# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2000
# CCDC Number: 440/201

data_(1)
 
_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C18 H28 Co0.50 N5 O8'
_chemical_formula_weight          471.92
_chemical_melting_point           ?
_chemical_compound_source         ?
 
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'
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2/n
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y, z-1/2'
 
_cell_length_a                    15.290(3)
_cell_length_b                    9.609(2)
_cell_length_c                    16.956(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  97.93(3)
_cell_angle_gamma                 90.00
_cell_volume                      2467.4(9)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     30
_cell_measurement_theta_min       4.91
_cell_measurement_theta_max       9.60
 
_exptl_crystal_description        prism
_exptl_crystal_colour             pink
_exptl_crystal_size_max           0.52
_exptl_crystal_size_mid           0.42
_exptl_crystal_size_min           0.40
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.270
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              994
_exptl_absorpt_coefficient_mu     0.419
_exptl_absorpt_correction_type    psi-scan
_exptl_absorpt_correction_T_min   0.27578
_exptl_absorpt_correction_T_max   0.29856
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'Siemens P4 diffractometer'
_diffrn_measurement_method        \w--2\q
_diffrn_standards_number          3
_diffrn_standards_interval_count  100
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         none
_diffrn_reflns_number             5204
_diffrn_reflns_av_R_equivalents   0.0240
_diffrn_reflns_av_sigmaI/netI     0.1224
_diffrn_reflns_limit_h_min        -1
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -1
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -20
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          1.68
_diffrn_reflns_theta_max          25.03
_reflns_number_total              3973
_reflns_number_observed           1873
_reflns_observed_criterion        >2sigma(I)
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement on F^2^ for ALL reflections except for 50 with very negative
F^2^
 or flagged by the user for potential systematic errors.  Weighted
R-factors
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R

 are based on F, with F set to zero for negative F^2^. The observed
criterion
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_gt etc. and
is
 not relevant to the choice of reflections for refinement.  R-factors based

 on F^2^ are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme
 'calc w=1/[\s^2^(Fo^2^)+(0.0876P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          3923
_refine_ls_number_parameters      286
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1428
_refine_ls_R_factor_gt            0.0637
_refine_ls_wR_factor_all          0.2438
_refine_ls_wR_factor_ref          0.1458
_refine_ls_goodness_of_fit_all    0.850
_refine_ls_goodness_of_fit_ref    1.096
_refine_ls_restrained_S_all       1.252
_refine_ls_restrained_S_obs       1.096
_refine_ls_shift/esd_max          -0.001
_refine_ls_shift/esd_mean         0.000
 
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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
Co Co 0.7500 0.66328(11) 0.7500 0.0371(3) Uani 1 d S .
O1 O 0.7513(4) 0.0611(8) 0.5561(5) 0.138(3) Uani 1 d . .
O2 O 0.8438(5) 0.2183(7) 0.5617(4) 0.125(2) Uani 1 d . .
O3 O 0.7885(4) 0.1401(7) 0.4493(3) 0.124(2) Uani 1 d . .
N1 N 0.6465(3) 0.6739(5) 0.8222(2) 0.0412(11) Uani 1 d . .
N2 N 0.5813(3) 0.7423(5) 0.9256(2) 0.0459(12) Uani 1 d . .
N3 N 0.8456(3) 0.6685(5) 0.8564(2) 0.0402(11) Uani 1 d . .
N4 N 0.9625(3) 0.7445(5) 0.9382(2) 0.0443(11) Uani 1 d . .
N5 N 0.7941(5) 0.1399(9) 0.5213(5) 0.083(2) Uani 1 d . .
C1 C 0.6475(4) 0.7615(6) 0.8830(3) 0.0456(14) Uani 1 d . .
H1 H 0.6903(4) 0.8299(6) 0.8947(3) 0.080 Uiso 1 calc R .
C2 C 0.5303(4) 0.6337(6) 0.8914(3) 0.0435(14) Uani 1 d . .
C3 C 0.4534(4) 0.5728(7) 0.9099(3) 0.060(2) Uani 1 d . .
H3 H 0.4254(4) 0.6048(7) 0.9518(3) 0.080 Uiso 1 calc R .
C4 C 0.4208(5) 0.4625(8) 0.8631(4) 0.073(2) Uani 1 d . .
H4 H 0.3697(5) 0.4182(8) 0.8738(4) 0.080 Uiso 1 calc R .
C5 C 0.4629(4) 0.4150(7) 0.7992(4) 0.062(2) Uani 1 d . .
H5 H 0.4394(4) 0.3391(7) 0.7695(4) 0.080 Uiso 1 calc R .
C6 C 0.5376(4) 0.4776(6) 0.7798(3) 0.053(2) Uani 1 d . .
H6 H 0.5645(4) 0.4466(6) 0.7371(3) 0.080 Uiso 1 calc R .
C7 C 0.5719(4) 0.5907(6) 0.8270(3) 0.0400(13) Uani 1 d . .
C8 C 0.5627(4) 0.8284(7) 0.9926(3) 0.057(2) Uani 1 d . .
H8A H 0.6180(4) 0.8582(7) 1.0228(3) 0.080 Uiso 1 calc R .
H8B H 0.5315(4) 0.7728(7) 1.0275(3) 0.080 Uiso 1 calc R .
C9 C 0.5085(4) 0.9537(6) 0.9661(3) 0.0492(15) Uani 1 d . .
H9A H 0.4524(4) 0.9235(6) 0.9375(3) 0.080 Uiso 1 calc R .
H9B H 0.5387(4) 1.0070(6) 0.9295(3) 0.080 Uiso 1 calc R .
C10 C 0.9167(3) 0.7472(6) 0.8644(3) 0.0445(14) Uani 1 d . .
H10 H 0.9338(3) 0.7997(6) 0.8230(3) 0.080 Uiso 1 calc R .
C11 C 0.9183(4) 0.6549(6) 0.9825(3) 0.0434(13) Uani 1 d . .
C12 C 0.9364(4) 0.6105(7) 1.0614(3) 0.059(2) Uani 1 d . .
H12 H 0.9858(4) 0.6415(7) 1.0951(3) 0.080 Uiso 1 calc R .
C13 C 0.8781(5) 0.5197(7) 1.0866(3) 0.066(2) Uani 1 d . .
H13 H 0.8879(5) 0.4880(7) 1.1389(3) 0.080 Uiso 1 calc R .
C14 C 0.8039(4) 0.4725(6) 1.0365(3) 0.056(2) Uani 1 d . .
H14 H 0.7655(4) 0.4109(6) 1.0565(3) 0.080 Uiso 1 calc R .
C15 C 0.7861(4) 0.5145(6) 0.9584(3) 0.0466(15) Uani 1 d . .
H15 H 0.7368(4) 0.4821(6) 0.9251(3) 0.080 Uiso 1 calc R .
C16 C 0.8454(4) 0.6082(6) 0.9313(3) 0.0392(13) Uani 1 d . .
C17 C 1.0447(3) 0.8216(6) 0.9679(3) 0.055(2) Uani 1 d . .
H17A H 1.0714(3) 0.8556(6) 0.9229(3) 0.080 Uiso 1 calc R .
H17B H 1.0863(3) 0.7585(6) 0.9979(3) 0.080 Uiso 1 calc R .
C18 C 1.0270(5) 0.9453(7) 1.0213(4) 0.082(2) Uani 1 d . .
H18A H 0.9975(5) 0.9114(7) 1.0646(4) 0.080 Uiso 1 calc R .
H18B H 1.0831(5) 0.9850(7) 1.0443(4) 0.080 Uiso 1 calc R .
OW1 O 0.7500 0.4456(5) 0.7500 0.0473(13) Uani 1 d S .
OW2 O 0.7500 0.8925(6) 0.7500 0.0572(15) Uani 1 d S .
OW3 O 0.8427(3) 0.2486(4) 0.8408(2) 0.0673(12) Uani 1 d . .
OW4 O 0.6123(3) 1.0726(4) 0.7790(2) 0.0721(13) Uani 1 d . .
OW5 O 1.0575(4) 0.9788(9) 0.7595(4) 0.157(3) Uani 1 d . .
OW6 O 0.6922(6) -0.1137(13) 0.3785(5) 0.233(5) Uani 1 d . .
 
