##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, 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_III
_audit_creation_method     SHELXTL-PC
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'C19 H30 Co N5 O4'
_chemical_formula_sum     'C19 H30 Co N5 O4'
_chemical_formula_iupac     '[Co (C6 H11) (C4 H7 N2 O2)2 (C5 H5 N)]'
_chemical_formula_weight     451.41
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P n'
_symmetry_space_group_name_Hall     'P -2yac'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x+1/2, -y, z+1/2'
_cell_length_a     8.268(3)
_cell_length_b     11.757(3)
_cell_length_c     11.0253(19)
_cell_angle_alpha     90.00
_cell_angle_beta     93.721(18)
_cell_angle_gamma     90.00
_cell_volume     1069.5(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     39
_cell_measurement_theta_min     3.03
_cell_measurement_theta_max     12.03
_cell_measurement_temperature     228(2)
_exptl_crystal_description     chunk
_exptl_crystal_colour     orange
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.24
_exptl_crystal_size_min     0.18
_exptl_crystal_density_diffrn     1.402
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     476
_exptl_absorpt_coefficient_mu     0.837
_exptl_absorpt_correction_type     \y-scan
_exptl_absorpt_process_details     'North et al, 1968'
_exptl_absorpt_correction_T_min     0.1513
_exptl_absorpt_correction_T_max     0.1869
_exptl_special_details
;
 'North, A. C. T., Phillips, D. C. & Mathews, F. S.(1968)
 Acta Cryst. A24, 351 - 359.'
?
;
_diffrn_ambient_temperature     228(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     'Bruker P4'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     3254
_diffrn_reflns_av_R_equivalents     0.0344
_diffrn_reflns_av_sigmaI/netI     0.0392
_diffrn_reflns_theta_min     2.54
_diffrn_reflns_theta_max     27.50
_diffrn_reflns_theta_full     27.50
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -1
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     1
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     3
_diffrn_standards_interval_count     197
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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.
 The top 3 peaks (0.65 - 0.39e/Å³) in the final difference Fourier map
 were within 0.86Å of the Co atom.
;
_reflns_number_total     2971
_reflns_number_gt     2660
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0502
_refine_ls_R_factor_gt     0.0420
_refine_ls_wR_factor_gt     0.1007
_refine_ls_wR_factor_ref     0.1058
_refine_ls_goodness_of_fit_ref     1.048
_refine_ls_restrained_S_all     1.047
