#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000228.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000228
loop_
_publ_author_name
'Wang, J.-L.'
'Tian, G.-H.'
'Miao, F. M.'
'Liu, H.-Q.'
'Chen, R.-T.'
_publ_section_title
;
 Structure of the complex
 [<i>N</i>-(<i>p</i>-chlorophenyl)iminodiacetato]copper(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2205
_journal_page_last               2207
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C10 H8 Cl Cu N O4'
_chemical_formula_weight         273.17
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.783(2)
_cell_length_b                   9.304(3)
_cell_length_c                   26.993(5)
_cell_volume                     2205.8(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    5.13
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_F_000             1096
_[local]_cod_data_source_file    ab0196.cif
_[local]_cod_data_source_block   ab0196a
_[local]_cod_chemical_formula_sum_orig 'Cu1 Cl1 C10 H8 N1 O4'
_cod_original_cell_volume        2206.0
_cod_database_code               2000228
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)