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Co 0.0390(7) 0.0402(6) 0.0303(5) 0.000 -0.0013(4) 0.000
O1 0.102(5) 0.146(6) 0.172(6) 0.071(5) 0.038(5) 0.029(5)
O2 0.138(6) 0.098(5) 0.137(6) -0.023(4) 0.006(5) 0.016(4)
O3 0.128(5) 0.168(6) 0.077(4) 0.016(4) 0.019(3) 0.043(5)
N1 0.044(3) 0.044(3) 0.035(2) -0.005(2) 0.005(2) -0.003(3)
N2 0.052(3) 0.050(3) 0.038(2) -0.008(2) 0.014(2) 0.004(3)
N3 0.042(3) 0.048(3) 0.030(2) 0.003(2) 0.001(2) -0.008(3)
N4 0.042(3) 0.046(3) 0.043(2) -0.006(2) -0.002(2) 0.000(2)
N5 0.083(5) 0.083(6) 0.088(5) 0.025(5) 0.026(4) 0.033(4)
C1 0.057(4) 0.044(3) 0.036(3) -0.003(3) 0.005(3) 0.000(3)
C2 0.045(4) 0.048(4) 0.038(3) 0.002(3) 0.007(3) 0.001(3)
C3 0.057(4) 0.069(5) 0.057(4) 0.005(3) 0.015(3) 0.001(4)
C4 0.058(4) 0.087(5) 0.072(4) 0.015(4) 0.007(4) -0.021(4)
C5 0.052(4) 0.064(4) 0.068(4) -0.012(3) -0.004(3) -0.016(4)
C6 0.047(4) 0.065(4) 0.047(3) -0.005(3) 0.002(3) -0.002(3)
C7 0.047(4) 0.041(3) 0.031(3) 0.005(2) 0.001(2) -0.001(3)
C8 0.072(4) 0.063(4) 0.039(3) -0.008(3) 0.016(3) 0.004(4)
C9 0.057(4) 0.051(4) 0.042(3) -0.006(3) 0.019(3) -0.006(3)
C10 0.039(4) 0.049(4) 0.043(3) -0.002(3) -0.002(3) 0.001(3)
C11 0.049(3) 0.044(3) 0.035(3) -0.002(3) -0.002(2) 0.003(3)
C12 0.070(5) 0.060(4) 0.040(3) -0.008(3) -0.018(3) 0.003(4)
C13 0.090(5) 0.066(4) 0.039(3) 0.008(3) -0.003(3) -0.005(4)
C14 0.070(4) 0.055(4) 0.043(3) 0.004(3) 0.011(3) -0.003(4)
C15 0.047(4) 0.051(4) 0.039(3) -0.006(3) -0.003(3) -0.003(3)
C16 0.046(3) 0.039(3) 0.031(2) -0.003(2) -0.002(2) 0.002(3)
C17 0.036(3) 0.052(4) 0.072(4) -0.014(3) -0.012(3) -0.006(3)
C18 0.089(6) 0.063(5) 0.080(5) -0.011(4) -0.037(4) -0.021(4)
OW1 0.052(3) 0.037(3) 0.049(3) 0.000 -0.004(3) 0.000
OW2 0.064(4) 0.042(3) 0.066(3) 0.000 0.012(3) 0.000
OW3 0.081(3) 0.064(3) 0.051(2) 0.004(2) -0.012(2) 0.016(3)
OW4 0.087(3) 0.062(3) 0.070(3) 0.004(2) 0.018(2) 0.011(3)
OW5 0.099(4) 0.247(9) 0.121(4) 0.028(5) 0.002(4) 0.010(5)
OW6 0.198(9) 0.281(12) 0.204(8) 0.018(8) -0.026(7) -0.091(9)
 
