#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010028.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_1010028
loop_
_publ_author_name
'Dickinson, B N'
_publ_section_title
;
The crystal structure of tetramminopalladous chloride Pd (N H₃)₄
Cl₂ H₂ O
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              281
_journal_page_last               297
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     'Pd (N H3)4 Cl2 H2 O'
_chemical_formula_sum            'Cl2 H14 N4 O Pd'
_chemical_name_systematic        'Tetraamminepalladium chloride hydrate'
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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(30)
_cell_length_b                   10.302
_cell_length_c                   4.34(2)
_cell_volume                     460.6
_exptl_crystal_density_meas      1.93(10)
_cod_original_formula_sum        'H14 Cl2 N4 O Pd'
_cod_database_code               1010028
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,z
-y,x,z
y,-x,z
1/2+y,1/2+x,z
1/2-y,1/2-x,z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
y,-x,-z
-y,x,-z
1/2-y,1/2-x,-z
1/2+y,1/2+x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pd1 Pd2+ 2 a 0. 0. 0. 1. 0 d
N1 N3- 8 i 0.194(20) 0.027(20) 0. 1. 3 d
Cl1 Cl1- 4 h 0.285(10) 0.785 0.5 1. 0 d
O1 O2- 2 d 0. 0.5 0. 1. 2 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pd2+ 2.000
N3- -3.000
Cl1- -1.000
O2- -2.000
H1+ 1.000