_refine_ls_number_reflns     2971
_refine_ls_number_parameters     278
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
      'calc w = 1/[σ²(Fo²)+(0.065P)²+0.1117P] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.650
_refine_diff_density_min     -0.242
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983)'
_refine_ls_abs_structure_Flack     0.09(2)
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'
    '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     'Bruker SHELXTL-NT (Bruker, 2001)'
_computing_structure_solution     'Bruker SHELXTL-NT'
_computing_structure_refinement     'Bruker SHELXTL-NT'
_computing_molecular_graphics     'Bruker SHELXTL-NT'
_computing_publication_material     'Bruker SHELXTL-NT'
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 0.26605(9) 0.23452(4) 0.28328(7) 0.02091(14) Uani d . 1 . . Co
    O1 0.1761(6) 0.0104(3) 0.3474(3) 0.0387(10) Uani d . 1 . . O
    O2 0.1011(6) 0.4426(3) 0.3195(3) 0.0368(10) Uani d . 1 . . O
    O3 0.3598(6) 0.4588(3) 0.2159(4) 0.0390(10) Uani d . 1 . . O
    H3O 0.263(11) 0.461(6) 0.251(6) 0.07(3) Uiso d . 1 . . H
    O4 0.4415(6) 0.0283(3) 0.2550(4) 0.0417(10) Uani d . 1 . . O
    H4O 0.358(7) 0.018(4) 0.279(5) 0.020(14) Uiso d . 1 . . H
    N1 0.1340(6) 0.1222(4) 0.3453(4) 0.0270(11) Uani d . 1 . . N
    N2 0.0984(6) 0.3290(4) 0.3309(4) 0.0262(10) Uani d . 1 . . N
    N3 0.3960(6) 0.3468(4) 0.2167(4) 0.0278(11) Uani d . 1 . . N
    N4 0.4370(6) 0.1398(4) 0.2348(4) 0.0277(11) Uani d . 1 . . N
    N5 0.3841(6) 0.2545(3) 0.4553(4) 0.0241(10) Uani d . 1 . . N
    C1 -0.0014(8) 0.1559(5) 0.3877(5) 0.0324(13) Uani d . 1 . . C
    C2 -0.0216(7) 0.2788(5) 0.3780(4) 0.0321(13) Uani d . 1 . . C
    C3 0.5241(7) 0.3126(6) 0.1654(4) 0.0336(13) Uani d . 1 . . C
    C4 0.5483(7) 0.1910(6) 0.1767(5) 0.0323(13) Uani d . 1 . . C
    C5 -0.1183(9) 0.0761(6) 0.4390(5) 0.0531(19) Uani d . 1 . . C
    H5A -0.0765 -0.0009 0.4357 0.080 Uiso calc R 1 . . H
    H5B -0.2214 0.0805 0.3919 0.080 Uiso calc R 1 . . H
    H5C -0.1334 0.0964 0.5228 0.080 Uiso calc R 1 . . H
    C6 -0.1647(8) 0.3395(6) 0.4217(5) 0.0520(17) Uani d . 1 . . C
    H6A -0.1542 0.4204 0.4068 0.078 Uiso calc R 1 . . H
    H6B -0.1707 0.3264 0.5081 0.078 Uiso calc R 1 . . H
    H6C -0.2626 0.3114 0.3785 0.078 Uiso calc R 1 . . H
    C7 0.6314(9) 0.3922(6) 0.1004(6) 0.0590(19) Uani d . 1 . . C
    H7A 0.5899 0.4691 0.1051 0.089 Uiso calc R 1 . . H
    H7B 0.6329 0.3697 0.0158 0.089 Uiso calc R 1 . . H
    H7C 0.7405 0.3891 0.1382 0.089 Uiso calc R 1 . . H
    C8 0.6881(8) 0.1285(6) 0.1277(6) 0.0500(17) Uani d . 1 . . C
