25 . . . . 1.0(9) ?
    O5 N5 C25 C24 . . . . 177.1(4) ?
    C21 N5 C25 C24 . . . . -1.7(7) ?
    C23 C24 C25 N5 . . . . 0.6(8) ?
    C30 N6 C26 C27 . . . . -3.9(6) ?
    O6 N6 C26 C27 . . . . -179.8(3) ?
    C30 N6 C26 S6 . . . . 175.1(3) ?
    O6 N6 C26 S6 . . . . -0.8(5) ?
    Co2 S6 C26 N6 . . . . 11.7(3) ?
    Co2 S6 C26 C27 . . . . -169.4(4) ?
    N6 C26 C27 C28 . . . . 1.6(7) ?
    S6 C26 C27 C28 . . . . -177.2(4) ?
    C26 C27 C28 C29 . . . . 0.7(8) ?
    C27 C28 C29 C30 . . . . -1.0(8) ?
    O6 N6 C30 C29 . . . . 179.7(3) ?
    C26 N6 C30 C29 . . . . 3.7(6) ?
    C28 C29 C30 N6 . . . . -1.1(7) ?
data_y682
_journal_date_recd_electronic     2002-07-11
_journal_date_accepted     2002-08-12
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2002
_journal_volume     58
_journal_issue      9
_journal_page_first     m480
_journal_page_last     m481
_journal_paper_category     EM
_publ_contact_author_name     'Prof. Bei-sheng Kang'
_publ_contact_author_address
;School of Chemistry and Chemical Engineering
Zhongshan University
Guangzhou 510275, Guangdong
China
;
_publ_contact_author_email     'cedc12@zsu.edu.cn.'
_publ_section_title     'Tri(2-sulfidopyridine N-oxide-O,S)-Cobalt(III)'
loop_
    _publ_author_name
    _publ_author_address
    'Yue-Ping Fang'
;Department of Chemistry and Chemical Engineering,
Guangxi Normal University,
Guilin 541004, Guangxi
China
;
    'Chun-long Chen'
;School of Chemistry and Chemical Engineering
Zhongshan University
Guangzhou 510275, Guangdong
China
;
    'Xiu-jian Wang'
;School of Chemistry and Chemical Engineering
Zhongshan University
Guangzhou 510275, Guangdong
China
;
    'Bei-sheng Kang'
;School of Chemistry and Chemical Engineering
Zhongshan University
Guangzhou 510275, Guangdong
China
;
    'Kaibei Yu'
;Chengdu institute of Organic Chemistry
Chinese Academy of Science
Chengdu 610041, Sichuan
China
;
    'Cheng-yong Su'
;School of Chemistry and Chemical Engineering
Zhongshan University
Guangzhou 510275, Guangdong
China
;