_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_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Co OW1 2.092(5) . yes
Co N1 2.132(4) 2_656 yes
Co N1 2.132(4) . yes
Co N3 2.159(4) . yes
Co N3 2.159(4) 2_656 yes
Co OW2 2.202(6) . yes
O1 N5 1.206(8) . ?
O2 N5 1.213(8) . ?
O3 N5 1.213(7) . ?
N1 C1 1.330(6) . ?
N1 C7 1.405(6) . ?
N2 C1 1.335(6) . ?
N2 C2 1.382(7) . ?
N2 C8 1.463(6) . ?
N3 C10 1.317(6) . ?
N3 C16 1.397(6) . ?
N4 C10 1.348(6) . ?
N4 C11 1.378(7) . ?
N4 C17 1.486(6) . ?
C2 C3 1.388(8) . ?
C2 C7 1.399(7) . ?
C3 C4 1.376(9) . ?
C4 C5 1.410(9) . ?
C5 C6 1.371(8) . ?
C6 C7 1.408(7) . ?
C8 C9 1.495(8) . ?
C9 C9 1.504(10) 3_677 ?
C11 C16 1.389(7) . ?
C11 C12 1.397(7) . ?
C12 C13 1.356(8) . ?
C13 C14 1.396(8) . ?
C14 C15 1.375(7) . ?
C15 C16 1.401(7) . ?
C17 C18 1.541(8) . ?
C18 C18 1.464(13) 3_777 ?
 
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
OW1 Co N1 92.75(12) . 2_656 yes
OW1 Co N1 92.75(13) . . yes
N1 Co N1 174.5(3) 2_656 . yes
OW1 Co N3 91.34(13) . . yes
N1 Co N3 90.45(15) 2_656 . yes
N1 Co N3 89.42(15) . . yes
OW1 Co N3 91.34(13) . 2_656 yes
N1 Co N3 89.42(15) 2_656 2_656 yes
N1 Co N3 90.45(15) . 2_656 yes
N3 Co N3 177.3(3) . 2_656 yes
OW1 Co OW2 180.000(2) . . yes
N1 Co OW2 87.25(12) 2_656 . yes
N1 Co OW2 87.25(13) . . yes
N3 Co OW2 88.66(13) . . yes
N3 Co OW2 88.66(13) 2_656 . yes
C1 N1 C7 103.7(4) . . ?
C1 N1 Co 123.1(4) . . ?
C7 N1 Co 132.8(3) . . ?
C1 N2 C2 107.6(4) . . ?
C1 N2 C8 125.8(5) . . ?
C2 N2 C8 126.4(5) . . ?
C10 N3 C16 104.4(4) . . ?
C10 N3 Co 123.7(3) . . ?
C16 N3 Co 131.6(3) . . ?
C10 N4 C11 106.7(4) . . ?
C10 N4 C17 127.7(5) . . ?
C11 N4 C17 125.6(4) . . ?
O1 N5 O2 117.0(8) . . ?
O1 N5 O3 121.7(10) . . ?
O2 N5 O3 121.2(9) . . ?
N1 C1 N2 113.9(5) . . ?
N2 C2 C3 132.0(5) . . ?
N2 C2 C7 105.1(5) . . ?
C3 C2 C7 122.9(5) . . ?
C4 C3 C2 116.4(6) . . ?
C3 C4 C5 121.7(6) . . ?
C6 C5 C4 121.8(6) . . ?
C5 C6 C7 117.3(5) . . ?
C2 C7 N1 109.7(5) . . ?
C2 C7 C6 119.9(5) . . ?
N1 C7 C6 130.4(5) . . ?
N2 C8 C9 112.4(4) . . ?
C8 C9 C9 113.2(6) . 3_677 ?
N3 C10 N4 113.6(5) . . ?
N4 C11 C16 105.8(4) . . ?
N4 C11 C12 131.7(5) . . ?
C16 C11 C12 122.4(6) . . ?
C13 C12 C11 116.5(6) . . ?
C12 C13 C14 122.1(5) . . ?
C15 C14 C13 121.8(6) . . ?
C14 C15 C16 117.0(5) . . ?
C11 C16 N3 109.4(5) . . ?
C11 C16 C15 120.2(5) . . ?
N3 C16 C15 130.4(5) . . ?
N4 C17 C18 112.0(5) . . ?
C18 C18 C17 113.4(6) 3_777 . ?
 