    H8A 0.6793 0.0481 0.1457 0.075 Uiso calc R 1 . . H
    H8B 0.7890 0.1579 0.1653 0.075 Uiso calc R 1 . . H
    H8C 0.6866 0.1392 0.0404 0.075 Uiso calc R 1 . . H
    C9 0.1361(8) 0.1106(5) 0.0733(5) 0.0369(12) Uani d . 1 . . C
    H9A 0.079(8) 0.107(5) -0.012(5) 0.049(17) Uiso d . 1 . . H
    H9B 0.171(7) 0.041(4) 0.111(4) 0.027(13) Uiso d . 1 . . H
    C10 0.1523(7) 0.2142(4) 0.1196(5) 0.0260(11) Uani d . 1 . . C
    C11 0.0870(7) 0.3174(4) 0.0566(4) 0.0326(12) Uani d . 1 . . C
    H11A 0.1749 0.3731 0.0549 0.039 Uiso calc R 1 . . H
    H11B 0.0040 0.3500 0.1058 0.039 Uiso calc R 1 . . H
    C12 0.0116(7) 0.3030(5) -0.0752(4) 0.0352(12) Uani d . 1 . . C
    H12A -0.0595 0.2362 -0.0783 0.042 Uiso calc R 1 . . H
    H12B -0.0554 0.3697 -0.0965 0.042 Uiso calc R 1 . . H
    C13 0.1364(7) 0.2890(5) -0.1689(4) 0.0467(15) Uani d . 1 . . C
    H13A 0.2015 0.3585 -0.1719 0.056 Uiso calc R 1 . . H
    H13B 0.2093 0.2261 -0.1449 0.056 Uiso calc R 1 . . H
    C14 0.0563(9) 0.2653(5) -0.2939(5) 0.0547(16) Uani d . 1 . . C
    H14A 0.1388 0.2568 -0.3519 0.082 Uiso calc R 1 . . H
    H14B -0.0146 0.3282 -0.3184 0.082 Uiso calc R 1 . . H
    H14C -0.0067 0.1959 -0.2915 0.082 Uiso calc R 1 . . H
    C15 0.4282(7) 0.1650(4) 0.5247(4) 0.0363(12) Uani d . 1 . . C
    H15A 0.4096 0.0916 0.4929 0.044 Uiso calc R 1 . . H
    C16 0.4991(8) 0.1753(5) 0.6400(5) 0.0465(14) Uani d . 1 . . C
    H16A 0.5296 0.1101 0.6854 0.056 Uiso calc R 1 . . H
    C17 0.5250(8) 0.2813(5) 0.6882(5) 0.0465(15) Uani d . 1 . . C
    H17A 0.5719 0.2906 0.7676 0.056 Uiso calc R 1 . . H
    C18 0.4802(8) 0.3744(5) 0.6172(5) 0.0441(13) Uani d . 1 . . C
    H18A 0.4974 0.4484 0.6475 0.053 Uiso calc R 1 . . H
    C19 0.4112(7) 0.3583(4) 0.5030(5) 0.0322(12) Uani d . 1 . . C
    H19A 0.3812 0.4223 0.4558 0.039 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.
 Mean-plane data from final SHELXL refinement run:
 Least-squares planes (x,y,z in crystal coordinates) and deviations from them
 (* indicates atom used to define plane)
  7.6344 (0.0044) x + 0.1455 (0.0317) y - 4.8822 (0.0115) z = 0.7147 (0.0090)
 *   -0.0325 (0.0026)  Co1
 *    0.0320 (0.0045)  N5
 *    0.0165 (0.0047)  C15
 *   -0.0033 (0.0045)  C16
 *   -0.0260 (0.0053)  C17
 *   -0.0071 (0.0044)  C18
 *    0.0204 (0.0044)  C19
     -1.3599 (0.0069)  N1
     -1.5311 (0.0064)  N2
      1.3006 (0.0068)  N3
      1.4951 (0.0067)  N4
     -0.1043 (0.0063)  C10
 Rms deviation of fitted atoms =   0.0224
  3.5592 (0.0052) x + 1.3958 (0.0068) y + 9.5362 (0.0048) z = 3.9570 (0.0024)
 Angle to previous plane (with approximate esd) = 86.81 ( 0.07 )
 *    0.0186 (0.0016)  Co1
