# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014



data_global
_journal_name_full               Polyhedron
_journal_coden_cambridge         0580
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       mnstd@yahoo.com
_publ_contact_author_name        'Mojtaba Nasr-Esfahani'
loop_
_publ_author_name
'Najafabad Branch'
'Islamic Azad'


data_kh675h
#TrackingRef '18364_web_deposit_cif_file_0_MojtabaNasr-Esfahani_1362667246.kh675h.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H34 Co N4 O6, Cl'
_chemical_formula_sum            'C24 H34 Cl Co N4 O6'
_chemical_formula_weight         568.93

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'
Cl Cl 0.1484 0.1585 '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   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   10.045(2)
_cell_length_b                   25.202(5)
_cell_length_c                   11.186(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.18(3)
_cell_angle_gamma                90.00
_cell_volume                     2583.3(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    6938
_cell_measurement_theta_min      1.62
_cell_measurement_theta_max      29.19

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8223
_exptl_absorpt_correction_T_max  0.9086
_exptl_absorpt_process_details   'shape of crystal determined optically'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19907
_diffrn_reflns_av_R_equivalents  0.1087
_diffrn_reflns_av_sigmaI/netI    0.1180
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         29.19
_reflns_number_total             6938
_reflns_number_gt                3660
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_cell_refinement       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area (Stoe & Cie GmbH, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0453P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6938
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1449
_refine_ls_R_factor_gt           0.0658
_refine_ls_wR_factor_ref         0.1284
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_restrained_S_all      0.956
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_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_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
Co1 Co 0.84804(5) 0.863796(18) 0.15398(4) 0.03300(13) Uani 1 1 d . . .
Cl1 Cl 0.75460(14) 1.01292(5) 0.29102(14) 0.0781(4) Uani 1 1 d . . .
O1 O 0.7294(3) 0.81231(9) 0.0347(2) 0.0389(6) Uani 1 1 d . . .
O2 O 0.5828(4) 0.61382(11) 0.1562(3) 0.0673(9) Uani 1 1 d . . .
O3 O 1.0670(5) 1.03611(15) 0.2972(4) 0.1001(13) Uani 1 1 d . . .
O4 O 1.0179(3) 0.82532(10) 0.1788(2) 0.0442(6) Uani 1 1 d . . .
O5 O 1.3132(3) 0.80610(11) -0.1394(3) 0.0520(7) Uani 1 1 d . . .
O6 O 0.4634(5) 0.94981(17) 0.2472(4) 0.0847(12) Uani 1 1 d . . .
N1 N 0.8466(3) 0.90185(11) 0.0063(3) 0.0349(7) Uani 1 1 d . . .
N2 N 0.8519(3) 0.82771(11) 0.3048(3) 0.0383(7) Uani 1 1 d . . .
N3 N 0.9761(4) 0.91749(13) 0.2841(3) 0.0418(7) Uani 1 1 d . . .
N4 N 0.6651(3) 0.90475(13) 0.1226(3) 0.0371(7) Uani 1 1 d . . .
C1 C 0.6953(4) 0.76521(13) 0.0680(3) 0.0335(8) Uani 1 1 d . . .
C2 C 0.6053(4) 0.73156(14) -0.0328(3) 0.0405(9) Uani 1 1 d . . .
H2 H 0.5703 0.7433 -0.1191 0.049 Uiso 1 1 calc R . .
C3 C 0.5673(4) 0.68150(15) -0.0073(4) 0.0451(9) Uani 1 1 d . . .
H3 H 0.5089 0.6599 -0.0763 0.054 Uiso 1 1 calc R . .
C4 C 0.6156(5) 0.66323(14) 0.1203(4) 0.0447(9) Uani 1 1 d . . .
C5 C 0.4931(6) 0.58024(18) 0.0594(5) 0.0792(16) Uani 1 1 d . . .
H5A H 0.4021 0.5977 0.0098 0.119 Uiso 1 1 calc R . .
H5B H 0.4754 0.5487 0.0987 0.119 Uiso 1 1 calc R . .