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
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
 OW1 Co N1 C1 136.5(4) . . . . ?
 N1 Co N1 C1 -43.5(4) 2_656 . . . ?
 N3 Co N1 C1 45.2(4) . . . . ?
 N3 Co N1 C1 -132.2(4) 2_656 . . . ?
 OW2 Co N1 C1 -43.5(4) . . . . ?
 OW1 Co N1 C7 -34.8(4) . . . . ?
 N1 Co N1 C7 145.2(4) 2_656 . . . ?
 N3 Co N1 C7 -126.2(4) . . . . ?
 N3 Co N1 C7 56.5(4) 2_656 . . . ?
 OW2 Co N1 C7 145.2(4) . . . . ?
 OW1 Co N3 C10 132.4(4) . . . . ?
 N1 Co N3 C10 39.7(4) 2_656 . . . ?
 N1 Co N3 C10 -134.8(4) . . . . ?
 N3 Co N3 C10 -47.6(4) 2_656 . . . ?
 OW2 Co N3 C10 -47.6(4) . . . . ?
 OW1 Co N3 C16 -54.8(4) . . . . ?
 N1 Co N3 C16 -147.5(5) 2_656 . . . ?
 N1 Co N3 C16 37.9(5) . . . . ?
 N3 Co N3 C16 125.2(5) 2_656 . . . ?
 OW2 Co N3 C16 125.2(4) . . . . ?
 C7 N1 C1 N2 0.0(6) . . . . ?
 Co N1 C1 N2 -173.5(3) . . . . ?
 C2 N2 C1 N1 -0.4(6) . . . . ?
 C8 N2 C1 N1 -176.0(5) . . . . ?
 C1 N2 C2 C3 -178.4(6) . . . . ?
 C8 N2 C2 C3 -2.8(9) . . . . ?
 C1 N2 C2 C7 0.7(5) . . . . ?
 C8 N2 C2 C7 176.2(5) . . . . ?
 N2 C2 C3 C4 -178.7(6) . . . . ?
 C7 C2 C3 C4 2.4(8) . . . . ?
 C2 C3 C4 C5 -0.6(9) . . . . ?
 C3 C4 C5 C6 -1.1(10) . . . . ?
 C4 C5 C6 C7 1.0(9) . . . . ?
 N2 C2 C7 N1 -0.7(5) . . . . ?
 C3 C2 C7 N1 178.4(5) . . . . ?
 N2 C2 C7 C6 178.3(5) . . . . ?
 C3 C2 C7 C6 -2.5(8) . . . . ?
 C1 N1 C7 C2 0.5(5) . . . . ?
 Co N1 C7 C2 173.0(3) . . . . ?
 C1 N1 C7 C6 -178.5(6) . . . . ?
 Co N1 C7 C6 -5.9(8) . . . . ?
 C5 C6 C7 C2 0.7(8) . . . . ?
 C5 C6 C7 N1 179.6(5) . . . . ?
 C1 N2 C8 C9 84.9(6) . . . . ?
 C2 N2 C8 C9 -89.9(6) . . . . ?
 N2 C8 C9 C9 -177.8(6) . . . 3_677 ?
 C16 N3 C10 N4 -0.6(6) . . . . ?
 Co N3 C10 N4 173.8(3) . . . . ?
 C11 N4 C10 N3 0.8(6) . . . . ?
 C17 N4 C10 N3 -179.3(5) . . . . ?
 C10 N4 C11 C16 -0.6(6) . . . . ?
 C17 N4 C11 C16 179.5(5) . . . . ?
 C10 N4 C11 C12 178.6(6) . . . . ?
 C17 N4 C11 C12 -1.3(9) . . . . ?
 N4 C11 C12 C13 -179.9(6) . . . . ?
 C16 C11 C12 C13 -0.9(9) . . . . ?
 C11 C12 C13 C14 0.2(9) . . . . ?
 C12 C13 C14 C15 0.5(10) . . . . ?
 C13 C14 C15 C16 -0.5(8) . . . . ?
 N4 C11 C16 N3 0.2(6) . . . . ?
 C12 C11 C16 N3 -179.0(5) . . . . ?
 N4 C11 C16 C15 -179.8(5) . . . . ?
 C12 C11 C16 C15 0.9(8) . . . . ?
 C10 N3 C16 C11 0.2(6) . . . . ?
 Co N3 C16 C11 -173.6(4) . . . . ?
 C10 N3 C16 C15 -179.7(6) . . . . ?
 Co N3 C16 C15 6.5(8) . . . . ?
 C14 C15 C16 C11 -0.2(8) . . . . ?
 C14 C15 C16 N3 179.7(5) . . . . ?
 C10 N4 C17 C18 105.1(6) . . . . ?
 C11 N4 C17 C18 -75.0(7) . . . . ?
 N4 C17 C18 C18 -65.6(10) . . . 3_777 ?
 
_refine_diff_density_max    0.769
_refine_diff_density_min   -0.231
_refine_diff_density_rms    0.073
 
#===END

data_(2)
 
_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C22 H30 Co N4 O7'
_chemical_formula_weight          521.43
_chemical_melting_point           ?
_chemical_compound_source         ?
 
