data_2000520
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1785
_journal_page_last  1788
loop_
_publ_author_name
 'Solans, X.'
 'Ruiz-Ramirez, L.'
 'Martinez, A.'
 'Gasque, L.'
 'Moreno-Esparza, R.'
_chemical_formula_moiety  'C19 H20 Cu1 N3 O4, Cl1, 3(H2 O1)'
_chemical_formula_sum  'C19 H26 Cl1 Cu1 N3 O7'
_chemical_formula_weight  507.4
_symmetry_cell_setting  hexagonal
_symmetry_space_group_name_H-M  'P 61'
_symmetry_space_group_name_Hall  'P 61'
_cell_length_a  9.307(2)
_cell_length_b  9.307(2)
_cell_length_c  44.432
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  120
_cell_volume  3333(3)
_cell_formula_units_Z  6
_exptl_crystal_density_diffrn  1.516
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  ?
_exptl_absorpt_coefficient_mu  1.188
_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
 Cu .72602(10) .12140(10) .58945
 O(1) .8055(7) .3536(6) .58100(10)
 C(2) .7571(9) .3790(10) .5558(2)
 O(2) .8108(8) .5203(8) .5448(2)
 C(3) .6394(9) .2293(9) .5372(2)
 N(4) .5612(8) .0825(8) .55770(10)
 C(5) .7363(11) .1989(11) .5118(2)
 C(6) .8691(10) .1653(9) .5225(2)
 C(7) 1.0289(10) .2898(11) .5275(2)
 C(8) 1.1517(10) .2573(11) .5385(2)
 C(9) 1.1061(10) .0933(11) .5449(2)
 O(9) 1.2288(8) .0634(9) .5562(2)
 C(10) .9468(9) -.0338(10) .5402(2)
 C(11) .8290(10) .0009(10) .5289(2)
 N(12) .9280(8) .1818(9) .6139(2)
 C(13) 1.0418(11) .3374(11) .6211(2)
 C(14) 1.1905(12) .3704(14) .6355(2)
 C(15) 1.2178(12) .2396(15) .6422(2)
 C(16) 1.0952(12) .0778(13) .6350(2)
 C(17) .9513(10) .0510(11) .6211(2)
 C(18) .8127(11) -.1135(10) .6126(2)
 C(19) .8136(13) -.2573(11) .6183(2)
 C(20) .6792(15) -.4040(12) .6087(2)
 C(21) .5482(13) -.4031(10) .5931(2)
 C(22) .5576(11) -.2517(9) .5884(2)
 N(23) .6879(9) -.1084(8) .59770(10)
 Cl .3580(3) .6300(2) .18040(10)
 OW(1) .5420(8) .1076(9) .6257(2)
 OW(2) .8665(7) .2614(8) .0631(2)
 OW(3) .0447(9) .6228(11) .6689(2)
 OW(4) .7970(10) .5407(11) .4566(2)
 H(5) .7935(11) .3077(11) .4977(2)
 H(5)' .6484(11) .0934(11) .4988(2)
 H(7) 1.0616(10) .4165(11) .5229(2)
 H(8) 1.2777(10) .3565(11) .5418(2)
 H(10) .9136(9) -.1602(10) .5453(2)
 H(11) .7045(10) -.0995(10) .5248(2)
 H(13) 1.0200(11) .4382(11) .6158(2)
 H(14) 1.2825(12) .4961(14) .6413(2)
 H(15) 1.3320(12) .2629(15) .6528(2)
 H(16) 1.1130(12) -.0256(13) .6403(2)
 H(19) .9161(13) -.2561(11) .6299(2)
 H(20) .6745(15) -.5203(12) .6132(2)
 H(21) .4438(13) -.5169(10) .5850(2)
 H(22) .4570(11) -.2486(9) .5768(2)