H5C H 0.5394 0.5709 0.0024 0.119 Uiso 1 1 calc R . .
C6 C 0.6983(4) 0.69542(14) 0.2206(4) 0.0435(9) Uani 1 1 d . . .
H6 H 0.7278 0.6836 0.3064 0.052 Uiso 1 1 calc R . .
C7 C 0.7403(4) 0.74651(14) 0.1973(3) 0.0366(8) Uani 1 1 d . . .
C8 C 0.8177(4) 0.77882(14) 0.3091(3) 0.0385(8) Uani 1 1 d . . .
H8 H 0.8454 0.7634 0.3913 0.046 Uiso 1 1 calc R . .
C9 C 0.9187(5) 0.85909(18) 0.4254(3) 0.0548(11) Uani 1 1 d . . .
H9A H 0.9588 0.8359 0.5010 0.066 Uiso 1 1 calc R . .
H9B H 0.8464 0.8819 0.4357 0.066 Uiso 1 1 calc R . .
C10 C 1.0364(5) 0.89147(17) 0.4136(4) 0.0560(11) Uani 1 1 d . . .
H10A H 1.0707 0.9180 0.4825 0.067 Uiso 1 1 calc R . .
H10B H 1.1181 0.8690 0.4218 0.067 Uiso 1 1 calc R . .
C11 C 1.0962(5) 0.94296(18) 0.2570(4) 0.0576(11) Uani 1 1 d . . .
H11A H 1.0584 0.9522 0.1649 0.069 Uiso 1 1 calc R . .
H11B H 1.1736 0.9172 0.2740 0.069 Uiso 1 1 calc R . .
C12 C 1.1604(5) 0.99213(19) 0.3372(5) 0.0671(13) Uani 1 1 d . . .
H12A H 1.1828 0.9847 0.4285 0.080 Uiso 1 1 calc R . .
H12B H 1.2512 1.0008 0.3305 0.080 Uiso 1 1 calc R . .
C13 C 1.0772(4) 0.82187(14) 0.0937(4) 0.0397(8) Uani 1 1 d . . .
C14 C 1.1938(4) 0.78572(15) 0.1217(4) 0.0489(10) Uani 1 1 d . . .
H14 H 1.2221 0.7645 0.1961 0.059 Uiso 1 1 calc R . .
C15 C 1.2658(5) 0.78131(15) 0.0415(4) 0.0501(10) Uani 1 1 d . . .
H15 H 1.3425 0.7574 0.0625 0.060 Uiso 1 1 calc R . .
C16 C 1.2258(4) 0.81227(15) -0.0717(4) 0.0426(9) Uani 1 1 d . . .
C17 C 1.2883(5) 0.84124(18) -0.2444(4) 0.0590(11) Uani 1 1 d . . .
H17A H 1.1951 0.8337 -0.3141 0.088 Uiso 1 1 calc R . .
H17B H 1.3635 0.8369 -0.2756 0.088 Uiso 1 1 calc R . .
H17C H 1.2891 0.8771 -0.2151 0.088 Uiso 1 1 calc R . .
C18 C 1.1128(4) 0.84700(14) -0.1033(3) 0.0401(8) Uani 1 1 d . . .
H18 H 1.0855 0.8674 -0.1788 0.048 Uiso 1 1 calc R . .
C19 C 1.0366(4) 0.85230(13) -0.0223(3) 0.0362(8) Uani 1 1 d . . .
C20 C 0.9233(4) 0.89149(13) -0.0578(3) 0.0381(8) Uani 1 1 d . . .
H20 H 0.9043 0.9109 -0.1337 0.046 Uiso 1 1 calc R . .
C21 C 0.7377(4) 0.94396(15) -0.0375(4) 0.0456(9) Uani 1 1 d . . .
H21A H 0.7098 0.9515 -0.1297 0.055 Uiso 1 1 calc R . .
H21B H 0.7760 0.9762 0.0122 0.055 Uiso 1 1 calc R . .