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'
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2(1)/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                    9.603(2)
_cell_length_b                    15.914(3)
_cell_length_c                    15.723(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  97.17(3)
_cell_angle_gamma                 90.00
_cell_volume                      2384.0(8)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     23
_cell_measurement_theta_min       4.99
_cell_measurement_theta_max       10.25
 
_exptl_crystal_description        prism
_exptl_crystal_colour             pink
_exptl_crystal_size_max           0.50
_exptl_crystal_size_mid           0.42
_exptl_crystal_size_min           0.38
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.453
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1092
_exptl_absorpt_coefficient_mu     0.770
_exptl_absorpt_correction_type    psi-scan
_exptl_absorpt_correction_T_min   0.26878
_exptl_absorpt_correction_T_max   0.29644
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'Siemens P4 diffractometer'
_diffrn_measurement_method        \w--2\q
_diffrn_standards_number          3
_diffrn_standards_interval_count  100
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         none
_diffrn_reflns_number             5572
_diffrn_reflns_av_R_equivalents   0.0284
_diffrn_reflns_av_sigmaI/netI     0.0607
_diffrn_reflns_limit_h_min        -1
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -1
_diffrn_reflns_limit_k_max        18
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          1.83
_diffrn_reflns_theta_max          24.99
_reflns_number_total              4192
_reflns_number_observed           2855
_reflns_observed_criterion        >2sigma(I)
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement on F^2^ for ALL reflections except for 0 with very negative
F^2^
 or flagged by the user for potential systematic errors.  Weighted
R-factors
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R

 are based on F, with F set to zero for negative F^2^. The observed
criterion
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and
is
 not relevant to the choice of reflections for refinement.  R-factors based

 on F^2^ are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme
 'calc w=1/[\s^2^(Fo^2^)+(0.0837P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          4192
_refine_ls_number_parameters      307
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0745
_refine_ls_R_factor_obs           0.0488
_refine_ls_wR_factor_all          0.1452
_refine_ls_wR_factor_obs          0.1374
_refine_ls_goodness_of_fit_all    0.999
_refine_ls_goodness_of_fit_obs    1.164
_refine_ls_restrained_S_all       0.999
_refine_ls_restrained_S_obs       1.164
_refine_ls_shift/esd_max          -0.075
_refine_ls_shift/esd_mean         0.010
 
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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
Co Co 0.38944(6) 1.32212(3) 0.38032(3) 0.0276(2) Uani 1 d . .
O1 O 0.3551(3) 1.2342(2) 0.4756(2) 0.0335(7) Uani 1 d . .
O2 O 0.2566(4) 1.1293(2) 0.3962(2) 0.0565(9) Uani 1 d . .
O3 O 0.4247(3) 1.4165(2) 0.2900(2) 0.0362(7) Uani 1 d . .
O4 O 0.5134(3) 1.5272(2) 0.3652(2) 0.0468(8) Uani 1 d . .
N1 N 0.5865(3) 1.2671(2) 0.3605(2) 0.0319(8) Uani 1 d . .
N2 N 1.1901(4) 1.1258(2) -0.0988(2) 0.0340(8) Uani 1 d . .
N3 N 0.7801(4) 1.2462(2) 0.2970(2) 0.0377(8) Uani 1 d . .
N4 N 0.9957(3) 1.1095(2) -0.0352(2) 0.0310(8) Uani 1 d . .
C1 C 0.6515(4) 1.2828(3) 0.2937(3) 0.0353(10) Uani 1 d . .
H1 H 0.6131(4) 1.3161(3) 0.2481(3) 0.080 Uiso 1 calc R .
C2 C 0.6789(4) 1.2151(2) 0.4124(2) 0.0323(9) Uani 1 d . .
C3 C 0.6661(5) 1.1766(3) 0.4907(3) 0.0419(10) Uani 1 d . .
H3 H 0.5877(5) 1.1852(3) 0.5189(3) 0.080 Uiso 1 calc R .
C4 C 0.7748(6) 1.1250(3) 0.5248(3) 0.0549(13) Uani 1 d . .
H4 H 0.7672(6) 1.0969(3) 0.5758(3) 0.080 Uiso 1 calc R .
C5 C 0.8957(5) 1.1137(3) 0.4851(3) 0.0573(14) Uani 1 d . .
H5 H 0.9671(5) 1.0795(3) 0.5112(3) 0.080 Uiso 1 calc R .
C6 C 0.9119(5) 1.1515(3) 0.4095(3) 0.0501(13) Uani 1 d . .
H6 H 0.9926(5) 1.1442(3) 0.3832(3) 0.080 Uiso 1 calc R .
C7 C 0.8004(4) 1.2019(3) 0.3731(3) 0.0354(10) Uani 1 d . .
C8 C 0.8727(5) 1.2474(3) 0.2302(3) 0.0470(12) Uani 1 d . .
H8A H 0.9692(5) 1.2412(3) 0.2563(3) 0.080 Uiso 1 calc R .
H8B H 0.8643(5) 1.3012(3) 0.2010(3) 0.080 Uiso 1 calc R .
C9 C 0.8377(5) 1.1775(3) 0.1654(3) 0.0393(10) Uani 1 d . .
H9A H 0.7452(5) 1.1871(3) 0.1345(3) 0.080 Uiso 1 calc R .
H9B H 0.8361(5) 1.1242(3) 0.1950(3) 0.080 Uiso 1 calc R .
C10 C 0.9459(5) 1.1739(3) 0.1019(3) 0.0404(10) Uani 1 d . .
H10A H 0.9598(5) 1.2298(3) 0.0797(3) 0.080 Uiso 1 calc R .
H10B H 1.0351(5) 1.1544(3) 0.1310(3) 0.080 Uiso 1 calc R .
C11 C 0.8967(4) 1.1151(3) 0.0284(2) 0.0366(10) Uani 1 d . .
H11A H 0.8831(4) 1.0595(3) 0.0512(2) 0.080 Uiso 1 calc R .
H11B H 0.8068(4) 1.1345(3) 0.0004(2) 0.080 Uiso 1 calc R .
C12 C 1.1300(4) 1.1382(3) -0.0288(2) 0.0327(9) Uani 1 d . .
H12 H 1.1752(4) 1.1639(3) 0.0201(2) 0.080 Uiso 1 calc R .
C13 C 1.0868(4) 1.0869(2) -0.1557(2) 0.0306(9) Uani 1 d . .
C14 C 1.0900(5) 1.0598(3) -0.2399(3) 0.0376(10) Uani 1 d . .
H14 H 1.1686(5) 1.0679(3) -0.2679(3) 0.080 Uiso 1 calc R .
C15 C 0.9703(5) 1.0203(3) -0.2798(3) 0.0465(12) Uani 1 d . .
H15 H 0.9695(5) 1.0011(3) -0.3358(3) 0.080 Uiso 1 calc R .
C16 C 0.8519(5) 1.0085(3) -0.2390(3) 0.0492(12) Uani 1 d . .
H16 H 0.7747(5) 0.9811(3) -0.2680(3) 0.080 Uiso 1 calc R .
C17 C 0.8456(5) 1.0362(3) -0.1564(3) 0.0434(11) Uani 1 d . .
H17 H 0.7661(5) 1.0287(3) -0.1290(3) 0.080 Uiso 1 calc R .
C18 C 0.9651(4) 1.0760(2) -0.1167(2) 0.0304(9) Uani 1 d . .
C19 C 0.3032(5) 1.1614(3) 0.4659(3) 0.0401(11) Uani 1 d . .
C20 C 0.2980(7) 1.1115(4) 0.5466(3) 0.082(2) Uani 1 d . .
H20A H 0.3373(7) 1.1441(4) 0.5951(3) 0.080 Uiso 1 calc R .
H20B H 0.3510(7) 1.0606(4) 0.5438(3) 0.080 Uiso 1 calc R .
H20C H 0.2023(7) 1.0978(4) 0.5524(3) 0.080 Uiso 1 calc R .
C21 C 0.4618(4) 1.4921(3) 0.2965(2) 0.0327(9) Uani 1 d . .
C22 C 0.4455(5) 1.5444(3) 0.2158(3) 0.0483(12) Uani 1 d . .
H22A H 0.4053(5) 1.5106(3) 0.1684(3) 0.080 Uiso 1 calc R .
H22B H 0.5359(5) 1.5645(3) 0.2049(3) 0.080 Uiso 1 calc R .
H22C H 0.3851(5) 1.5913(3) 0.2228(3) 0.080 Uiso 1 calc R .
OW1 O 0.2788(3) 1.2491(2) 0.2820(2) 0.0402(7) Uani 1 d . .
OW2 O 0.5119(3) 1.3987(2) 0.4747(2) 0.0394(7) Uani 1 d . .
OW3 O 0.4040(5) 1.1992(2) 0.1411(2) 0.0677(11) Uani 1 d . .
 
