data_2000344
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2111
_journal_page_last  2114
loop_
_publ_author_name
 'Munoz, C.'
 'Ruiz, R.'
 'Mollar, M.'
 'Lloret, F.'
 'Julve, M.'
 'Solans, X.'
_chemical_formula_moiety  'C16 H15 Cu1 N4 O4,Cl1 O4'
_chemical_formula_sum  'C16 H15 Cl1 Cu1 N4 O8'
_chemical_formula_weight  490.3
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  9.105(2)
_cell_length_b  9.588(2)
_cell_length_c  11.753(3)
_cell_angle_alpha  78.21(2)
_cell_angle_beta  80.45(2)
_cell_angle_gamma  69.720(10)
_cell_volume  937.1(6)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.737
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  498
_exptl_absorpt_coefficient_mu  1.411
_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(1) .16443(4) .13081(4) .15633(3)
 N(1) .2427(3) .2962(3) .0605(2)
 C(2) .3671(4) .2786(5) -.0195(3)
 C(3) .4120(5) .2999(5) -.0815(4)
 C(4) .3256(5) .5399(5) -.0581(3)
 C(5) .1962(4) .5601(4) .0264(3)
 C(6) .1579(4) .4356(4) .0841(3)
 N(7) .0152(3) .3010(3) .2200(2)
 C(8) .0263(4) .4389(3) .1766(3)
 C(9) -.0797(5) .5630(4) .2215(3)
 C(10) -.1927(5) .5414(5) .3095(3)
 C(11) -.2031(5) .4000(5) .3536(3)
 C(12) -.0959(4) .2796(4) .3039(3)
 N(13) .0377(4) .0246(3) .2769(2)
 C(14) -.0835(4) .1189(4) .3368(3)
 C(15) -.1830(5) .0647(5) .4210(4)
 C(16) -.1532(6) -.0880(5) .4482(4)
 C(17) -.0286(5) -.1856(5) .3898(4)
 C(18) .0625(5) -.1236(4) .3018(3)
 O(19) .2748(3) -.0357(3) .0664(2)
 N(20) .2083(4) -.0099(3) -.0298(3)
 O(21) .0955(4) .1058(3) -.0460(3)
 O(22) .2614(5) -.1006(4) -.0952(3)
 O(23) .3698(4) .0657(4) .2663(4)
 C(24) .4878(6) -.0689(6) .2960(5)
 Cl(1) -.64040(10)
     .40640(10)
        .36580(10)
 O(1) -.550(4)   .326(3)   .266(2)
 O(1)' -.5852(19) .339(2)   .2694(16)
 O(2) -.8019(5) .4074(7) .3905(5)
 O(3) -.560(5)   .353(4)   .461(5)
 O(3)' -.574(4)   .313(7)   .448(5)
 O(3)" -.538(9)   .316(8)   .483(6)
 O(4) -.665(4)   .552(3)   .326(3)
 O(4)' -.6230(17) .5583(19) .3452(15)
 H(2) .409(7)   .197(7)   -.045(5)
 H(3) .498(7)   .366(6)   -.144(5)
 H(4) .354(7)   .620(6)   -.093(5)
 H(5) .138(6)   .652(7)   .048(5)
 H(9) -.072(7)   .653(7)   .178(5)
 H(11) -.278(6)   .390(6)   .417(5)
 H(15) -.264(7)   .133(6)   .459(5)
 H(16) -.192(7)   -.110(7)   .497(5)
 H(17) -.0026(5) -.3060(5) .4119(4)
 H(18) .155(7)   -.182(6)   .263(5)
 H(24) .5630(6) -.0522(6) .3503(5)
 H(24)' .5566(6) -.1072(6) .2174(5)
 H(24)" .4357(6) -.1523(6) .3431(5)