C22 C 0.6090(4) 0.92415(16) -0.0150(4) 0.0468(9) Uani 1 1 d . . .
H22A H 0.5391 0.9526 -0.0285 0.056 Uiso 1 1 calc R . .
H22B H 0.5610 0.8956 -0.0755 0.056 Uiso 1 1 calc R . .
C23 C 0.5501(4) 0.87780(15) 0.1507(4) 0.0472(9) Uani 1 1 d . . .
H23A H 0.5947 0.8622 0.2375 0.057 Uiso 1 1 calc R . .
H23B H 0.5105 0.8490 0.0886 0.057 Uiso 1 1 calc R . .
C24 C 0.4256(4) 0.91298(18) 0.1446(4) 0.0557(11) Uani 1 1 d . . .
H24A H 0.3886 0.9321 0.0621 0.067 Uiso 1 1 calc R . .
H24B H 0.3473 0.8907 0.1458 0.067 Uiso 1 1 calc R . .
H3A H 0.909(5) 0.9408(17) 0.289(4) 0.065(14) Uiso 1 1 d . . .
H4A H 0.693(4) 0.9308(14) 0.169(3) 0.029(10) Uiso 1 1 d . . .
H6A H 0.535(6) 0.967(2) 0.261(5) 0.09(2) Uiso 1 1 d . . .
H3B H 0.972(8) 1.031(3) 0.300(6) 0.13(3) Uiso 1 1 d . . .


_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
Co1 O4 1.881(2) . ?
Co1 O1 1.892(2) . ?
Co1 N2 1.903(3) . ?
Co1 N1 1.905(3) . ?
Co1 N4 2.009(3) . ?
Co1 N3 2.017(3) . ?
O1 C1 1.331(4) . ?
O2 C5 1.379(5) . ?
O2 C4 1.389(4) . ?
O3 C12 1.401(6) . ?
O3 H3B 0.97(7) . ?
O4 C13 1.317(4) . ?
O5 C16 1.383(4) . ?
O5 C17 1.409(5) . ?
O6 C24 1.402(5) . ?
O6 H6A 0.80(6) . ?
N1 C20 1.276(4) . ?
N1 C21 1.457(4) . ?
N2 C8 1.285(4) . ?
N2 C9 1.467(4) . ?
N3 C10 1.476(5) . ?
N3 C11 1.503(5) . ?
N3 H3A 0.91(5) . ?
N4 C23 1.481(5) . ?
N4 C22 1.489(5) . ?
N4 H4A 0.81(3) . ?
C1 C2 1.404(5) . ?
C1 C7 1.407(4) . ?
C2 C3 1.381(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(5) . ?
C3 H3 0.9300 . ?
C4 C6 1.357(5) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.412(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.427(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.487(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.511(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.414(5) . ?
C13 C19 1.416(5) . ?
C14 C15 1.368(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.399(5) . ?
C15 H15 0.9300 . ?
C16 C18 1.361(5) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.411(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.434(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.500(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.511(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?

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
O4 Co1 O1 91.25(11) . . ?
O4 Co1 N2 86.28(12) . . ?
O1 Co1 N2 94.34(11) . . ?
O4 Co1 N1 94.12(11) . . ?
O1 Co1 N1 87.41(11) . . ?
N2 Co1 N1 178.20(13) . . ?
O4 Co1 N4 178.57(12) . . ?
O1 Co1 N4 87.84(12) . . ?
N2 Co1 N4 94.89(13) . . ?
N1 Co1 N4 84.74(12) . . ?
O4 Co1 N3 88.15(13) . . ?
O1 Co1 N3 178.79(12) . . ?
N2 Co1 N3 84.58(12) . . ?
N1 Co1 N3 93.68(12) . . ?
N4 Co1 N3 92.78(14) . . ?
C1 O1 Co1 125.1(2) . . ?
C5 O2 C4 118.6(3) . . ?
C12 O3 H3B 115(4) . . ?
C13 O4 Co1 125.3(2) . . ?
C16 O5 C17 116.7(3) . . ?
C24 O6 H6A 116(4) . . ?