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Co 0.0317(3) 0.0283(3) 0.0239(3) -0.0003(2) 0.0081(2) 0.0015(3)
O1 0.040(2) 0.0314(15) 0.0300(14) 0.0023(12) 0.0071(13) -0.0004(13)
O2 0.069(2) 0.051(2) 0.050(2) -0.009(2) 0.006(2) -0.022(2)
O3 0.046(2) 0.032(2) 0.0313(14) 0.0037(12) 0.0089(13) -0.0010(14)
O4 0.072(2) 0.038(2) 0.032(2) -0.0025(14) 0.011(2) -0.007(2)
N1 0.034(2) 0.032(2) 0.030(2) -0.0041(14) 0.009(2) 0.002(2)
N2 0.035(2) 0.040(2) 0.029(2) -0.0047(15) 0.0087(15) -0.006(2)
N3 0.037(2) 0.035(2) 0.044(2) -0.008(2) 0.018(2) 0.000(2)
N4 0.031(2) 0.033(2) 0.030(2) 0.0009(15) 0.0098(15) -0.001(2)
C1 0.039(2) 0.032(2) 0.038(2) -0.005(2) 0.013(2) 0.001(2)
C2 0.034(2) 0.031(2) 0.032(2) -0.010(2) 0.004(2) 0.000(2)
C3 0.041(2) 0.048(3) 0.035(2) -0.005(2) 0.000(2) 0.001(2)
C4 0.061(3) 0.055(3) 0.046(3) 0.006(2) -0.003(2) 0.011(3)
C5 0.051(3) 0.056(3) 0.062(3) -0.003(3) -0.009(3) 0.019(3)
C6 0.033(3) 0.050(3) 0.066(3) -0.019(3) 0.002(2) 0.007(2)
C7 0.030(2) 0.035(2) 0.041(2) -0.015(2) 0.004(2) -0.002(2)
C8 0.044(3) 0.045(3) 0.057(3) -0.008(2) 0.026(2) -0.004(2)
C9 0.041(2) 0.038(2) 0.043(2) -0.004(2) 0.021(2) 0.000(2)
C10 0.043(2) 0.041(2) 0.041(2) -0.003(2) 0.023(2) -0.001(2)
C11 0.034(2) 0.039(2) 0.040(2) 0.003(2) 0.015(2) 0.001(2)
C12 0.031(2) 0.041(2) 0.028(2) -0.002(2) 0.009(2) -0.007(2)
C13 0.034(2) 0.029(2) 0.029(2) 0.001(2) 0.004(2) 0.002(2)
C14 0.042(2) 0.038(2) 0.032(2) -0.002(2) 0.004(2) 0.006(2)
C15 0.055(3) 0.044(3) 0.038(2) -0.011(2) -0.006(2) 0.011(2)
C16 0.043(3) 0.043(3) 0.058(3) -0.011(2) -0.010(2) 0.000(2)
C17 0.035(2) 0.042(2) 0.052(3) 0.000(2) 0.002(2) -0.003(2)
C18 0.032(2) 0.026(2) 0.033(2) 0.000(2) 0.004(2) 0.000(2)
C19 0.036(2) 0.036(2) 0.049(3) 0.006(2) 0.005(2) -0.004(2)
C20 0.114(5) 0.062(3) 0.063(3) 0.027(3) -0.017(4) -0.040(4)
C21 0.033(2) 0.032(2) 0.035(2) 0.004(2) 0.012(2) 0.004(2)
C22 0.061(3) 0.039(2) 0.043(3) 0.012(2) -0.001(2) -0.008(2)
OW1 0.040(2) 0.044(2) 0.036(2) -0.0100(13) 0.0047(13) 0.0009(15)
OW2 0.052(2) 0.035(2) 0.0321(15) -0.0054(13) 0.0094(14) -0.0045(15)
OW3 0.113(3) 0.059(2) 0.033(2) -0.005(2) 0.018(2) 0.027(2)
 