 *   -0.0167 (0.0038)  N1
 *    0.0083 (0.0037)  N2
 *    0.0031 (0.0039)  N3
 *    0.0327 (0.0040)  N4
 *   -0.0027 (0.0037)  O1
 *    0.0678 (0.0035)  O2
 *    0.0226 (0.0036)  O3
 *    0.0853 (0.0040)  O4
 *   -0.0468 (0.0047)  C1
 *   -0.0400 (0.0043)  C2
 *   -0.0780 (0.0042)  C3
 *   -0.0541 (0.0045)  C4
      2.1066 (0.0048)  N5
     -1.9754 (0.0055)  C10
 Rms deviation of fitted atoms =   0.0455
  7.4086 (0.0069) x + 1.3277 (0.0389) y - 5.3646 (0.0150) z = 0.7645 (0.0097)
 Angle to previous plane (with approximate esd) = 89.14 ( 0.09 )
 *   -0.0018 (0.0013)  Co1
 *   -0.0028 (0.0020)  C9
 *    0.0070 (0.0050)  C10
 *   -0.0025 (0.0018)  C11
     -1.4621 (0.0066)  N1
     -1.3739 (0.0069)  N2
      1.4668 (0.0065)  N3
      1.3986 (0.0067)  N4
      0.1274 (0.0093)  C12
      1.5361 (0.0095)  C13
      1.5814 (0.0122)  C14
 Rms deviation of fitted atoms =   0.0041
;
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 N1 . 1.871(5) yes
    Co1 N2 . 1.877(5) yes
    Co1 N3 . 1.881(5) yes
    Co1 N4 . 1.903(5) yes
    Co1 C10 . 1.994(5) yes
    Co1 N5 . 2.089(4) yes
    O1 N1 . 1.360(6) yes
    O2 N2 . 1.342(6) yes
    O3 N3 . 1.349(6) yes
    O3 H3O . 0.91(9) no
    O4 N4 . 1.330(6) yes
    O4 H4O . 0.77(5) no
    N1 C1 . 1.303(8) yes
    N2 C2 . 1.292(7) yes
    N3 C3 . 1.297(7) yes
    N4 C4 . 1.303(8) yes
    N5 C15 . 1.338(6) yes
    N5 C19 . 1.342(6) yes
    C1 C2 . 1.458(8) yes
    C1 C5 . 1.485(8) no
    C2 C6 . 1.488(8) no
    C3 C4 . 1.448(10) yes
    C3 C7 . 1.503(8) no
    C4 C8 . 1.499(9) no
    C5 H5A . 0.9700 no
    C5 H5B . 0.9700 no
    C5 H5C . 0.9700 no
    C6 H6A . 0.9700 no
    C6 H6B . 0.9700 no
    C6 H6C . 0.9700 no
    C7 H7A . 0.9700 no
    C7 H7B . 0.9700 no
    C7 H7C . 0.9700 no
    C8 H8A . 0.9700 no
    C8 H8B . 0.9700 no
    C8 H8C . 0.9700 no
    C9 C10 . 1.324(7) yes
    C9 H9A . 1.02(6) no
    C9 H9B . 0.95(5) no
    C10 C11 . 1.482(7) yes
    C11 C12 . 1.553(6) no
    C11 H11A . 0.9800 no
    C11 H11B . 0.9800 no
    C12 C13 . 1.516(7) no
    C12 H12A . 0.9800 no
    C12 H12B . 0.9800 no
    C13 C14 . 1.515(7) no
    C13 H13A . 0.9800 no
    C13 H13B . 0.9800 no
    C14 H14A . 0.9700 no
    C14 H14B . 0.9700 no
    C14 H14C . 0.9700 no
    C15 C16 . 1.370(7) no
    C15 H15A . 0.9400 no
    C16 C17 . 1.366(8) no
    C16 H16A . 0.9400 no
    C17 C18 . 1.382(8) no
    C17 H17A . 0.9400 no
    C18 C19 . 1.361(7) no
    C18 H18A . 0.9400 no
    C19 H19A . 0.9400 no
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
    N1 Co1 N2 . . 81.7(2) yes
    N1 Co1 N3 . . 178.4(2) yes
    N2 Co1 N3 . . 98.31(19) yes
    N1 Co1 N4 . . 98.70(19) yes