C20 N1 C21 120.2(3) . . ?
C20 N1 Co1 126.3(2) . . ?
C21 N1 Co1 113.3(2) . . ?
C8 N2 C9 120.7(3) . . ?
C8 N2 Co1 125.6(3) . . ?
C9 N2 Co1 113.1(2) . . ?
C10 N3 C11 110.3(3) . . ?
C10 N3 Co1 107.1(2) . . ?
C11 N3 Co1 117.9(2) . . ?
C10 N3 H3A 104(3) . . ?
C11 N3 H3A 114(3) . . ?
Co1 N3 H3A 102(3) . . ?
C23 N4 C22 111.9(3) . . ?
C23 N4 Co1 117.7(2) . . ?
C22 N4 Co1 106.4(2) . . ?
C23 N4 H4A 109(3) . . ?
C22 N4 H4A 106(2) . . ?
Co1 N4 H4A 105(2) . . ?
O1 C1 C2 118.0(3) . . ?
O1 C1 C7 125.1(3) . . ?
C2 C1 C7 116.9(3) . . ?
C3 C2 C1 121.8(3) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 120.4(4) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C6 C4 C3 119.4(3) . . ?
C6 C4 O2 115.7(3) . . ?
C3 C4 O2 124.9(3) . . ?
O2 C5 H5A 109.5 . . ?
O2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
O2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 C7 121.3(3) . . ?
C4 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C1 C7 C6 120.0(3) . . ?
C1 C7 C8 122.7(3) . . ?
C6 C7 C8 117.1(3) . . ?
N2 C8 C7 124.9(3) . . ?
N2 C8 H8 117.6 . . ?
C7 C8 H8 117.5 . . ?
N2 C9 C10 107.2(3) . . ?
N2 C9 H9A 110.3 . . ?
C10 C9 H9A 110.3 . . ?
N2 C9 H9B 110.3 . . ?
C10 C9 H9B 110.3 . . ?
H9A C9 H9B 108.5 . . ?
N3 C10 C9 108.0(3) . . ?
N3 C10 H10A 110.1 . . ?
C9 C10 H10A 110.1 . . ?
N3 C10 H10B 110.1 . . ?
C9 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
N3 C11 C12 114.4(4) . . ?
N3 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
N3 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
O3 C12 C11 113.1(4) . . ?
O3 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
O3 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
O4 C13 C14 117.4(3) . . ?
O4 C13 C19 125.6(3) . . ?
C14 C13 C19 117.0(3) . . ?
C15 C14 C13 121.3(4) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 121.0(4) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C18 C16 O5 125.5(3) . . ?
C18 C16 C15 119.5(4) . . ?
O5 C16 C15 114.9(3) . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 C19 120.6(3) . . ?
C16 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C13 120.6(3) . . ?
C18 C19 C20 117.7(3) . . ?
C13 C19 C20 121.6(3) . . ?
N1 C20 C19 125.4(3) . . ?
N1 C20 H20 117.3 . . ?
C19 C20 H20 117.3 . . ?
N1 C21 C22 106.3(3) . . ?
N1 C21 H21A 110.5 . . ?
C22 C21 H21A 110.5 . . ?
N1 C21 H21B 110.5 . . ?
C22 C21 H21B 110.5 . . ?
H21A C21 H21B 108.7 . . ?
N4 C22 C21 107.2(3) . . ?
N4 C22 H22A 110.3 . . ?
C21 C22 H22A 110.3 . . ?
N4 C22 H22B 110.3 . . ?
C21 C22 H22B 110.3 . . ?
H22A C22 H22B 108.5 . . ?
N4 C23 C24 115.1(3) . . ?
N4 C23 H23A 108.5 . . ?
C24 C23 H23A 108.5 . . ?
N4 C23 H23B 108.5 . . ?
C24 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
O6 C24 C23 114.2(4) . . ?
O6 C24 H24A 108.7 . . ?
C23 C24 H24A 108.7 . . ?
O6 C24 H24B 108.7 . . ?
C23 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?