_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_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Co O1 2.106(3) . yes
Co OW1 2.112(3) . yes
Co O3 2.122(3) . yes
Co N1 2.143(3) . yes
Co N2 2.148(3) 4_486 yes
Co OW2 2.153(3) . yes
O1 C19 1.262(5) . ?
O2 C19 1.241(5) . ?
O3 C21 1.256(5) . ?
O4 C21 1.260(5) . ?
N1 C1 1.311(5) . ?
N1 C2 1.400(5) . ?
N2 C12 1.320(5) . ?
N2 C13 1.396(5) . ?
N2 Co 2.148(3) 4_685 ?
N3 C1 1.361(5) . ?
N3 C7 1.381(5) . ?
N3 C8 1.458(5) . ?
N4 C12 1.360(5) . ?
N4 C18 1.386(5) . ?
N4 C11 1.466(5) . ?
C2 C3 1.395(6) . ?
C2 C7 1.402(5) . ?
C3 C4 1.382(6) . ?
C4 C5 1.396(7) . ?
C5 C6 1.359(7) . ?
C6 C7 1.402(6) . ?
C8 C9 1.518(6) . ?
C9 C10 1.529(5) . ?
C10 C11 1.516(6) . ?
C13 C18 1.396(5) . ?
C13 C14 1.395(5) . ?
C14 C15 1.390(6) . ?
C15 C16 1.386(7) . ?
C16 C17 1.379(6) . ?
C17 C18 1.389(6) . ?
C19 C20 1.503(6) . ?
C21 C22 1.509(5) . ?
 
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
O1 Co OW1 92.64(11) . . yes
O1 Co O3 176.54(10) . . yes
OW1 Co O3 90.43(11) . . yes
O1 Co N1 92.96(12) . . yes
OW1 Co N1 92.37(12) . . yes
O3 Co N1 88.50(12) . . yes
O1 Co N2 85.76(12) . 4_486 yes
OW1 Co N2 87.01(12) . 4_486 yes
O3 Co N2 92.82(12) . 4_486 yes
N1 Co N2 178.54(13) . 4_486 yes
O1 Co OW2 90.36(11) . . yes
OW1 Co OW2 176.19(11) . . yes
O3 Co OW2 86.64(11) . . yes
N1 Co OW2 85.13(12) . . yes
N2 Co OW2 95.56(12) 4_486 . yes
C19 O1 Co 128.1(3) . . ?
C21 O3 Co 133.7(3) . . ?
C1 N1 C2 104.5(3) . . ?
C1 N1 Co 123.8(3) . . ?
C2 N1 Co 131.6(3) . . ?
C12 N2 C13 104.6(3) . . ?
C12 N2 Co 124.1(3) . 4_685 ?
C13 N2 Co 130.5(2) . 4_685 ?
C1 N3 C7 106.3(3) . . ?
C1 N3 C8 126.8(4) . . ?
C7 N3 C8 126.7(4) . . ?
C12 N4 C18 106.7(3) . . ?
C12 N4 C11 128.3(3) . . ?
C18 N4 C11 125.0(3) . . ?
N1 C1 N3 114.1(4) . . ?
C3 C2 N1 131.0(4) . . ?
C3 C2 C7 119.6(4) . . ?
N1 C2 C7 109.5(4) . . ?
C4 C3 C2 117.2(4) . . ?
C3 C4 C5 122.2(5) . . ?
C6 C5 C4 121.8(5) . . ?
C5 C6 C7 116.5(4) . . ?
N3 C7 C2 105.7(4) . . ?
N3 C7 C6 131.6(4) . . ?
C2 C7 C6 122.7(4) . . ?
N3 C8 C9 111.7(4) . . ?
C8 C9 C10 110.8(4) . . ?
C11 C10 C9 110.3(4) . . ?
N4 C11 C10 112.9(3) . . ?
N2 C12 N4 113.4(3) . . ?
C18 C13 C14 119.8(4) . . ?
C18 C13 N2 109.9(3) . . ?
C14 C13 N2 130.3(4) . . ?
C15 C14 C13 117.0(4) . . ?
C14 C15 C16 122.1(4) . . ?
C17 C16 C15 121.8(4) . . ?
C16 C17 C18 116.0(4) . . ?
N4 C18 C17 131.2(4) . . ?
N4 C18 C13 105.4(3) . . ?
C17 C18 C13 123.3(4) . . ?
O2 C19 O1 125.3(4) . . ?
O2 C19 C20 118.8(4) . . ?
O1 C19 C20 115.9(4) . . ?
O4 C21 O3 124.9(4) . . ?
O4 C21 C22 117.6(4) . . ?
O3 C21 C22 117.5(4) . . ?
 