    N2 Co1 N4 . . 179.6(2) yes
    N3 Co1 N4 . . 81.3(2) yes
    N1 Co1 C10 . . 89.7(2) yes
    N2 Co1 C10 . . 90.6(2) yes
    N3 Co1 C10 . . 88.8(2) yes
    N4 Co1 C10 . . 89.5(2) yes
    N1 Co1 N5 . . 89.82(18) yes
    N2 Co1 N5 . . 89.40(18) yes
    N3 Co1 N5 . . 91.74(19) yes
    N4 Co1 N5 . . 90.50(19) yes
    C10 Co1 N5 . . 179.5(2) yes
    N3 O3 H3O . . 103(4) no
    N4 O4 H4O . . 102(4) no
    C1 N1 O1 . . 120.9(5) no
    C1 N1 Co1 . . 116.9(4) no
    O1 N1 Co1 . . 122.3(4) no
    C2 N2 O2 . . 120.7(5) no
    C2 N2 Co1 . . 116.3(4) no
    O2 N2 Co1 . . 123.0(4) no
    C3 N3 O3 . . 119.1(5) no
    C3 N3 Co1 . . 117.1(4) no
    O3 N3 Co1 . . 123.8(4) no
    C4 N4 O4 . . 121.6(5) no
    C4 N4 Co1 . . 115.4(4) no
    O4 N4 Co1 . . 122.9(4) no
    C15 N5 C19 . . 117.3(4) no
    C15 N5 Co1 . . 121.7(4) no
    C19 N5 Co1 . . 121.0(3) no
    N1 C1 C2 . . 111.9(5) no
    N1 C1 C5 . . 122.7(6) no
    C2 C1 C5 . . 125.5(6) no
    N2 C2 C1 . . 113.2(5) no
    N2 C2 C6 . . 124.0(6) no
    C1 C2 C6 . . 122.8(6) no
    N3 C3 C4 . . 112.4(5) no
    N3 C3 C7 . . 122.6(6) no
    C4 C3 C7 . . 125.0(5) no
    N4 C4 C3 . . 113.6(5) no
    N4 C4 C8 . . 122.5(6) no
    C3 C4 C8 . . 123.9(5) no
    C1 C5 H5A . . 109.5 no
    C1 C5 H5B . . 109.5 no
    H5A C5 H5B . . 109.5 no
    C1 C5 H5C . . 109.5 no
    H5A C5 H5C . . 109.5 no
    H5B C5 H5C . . 109.5 no
    C2 C6 H6A . . 109.5 no
    C2 C6 H6B . . 109.5 no
    H6A C6 H6B . . 109.5 no
    C2 C6 H6C . . 109.5 no
    H6A C6 H6C . . 109.5 no
    H6B C6 H6C . . 109.5 no
    C3 C7 H7A . . 109.5 no
    C3 C7 H7B . . 109.5 no
    H7A C7 H7B . . 109.5 no
    C3 C7 H7C . . 109.5 no
    H7A C7 H7C . . 109.5 no
    H7B C7 H7C . . 109.5 no
    C4 C8 H8A . . 109.5 no
    C4 C8 H8B . . 109.5 no
    H8A C8 H8B . . 109.5 no
    C4 C8 H8C . . 109.5 no
    H8A C8 H8C . . 109.5 no
    H8B C8 H8C . . 109.5 no
    C10 C9 H9A . . 115(3) no
    C10 C9 H9B . . 127(3) no
    H9A C9 H9B . . 119(4) no
    C9 C10 C11 . . 123.2(5) yes
    C9 C10 Co1 . . 119.3(4) yes
    C11 C10 Co1 . . 117.5(4) yes
    C10 C11 C12 . . 117.5(4) no
    C10 C11 H11A . . 107.9 no
    C12 C11 H11A . . 107.9 no
    C10 C11 H11B . . 107.9 no
    C12 C11 H11B . . 107.9 no
    H11A C11 H11B . . 107.2 no
    C13 C12 C11 . . 113.6(5) no
    C13 C12 H12A . . 108.8 no
    C11 C12 H12A . . 108.8 no
    C13 C12 H12B . . 108.8 no
    C11 C12 H12B . . 108.8 no
    H12A C12 H12B . . 107.7 no
    C14 C13 C12 . . 111.3(5) no
    C14 C13 H13A . . 109.4 no
    C12 C13 H13A . . 109.4 no
    C14 C13 H13B . . 109.4 no
    C12 C13 H13B . . 109.4 no
    H13A C13 H13B . . 108.0 no
    C13 C14 H14A . . 109.5 no
