#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008038.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008038
loop_
_publ_author_name
'Dickinson, B. N.'
_publ_section_title
;
 The crystal structure of tetramminopalladous chloride Pd(NH3)4Cl2*H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              281
_journal_page_last               297
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     Pd(NH3)4Cl2*H2O
_chemical_formula_sum            'Cl2 H2 N4 O Pd'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.302
_cell_length_b                   10.302
_cell_length_c                   4.34
_cell_volume                     460.609
_database_code_amcsd             0010539
_exptl_crystal_density_diffrn    1.812
_cod_original_formula_sum        'Pd N4 Cl2 (O H2)'
_cod_database_code               9008038
_amcsd_formula_title             Pd(NH3)4Cl2*H2O
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
1/2+y,1/2+x,-z
y,-x,-z
-y,x,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
x,y,-z
-x,-y,z
1/2+y,1/2+x,z
1/2-y,1/2-x,-z
-y,x,-z
y,-x,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
_atom_site_attached_hydrogens
Pd 0.00000 0.00000 0.00000 Pd 0
N 0.19400 0.02700 0.00000 N 0
Cl 0.28500 0.78500 0.50000 Cl 0
Wat 0.00000 0.50000 0.00000 O 2
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:51:07+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010539
