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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/57/2015713.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_2015713
loop_
_publ_author_name
'Kettmann, V.'
'Krätsmár-Smogrovic, J.'
'Svajlenová, O.'
_publ_section_title
;
 Structure of potassium
 isocyanato[N-salicylidene-<small>DL</small>-alaninato(2-)]cuprate(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1119
_journal_page_last               1121
_journal_paper_doi               10.1107/S0108270189014277
_journal_volume                  46
_journal_year                    1990
_chemical_formula_moiety         'C11 H9 Cu1 N2 O4 1-,K1 1+'
_chemical_formula_sum            'C11 H9 Cu K N2 O4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.53(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.925(3)
_cell_length_b                   17.144(8)
_cell_length_c                   9.231(5)
_cell_volume                     1214.1(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    4.76
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_meas      1.840(10)
_exptl_crystal_F_000             676
_cod_data_source_file            ge0118.cif
_cod_data_source_block           ge0118a
_cod_original_cell_volume        1214.0(8)
_cod_original_formula_sum        'C11 H9 Cu1 K1 N2 O4'
_cod_database_code               2015713
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 .1862 .4639 .4430
K .40990(10) .4563 .16440(10)
O1 .0878(2) .44300(10) .2371(2)
O2 .2837(3) .48020(10) .6561(2)
O3 .3049(3) .42940(10) .8790(2)
O4 .5360(3) .62850(10) .5523(2)
N1 .0602(3) .38130(10) .5105(2)
N2 .3128(3) .55450(10) .3930(3)
C1 -.0502(3) .4001(2) .1820(3)
C2 -.1319(3) .3521(2) .2692(3)
C3 -.2813(4) .3091(2) .1999(3)
C4 -.3501(4) .3129(2) .0475(3)
C5 -.2684(4) .3583(2) -.0370(3)
C6 -.1215(4) .3998(2) .0263(3)
C7 -.0678(3) .3438(2) .4289(3)
C8 .1205(4) .3648(2) .6707(3)
C9 .2096(5) .2867(2) .7012(4)
C10 .2443(4) .4295(2) .7435(3)
C11 .4217(3) .5909(2) .4734(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cu1 O1 1.899(2)
Cu1 O2 1.945(2)
Cu1 N1 1.925(2)
Cu1 N2 1.965(2)
O1 C1 1.310(3)
C1 C2 1.416(4)
C2 C3 1.405(4)
C3 C4 1.377(4)
C4 C5 1.374(4)
C5 C6 1.365(4)
C6 C1 1.406(4)
C2 C7 1.441(4)
C7 N1 1.275(3)
N1 C8 1.463(3)
C8 C9 1.506(5)
C8 C10 1.521(4)
C10 O2 1.277(3)
C10 O3 1.222(3)
N2 C11 1.167(4)
C11 O4 1.199(4)