    C13 C14 H14B . . 109.5 no
    H14A C14 H14B . . 109.5 no
    C13 C14 H14C . . 109.5 no
    H14A C14 H14C . . 109.5 no
    H14B C14 H14C . . 109.5 no
    N5 C15 C16 . . 123.1(5) no
    N5 C15 H15A . . 118.5 no
    C16 C15 H15A . . 118.5 no
    C17 C16 C15 . . 119.2(5) no
    C17 C16 H16A . . 120.4 no
    C15 C16 H16A . . 120.4 no
    C16 C17 C18 . . 118.2(5) no
    C16 C17 H17A . . 120.9 no
    C18 C17 H17A . . 120.9 no
    C19 C18 C17 . . 119.6(5) no
    C19 C18 H18A . . 120.2 no
    C17 C18 H18A . . 120.2 no
    N5 C19 C18 . . 122.6(5) no
    N5 C19 H19A . . 118.7 no
    C18 C19 H19A . . 118.7 no
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
    N2 Co1 N1 C1 . . . . 0.8(4) no
    N4 Co1 N1 C1 . . . . -179.3(4) no
    C10 Co1 N1 C1 . . . . -89.9(4) no
    N5 Co1 N1 C1 . . . . 90.2(4) no
    N2 Co1 N1 O1 . . . . -178.8(4) no
    N4 Co1 N1 O1 . . . . 1.1(4) no
    C10 Co1 N1 O1 . . . . 90.5(4) no
    N5 Co1 N1 O1 . . . . -89.4(4) no
    N1 Co1 N2 C2 . . . . -1.2(4) no
    N3 Co1 N2 C2 . . . . 177.2(4) no
    C10 Co1 N2 C2 . . . . 88.4(4) no
    N5 Co1 N2 C2 . . . . -91.1(4) no
    N1 Co1 N2 O2 . . . . 177.8(4) no
    N3 Co1 N2 O2 . . . . -3.8(4) no
    C10 Co1 N2 O2 . . . . -92.6(4) no
    N5 Co1 N2 O2 . . . . 87.9(4) no
    N2 Co1 N3 C3 . . . . -175.8(4) no
    N4 Co1 N3 C3 . . . . 4.3(4) no
    C10 Co1 N3 C3 . . . . -85.4(4) no
    N5 Co1 N3 C3 . . . . 94.5(4) no
    N2 Co1 N3 O3 . . . . 1.7(4) no
    N4 Co1 N3 O3 . . . . -178.2(4) no
    C10 Co1 N3 O3 . . . . 92.2(4) no
    N5 Co1 N3 O3 . . . . -87.9(4) no
    N1 Co1 N4 C4 . . . . 174.5(4) no
    N3 Co1 N4 C4 . . . . -3.9(4) no
    C10 Co1 N4 C4 . . . . 84.9(4) no
    N5 Co1 N4 C4 . . . . -95.6(4) no
    N1 Co1 N4 O4 . . . . -3.5(5) no
    N3 Co1 N4 O4 . . . . 178.1(4) no
    C10 Co1 N4 O4 . . . . -93.0(4) no
    N5 Co1 N4 O4 . . . . 86.4(4) no
    N1 Co1 N5 C15 . . . . 43.4(5) no
    N2 Co1 N5 C15 . . . . 125.1(5) no
    N3 Co1 N5 C15 . . . . -136.6(5) no
    N4 Co1 N5 C15 . . . . -55.3(5) no
    N1 Co1 N5 C19 . . . . -133.1(5) no
    N2 Co1 N5 C19 . . . . -51.4(5) no
    N3 Co1 N5 C19 . . . . 46.9(5) no
    N4 Co1 N5 C19 . . . . 128.2(5) no
    O1 N1 C1 C2 . . . . 179.3(4) no
    Co1 N1 C1 C2 . . . . -0.3(6) no
    O1 N1 C1 C5 . . . . -0.8(8) no
    Co1 N1 C1 C5 . . . . 179.6(4) no
    O2 N2 C2 C1 . . . . -177.7(4) no
    Co1 N2 C2 C1 . . . . 1.3(6) no
    O2 N2 C2 C6 . . . . 0.6(7) no
    Co1 N2 C2 C6 . . . . 179.6(4) no
    N1 C1 C2 N2 . . . . -0.7(7) no
    C5 C1 C2 N2 . . . . 179.4(5) no
    N1 C1 C2 C6 . . . . -179.0(5) no
    C5 C1 C2 C6 . . . . 1.1(8) no
    O3 N3 C3 C4 . . . . 178.5(4) no
