data_2000228
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2205
_journal_page_last  2207
loop_
_publ_author_name
 'Wang, J.-L.'
 'Tian, G.-H.'
 'Miao, F.-M.'
 'Liu, H.-Q.'
 'Chen, R.-T.'
_chemical_formula_sum  'Cu1 Cl1 C10 H8 N1 O4'
_chemical_formula_weight  273.17
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_cell_length_a  8.783(2)
_cell_length_b  9.304(3)
_cell_length_c  26.993(5)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  2206.0
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.838
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1096
_exptl_absorpt_coefficient_mu  5.13
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 CU1 .4224(2) .3510(2) .32663(6)
 O1 .6067(9) .2932(8) .2933(3)
 O2 .8014(8) .3813(8) .2509(3)
 O3 .24610(10)
 .4507(8) .3531(3)
 O4 .3753(8) .1560(10)
   .3455(3)
 N1 .5173(9) .5501(9) .3275(4)
 C1 .6860(10)
   .3970(10)
  .2768(4)
 C2 .6220(10)
   .5440(10)
  .2843(5)
 C3 .241(2) .5790(10)
  .3420(4)
 C4 .3850(10)
   .6450(10)
  .3196(4)
 C11 .5900(10)
 .5670(10)
   .3753(4)
 C12 .516(2) .620(2) .4140(5)
 C13 .583(2) .629(2) .4595(5)
 C14 .725(2) .582(2) .4675(5)
 C15 .814(2) .535(3) .4287(6)
 C16 .739(2) .523(2) .3805(5)
 Cl1 .8028(6) .5849(7) .5260(2)
 H21 .58(2) .580(10)
    .249(5)
 H22 .69(2) .620(10)
    .284(4)
 H41 .400(10)
   .740(10)
    .334(5)
 H42 .37(2) .60(10)
   .283(5)
 H12 .420(10)
   .620(10)
    .416(4)
 H13 .530(10)
   .660(10)
    .485(5)
 H15 .92(2) .510(10)
    .431(4)
 H16 .79(2) .48(2) .355(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
 CU1 O1 1.928(4)
 CU1 O3 1.940(4)
 CU1 O4 1.928(5)
 CU1 N1 2.031(5)
 O1 C1 1.270(7)
 O2 C1 1.240(8)
 O3 C3 1.234(7)
 O4 C3 1.253(8)
 N1 C2 1.487(8)
 N1 C4 1.476(7)
 N1 C11 1.447(8)
 N1 H22 2.03(8)
 N1 H41 2.03(8)
 N1 H42 2.05(8)
 C1 C2 1.493(9)
 C1 H22 2.08(8)
 C2 H21 1.09(8)
 C2 H22 .93(8)
 C3 C4 1.525(9)
 C3 H41 2.05(8)
 C3 H42 2.09(8)
 C4 H41 .96(8)
 C4 H42 1.01(7)
 C11 C12 1.332(10)
 C11 C16 1.374(11)
 C11 H12 1.90(7)
 C11 H16 1.99(8)
 C12 C13 1.364(11)
 C12 H12 .81(7)
 C12 H13 1.95(7)
 C13 C14 1.345(13)
 C13 H12 1.83(7)
 C13 C13 .89(7)
 C14 C15 1.376(13)
 C14 Cl1 1.718(8)
 C14 H13 1.94(8)
 C14 H15 2.05(8)
 C15 C16 1.462(11)
 C15 C15 .93(7)
 C15 H16 2.06(7)
 C16 H15 2.08(8)
 C16 H16 .90(7)
 H21 H22 1.44(10)
 H41 H42 1.59(10)