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
O4 Co1 O1 C1 76.5(3) . . . . ?
N2 Co1 O1 C1 -9.9(3) . . . . ?
N1 Co1 O1 C1 170.5(3) . . . . ?
N4 Co1 O1 C1 -104.7(3) . . . . ?
N3 Co1 O1 C1 16(7) . . . . ?
O1 Co1 O4 C13 73.8(3) . . . . ?
N2 Co1 O4 C13 168.1(3) . . . . ?
N1 Co1 O4 C13 -13.7(3) . . . . ?
N4 Co1 O4 C13 23(5) . . . . ?
N3 Co1 O4 C13 -107.2(3) . . . . ?
O4 Co1 N1 C20 12.4(3) . . . . ?
O1 Co1 N1 C20 -78.6(3) . . . . ?
N2 Co1 N1 C20 115(4) . . . . ?
N4 Co1 N1 C20 -166.7(3) . . . . ?
N3 Co1 N1 C20 100.8(3) . . . . ?
O4 Co1 N1 C21 -172.0(2) . . . . ?
O1 Co1 N1 C21 97.0(2) . . . . ?
N2 Co1 N1 C21 -69(4) . . . . ?
N4 Co1 N1 C21 8.9(2) . . . . ?
N3 Co1 N1 C21 -83.6(3) . . . . ?
O4 Co1 N2 C8 -74.1(3) . . . . ?
O1 Co1 N2 C8 16.8(3) . . . . ?
N1 Co1 N2 C8 -177(75) . . . . ?
N4 Co1 N2 C8 105.0(3) . . . . ?
N3 Co1 N2 C8 -162.6(3) . . . . ?
O4 Co1 N2 C9 97.6(3) . . . . ?
O1 Co1 N2 C9 -171.4(3) . . . . ?
N1 Co1 N2 C9 -5(4) . . . . ?
N4 Co1 N2 C9 -83.2(3) . . . . ?
N3 Co1 N2 C9 9.1(3) . . . . ?
O4 Co1 N3 C10 -68.7(3) . . . . ?
O1 Co1 N3 C10 -8(7) . . . . ?
N2 Co1 N3 C10 17.8(3) . . . . ?
N1 Co1 N3 C10 -162.7(3) . . . . ?
N4 Co1 N3 C10 112.4(3) . . . . ?
O4 Co1 N3 C11 56.4(3) . . . . ?
O1 Co1 N3 C11 117(6) . . . . ?
N2 Co1 N3 C11 142.8(3) . . . . ?
N1 Co1 N3 C11 -37.7(3) . . . . ?
N4 Co1 N3 C11 -122.6(3) . . . . ?
O4 Co1 N4 C23 109(5) . . . . ?
O1 Co1 N4 C23 58.1(3) . . . . ?
N2 Co1 N4 C23 -36.1(3) . . . . ?
N1 Co1 N4 C23 145.7(3) . . . . ?
N3 Co1 N4 C23 -120.9(3) . . . . ?
O4 Co1 N4 C22 -18(5) . . . . ?
O1 Co1 N4 C22 -68.2(2) . . . . ?
N2 Co1 N4 C22 -162.4(2) . . . . ?
N1 Co1 N4 C22 19.4(2) . . . . ?
N3 Co1 N4 C22 112.8(2) . . . . ?
Co1 O1 C1 C2 179.8(2) . . . . ?
Co1 O1 C1 C7 0.9(5) . . . . ?
O1 C1 C2 C3 178.4(3) . . . . ?
C7 C1 C2 C3 -2.6(5) . . . . ?
C1 C2 C3 C4 1.1(6) . . . . ?
C2 C3 C4 C6 1.4(6) . . . . ?
C2 C3 C4 O2 179.5(4) . . . . ?
C5 O2 C4 C6 176.8(4) . . . . ?
C5 O2 C4 C3 -1.4(6) . . . . ?
C3 C4 C6 C7 -2.3(6) . . . . ?
O2 C4 C6 C7 179.5(4) . . . . ?