    Co1 N3 C3 C4 . . . . -3.8(6) no
    O3 N3 C3 C7 . . . . -2.4(8) no
    Co1 N3 C3 C7 . . . . 175.2(4) no
    O4 N4 C4 C3 . . . . -179.1(5) no
    Co1 N4 C4 C3 . . . . 2.9(6) no
    O4 N4 C4 C8 . . . . 0.4(8) no
    Co1 N4 C4 C8 . . . . -177.6(4) no
    N3 C3 C4 N4 . . . . 0.5(6) no
    C7 C3 C4 N4 . . . . -178.5(6) no
    N3 C3 C4 C8 . . . . -179.0(5) no
    C7 C3 C4 C8 . . . . 2.0(8) no
    N1 Co1 C10 C9 . . . . -50.7(5) no
    N2 Co1 C10 C9 . . . . -132.4(5) no
    N3 Co1 C10 C9 . . . . 129.3(5) no
    N4 Co1 C10 C9 . . . . 48.0(5) no
    N1 Co1 C10 C11 . . . . 128.1(4) no
    N2 Co1 C10 C11 . . . . 46.4(4) no
    N3 Co1 C10 C11 . . . . -51.9(4) no
    N4 Co1 C10 C11 . . . . -133.2(4) no
    C9 C10 C11 C12 . . . . -6.3(9) no
    Co1 C10 C11 C12 . . . . 174.9(4) no
    C10 C11 C12 C13 . . . . -75.9(7) no
    C11 C12 C13 C14 . . . . 175.2(5) no
    C19 N5 C15 C16 . . . . -0.3(9) no
    Co1 N5 C15 C16 . . . . -177.0(5) no
    N5 C15 C16 C17 . . . . 0.9(10) no
    C15 C16 C17 C18 . . . . -1.0(10) no
    C16 C17 C18 C19 . . . . 0.6(10) no
    C15 N5 C19 C18 . . . . -0.1(9) no
    Co1 N5 C19 C18 . . . . 176.6(4) no
    C17 C18 C19 N5 . . . . -0.1(10) no
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O3 H3O O2 1_555 0.91(9) 1.59(9) 2.497(7) 170(7) yes
    O4 H4O O1 1_555 0.77(5) 1.73(5) 2.487(6) 172(6) yes
data_global
_journal_data_validation_number     ?
_journal_date_recd_electronic     2003-03-18
_journal_date_accepted     2003-03-25
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2003
_journal_volume     59
_journal_issue      5
_journal_page_first     m193
_journal_page_last     m195
_journal_paper_category     FM
_publ_contact_author_name     'Mark E. Welker'
_publ_contact_author_address
;
Department of Chemistry
Wake Forest University
Winston-Salem, NC 27109
USA
;
_publ_contact_author_email     welker@wfu.edu
_publ_contact_author_fax     '336 758 4656'
_publ_contact_author_phone     '336 758 5758'
_publ_section_title
;
trans-Bis(dimethylglyoximato-κ²N,N')(1-hexenyl)(pyridine-\kN)cobalt(III):
a cobaloxime-substituted terminal alkene that rapidly isomerizes to a
cobaloxime-substituted internal alkenyl complex
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Pickin, Kerry A.' .
;
Department of Chemistry
Wake Forest University
Winston-Salem, NC 27109
USA
;
    'Day, Cynthia S.' .
;
Department of Chemistry
Wake Forest University
Winston-Salem, NC 27109
USA
;
    'Wright, Marcus W.' .
;
Department of Chemistry
Wake Forest University
Winston-Salem, NC 27109
USA
;
    'Welker, Mark E.' .
;
Department of Chemistry
Wake Forest University
Winston-Salem, NC 27109
USA
;
