data_2000542
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1841
_journal_page_last  1842
loop_
_publ_author_name
 'McAuliffe, C.A.'
 'Pritchard, R.G.'
 'Bermejo, M.R.'
 'Garcia-Vazquez, A.'
 'Macias, A.'
 'Sanmartin, J.'
 'Romero, J.'
 'Sousa, A.'
_chemical_formula_moiety  'C25 H16 Co1 N4 O3,Cl1 O4'
_chemical_formula_sum  'C25 H16 Cl1 Co1 N4 O7'
_chemical_formula_weight  578.81
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  11.732(5)
_cell_length_b  12.404(4)
_cell_length_c  16.194(5)
_cell_angle_alpha  90.
_cell_angle_beta  108.80(3)
_cell_angle_gamma  90.
_cell_volume  2231.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.723
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1176
_exptl_absorpt_coefficient_mu  0.944
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Co(1) .74501(8) .05831(7) .36288(6)
 O(1) .8373(4) -.0682(3) .3989(3)
 O(2) .6457(4) -.0645(4) .3318(3)
 O(3) .7382(5) -.2266(3) .3676(3)
 N(1) .7814(5) .0502(4) .2555(3)
 N(2) .8763(5) .1609(4) .3962(4)
 N(3) .7066(5) .0655(4) .4701(3)
 N(4) .6243(5) .1718(4) .3249(4)
 C(1) .8870(6) .0998(5) .2615(4)
 C(2) .7261(8) -.0034(6) .1827(5)
 C(3) .7726(9) -.0101(7) .1157(5)
 C(4) .8783(9) .0365(6) .1209(5)
 C(5) .9405(7) .0963(6) .1960(5)
 C(6) 1.0480(8) .1561(7) .2095(6)
 C(7) 1.0954(7) .2181(7) .2805(6)
 C(8) 1.0401(6) .2251(6) .3468(5)
 C(9) 1.0780(7) .2906(7) .4224(6)
 C(10) 1.0169(7) .2905(6) .4800(6)
 C(11) .9164(7) .2243(6) .4670(5)
 C(12) .9371(6) .1633(5) .3377(4)
 C(13) .6107(6) .1306(5) .4635(4)
 C(14) .7510(7) .0087(6) .5436(5)
 C(15) .7015(8) .0138(6) .6099(5)
 C(16) .6057(7) .0775(6) .6036(5)
 C(17) .5578(6) .1405(5) .5282(4)
 C(18) .4592(7) .2137(6) .5134(5)
 C(19) .4212(7) .2744(6) .4400(5)
 C(20) .4748(6) .2653(5) .3735(5)
 C(21) .4445(7) .3263(6) .2949(5)
 C(22) .5013(7) .3085(6) .2379(5)
 C(23) .5938(7) .2307(6) .2526(5)
 C(24) .5679(6) .1916(5) .3848(4)
 C(25) .7387(7) -.1279(6) .3662(5)
 Cl(1) .3110(2) .0775(2) .13310(10)
 O(4) .4125(5) .0577(5) .1077(4)
 O(5) .3414(6) .0853(6) .2239(4)
 O(6) .2607(7) .1784(6) .0974(5)
 O(7) .2248(6) -.0017(6) .1041(5)
 H(2) .662(5) -.032(5) .184(4)
 H(3) .737(6) -.049(6) .073(5)
 H(4) .918(4) .029(4) .075(3)
 H(6) 1.086(7) .144(6) .175(5)
 H(7) 1.177(5) .258(4) .286(4)
 H(9) 1.145(6) .325(5) .425(4)
 H(10) 1.033(6) .345(5) .526(4)
 H(11) .868(5) .225(5) .509(4)
 H(14) .813(6) -.029(5) .545(4)
 H(15) .728(6) -.027(5) .650(4)
 H(16) .576(5) .079(4) .647(4)
 H(18) .422(6) .220(5) .549(4)
 H(19) .352(5) .321(4) .433(3)
 H(21) .378(6) .373(5) .287(5)
 H(22) .494(6) .346(5) .190(4)
 H(23) .637(5) .221(5) .218(4)