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
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
 OW1 Co O1 C19 8.4(3) . . . . ?
 O3 Co O1 C19 161.0(18) . . . . ?
 N1 Co O1 C19 -84.1(3) . . . . ?
 N2 Co O1 C19 95.2(3) 4_486 . . . ?
 OW2 Co O1 C19 -169.2(3) . . . . ?
 O1 Co O3 C21 11.1(21) . . . . ?
 OW1 Co O3 C21 163.7(4) . . . . ?
 N1 Co O3 C21 -104.0(4) . . . . ?
 N2 Co O3 C21 76.6(4) 4_486 . . . ?
 OW2 Co O3 C21 -18.8(4) . . . . ?
 O1 Co N1 C1 164.6(3) . . . . ?
 OW1 Co N1 C1 71.9(3) . . . . ?
 O3 Co N1 C1 -18.5(3) . . . . ?
 N2 Co N1 C1 136.5(46) 4_486 . . . ?
 OW2 Co N1 C1 -105.3(3) . . . . ?
 O1 Co N1 C2 -20.7(3) . . . . ?
 OW1 Co N1 C2 -113.5(3) . . . . ?
 O3 Co N1 C2 156.2(3) . . . . ?
 N2 Co N1 C2 -48.8(48) 4_486 . . . ?
 OW2 Co N1 C2 69.4(3) . . . . ?
 C2 N1 C1 N3 -0.5(5) . . . . ?
 Co N1 C1 N3 175.4(2) . . . . ?
 C7 N3 C1 N1 0.4(5) . . . . ?
 C8 N3 C1 N1 175.6(4) . . . . ?
 C1 N1 C2 C3 -178.3(4) . . . . ?
 Co N1 C2 C3 6.2(6) . . . . ?
 C1 N1 C2 C7 0.5(4) . . . . ?
 Co N1 C2 C7 -175.0(3) . . . . ?
 N1 C2 C3 C4 177.2(4) . . . . ?
 C7 C2 C3 C4 -1.5(6) . . . . ?
 C2 C3 C4 C5 2.5(7) . . . . ?
 C3 C4 C5 C6 -1.6(8) . . . . ?
 C4 C5 C6 C7 -0.3(7) . . . . ?
 C1 N3 C7 C2 -0.1(4) . . . . ?
 C8 N3 C7 C2 -175.3(4) . . . . ?
 C1 N3 C7 C6 178.9(4) . . . . ?
 C8 N3 C7 C6 3.7(7) . . . . ?
 C3 C2 C7 N3 178.7(4) . . . . ?
 N1 C2 C7 N3 -0.2(4) . . . . ?
 C3 C2 C7 C6 -0.4(6) . . . . ?
 N1 C2 C7 C6 -179.3(4) . . . . ?
 C5 C6 C7 N3 -177.5(4) . . . . ?
 C5 C6 C7 C2 1.3(7) . . . . ?
 C1 N3 C8 C9 -85.6(5) . . . . ?
 C7 N3 C8 C9 88.6(5) . . . . ?
 N3 C8 C9 C10 -173.7(4) . . . . ?
 C8 C9 C10 C11 -169.8(4) . . . . ?
 C12 N4 C11 C10 11.8(6) . . . . ?
 C18 N4 C11 C10 -165.1(4) . . . . ?
 C9 C10 C11 N4 179.5(3) . . . . ?
 C13 N2 C12 N4 0.6(5) . . . . ?
 Co N2 C12 N4 170.8(3) 4_685 . . . ?
 C18 N4 C12 N2 -0.4(5) . . . . ?
 C11 N4 C12 N2 -177.8(4) . . . . ?
 C12 N2 C13 C18 -0.6(4) . . . . ?
 Co N2 C13 C18 -169.9(3) 4_685 . . . ?
 C12 N2 C13 C14 179.3(4) . . . . ?
 Co N2 C13 C14 10.0(6) 4_685 . . . ?
 C18 C13 C14 C15 -2.0(6) . . . . ?
 N2 C13 C14 C15 178.1(4) . . . . ?
 C13 C14 C15 C16 0.5(7) . . . . ?
 C14 C15 C16 C17 0.7(7) . . . . ?
 C15 C16 C17 C18 -0.4(7) . . . . ?
 C12 N4 C18 C17 177.8(4) . . . . ?
 C11 N4 C18 C17 -4.7(7) . . . . ?
 C12 N4 C18 C13 0.0(4) . . . . ?
 C11 N4 C18 C13 177.5(4) . . . . ?
 C16 C17 C18 N4 -178.6(4) . . . . ?
 C16 C17 C18 C13 -1.1(6) . . . . ?
 C14 C13 C18 N4 -179.6(4) . . . . ?
 N2 C13 C18 N4 0.4(4) . . . . ?
 C14 C13 C18 C17 2.4(6) . . . . ?
 N2 C13 C18 C17 -177.7(4) . . . . ?
 Co O1 C19 O2 -3.1(7) . . . . ?
 Co O1 C19 C20 177.3(4) . . . . ?
 Co O3 C21 O4 13.9(7) . . . . ?
 Co O3 C21 C22 -167.1(3) . . . . ?
 
_refine_diff_density_max    0.851
_refine_diff_density_min   -0.587
_refine_diff_density_rms    0.273

#===END