O1 C1 C7 C6 -179.4(3) . . . . ?
C2 C1 C7 C6 1.7(5) . . . . ?
O1 C1 C7 C8 6.2(5) . . . . ?
C2 C1 C7 C8 -172.7(3) . . . . ?
C4 C6 C7 C1 0.7(6) . . . . ?
C4 C6 C7 C8 175.4(4) . . . . ?
C9 N2 C8 C7 173.9(4) . . . . ?
Co1 N2 C8 C7 -14.9(5) . . . . ?
C1 C7 C8 N2 1.3(6) . . . . ?
C6 C7 C8 N2 -173.3(4) . . . . ?
C8 N2 C9 C10 138.3(4) . . . . ?
Co1 N2 C9 C10 -33.9(4) . . . . ?
C11 N3 C10 C9 -170.1(4) . . . . ?
Co1 N3 C10 C9 -40.6(4) . . . . ?
N2 C9 C10 N3 48.4(5) . . . . ?
C10 N3 C11 C12 -71.9(5) . . . . ?
Co1 N3 C11 C12 164.7(3) . . . . ?
N3 C11 C12 O3 -72.8(5) . . . . ?
Co1 O4 C13 C14 -172.0(3) . . . . ?
Co1 O4 C13 C19 9.7(5) . . . . ?
O4 C13 C14 C15 -177.1(4) . . . . ?
C19 C13 C14 C15 1.3(6) . . . . ?
C13 C14 C15 C16 -0.4(6) . . . . ?
C17 O5 C16 C18 4.3(5) . . . . ?
C17 O5 C16 C15 -172.3(3) . . . . ?
C14 C15 C16 C18 -0.6(6) . . . . ?
C14 C15 C16 O5 176.3(4) . . . . ?
O5 C16 C18 C19 -176.0(3) . . . . ?
C15 C16 C18 C19 0.5(6) . . . . ?
C16 C18 C19 C13 0.5(5) . . . . ?
C16 C18 C19 C20 177.0(3) . . . . ?
O4 C13 C19 C18 176.9(3) . . . . ?
C14 C13 C19 C18 -1.4(5) . . . . ?
O4 C13 C19 C20 0.6(5) . . . . ?
C14 C13 C19 C20 -177.7(3) . . . . ?
C21 N1 C20 C19 177.9(3) . . . . ?
Co1 N1 C20 C19 -6.8(5) . . . . ?
C18 C19 C20 N1 -178.6(3) . . . . ?
C13 C19 C20 N1 -2.1(6) . . . . ?
C20 N1 C21 C22 141.0(3) . . . . ?
Co1 N1 C21 C22 -34.8(3) . . . . ?
C23 N4 C22 C21 -172.6(3) . . . . ?
Co1 N4 C22 C21 -42.9(3) . . . . ?
N1 C21 C22 N4 50.4(4) . . . . ?
C22 N4 C23 C24 -65.1(4) . . . . ?
Co1 N4 C23 C24 171.3(3) . . . . ?
N4 C23 C24 O6 -70.4(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
#
#D H A D - H H...A D...A D - H...A symm(A)
#
N3 H3A Cl1 0.91(5) 2.40(5) 3.299(4) 170(4) . yes
O3 H3B Cl1 0.98(8) 2.19(8) 3.165(6) 174(7) . yes
N4 H4A Cl1 0.81(3) 2.42(3) 3.225(4) 174(4) . yes
O6 H6A Cl1 0.80(6) 2.39(6) 3.186(5) 175(6) . yes
C6 H6 O1 0.9300 2.5500 3.403(5) 153.00 5_565 yes
C11 H11A N1 0.9700 2.4900 3.076(5) 119.00 . yes
C14 H14 O5 0.9300 2.4500 3.363(5) 166.00 5_565 yes
C20 H20 O3 0.9300 2.3800 3.275(5) 163.00 3_775 yes
C23 H23A N2 0.9700 2.5300 3.078(5) 116.00 . yes

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        29.19
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.068


_database_code_depnum_ccdc_archive 'CCDC 928280'
