#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/56/1535618.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535618
loop_
_publ_author_name
'Muehle, C.'
'Nuss, J.'
'Dinnebier, R.E.'
'Jansen, M.'
_publ_section_title
;
 Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und
 deren Monohydrate
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1462
_journal_page_last               1468
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C4 H1.582 K2 N4 O0.791 Pd'
_chemical_name_systematic        'K2 (Pd (C N)4) (H2 O)0.791'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2148
_cell_length_b                   9.7677
_cell_length_c                   13.2644
_cell_volume                     934.769
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Muehle_ZAACAB_2004_1516.cif
_cod_data_source_block           C4H1.582K2N4O0.791Pd1
_cod_original_cell_volume        934.7688
_cod_original_formula_sum        'C4 H1.582 K2 N4 O0.791 Pd1'
_cod_database_code               1535618
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,y-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N1 N-3 -0.0096 0.4513 0.7328 1 0.0
K1 K+1 0.25 0 0.59341 1 0.0
Pd1 Pd+2 0 0 0 1 0.0
N2 N-3 0.0555 0.1848 0.4631 1 0.0
K2 K+1 0.186 0.25 0.25 1 0.0
C1 C+2 -0.0052 0.4692 0.6477 1 0.0
C2 C+2 0.0336 0.2994 0.4789 1 0.0
O1 O-2 0.8043 0.25 0.25 0.791 0.0
H1 H+1 0.7283 0.3191 0.2713 0.791 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 71310364
