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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/2/00/05/2000505.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_2000505
loop_
_publ_author_name
'Blake, A. J.'
'Gould, R. O.'
'Johnson, B. F. G.'
'Parisini, E.'
_publ_section_title
;
 Redetermination of the structure of potassium tetranitropalladate(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1749
_journal_page_last               1751
_journal_paper_doi               10.1107/S0108270192000192
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'K2 Pd1,4(N1 O2)'
_chemical_formula_sum            'K2 N4 O8 Pd'
_chemical_formula_weight         368.58
_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                 96.43(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.254(5)
_cell_length_b                   12.747(3)
_cell_length_c                   7.805(2)
_cell_volume                     914.9(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.95
_exptl_crystal_density_diffrn    2.676
_exptl_crystal_F_000             704
_cod_data_source_file            ha0078.cif
_cod_data_source_block           ha0078a
_cod_original_cell_volume        914.9
_cod_original_formula_sum        'K2 N4 O8 Pd1'
_cod_database_code               2000505
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pd(1) .0 .5 .5 .0164(2)
Pd(2) .5 .0 .0 .0155(2)
K(1) .18055(6) .15773(4) .41954(6) .0303(3)
K(2) .65430(6) .31845(4) .14652(6) .0278(3)
N(1) .1128(2) .62713(15) .4352(3) .0233(9)
N(2) .01236(19) .43292(14) .2679(2) .0229(9)
N(3) .58120(19) .02375(15) .2518(2) .0207(8)
N(4) .3912(2) .13607(15) .0115(3) .0227(9)
O(1) .0748(2) .67760(17) .3036(3) .0466(12)
O(2) .2233(2) .65355(16) .5280(3) .0377(10)
O(3) -.0821(2) .44892(17) .1464(3) .0384(11)
O(4) .1118(2) .37168(18) .2483(3) .0468(12)
O(5) .5873(2) -.04879(16) .3576(2) .0363(11)
O(6) .6238(2) .11117(15) .2993(2) .0397(10)
O(7) .4292(2) .21302(14) -.0695(3) .0367(10)
O(8) .2905(2) .14430(17) .1012(3) .0398(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pd(1) N(1) 2.0225(19)
Pd(1) N(2) 2.0181(18)
Pd(2) N(3) 2.0466(18)
Pd(2) N(4) 2.0127(19)
N(1) O(1) 1.229(3)
N(1) O(2) 1.231(3)
N(2) O(3) 1.232(3)
N(2) O(4) 1.229(3)
N(3) O(5) 1.237(3)
N(3) O(6) 1.226(3)
N(4) O(7) 1.239(3)
N(4) O(8) 1.231(3)
