data_1010028
_chemical_name_systematic          'Tetraamminepalladium chloride hydrate'
_chemical_formula_structural       'Pd (N H3)4 Cl2 H2 O'
_chemical_formula_sum              'H14 Cl2 N4 O Pd'
_publ_section_title
;
The crystal structure of tetramminopalladous chloride Pd (N H~3~)~4~
Cl~2~ H~2~ O
;
_publ_author_name                  'Dickinson, B N'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    88
_journal_year                      1934
_journal_page_first                281
_journal_page_last                 297
_cell_length_a                     10.302(30)
_cell_length_b                     10.302
_cell_length_c                     4.34(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       460.6
_cell_formula_units_Z              2
_exptl_crystal_density_meas        1.93(10)
_symmetry_space_group_name_H-M     'P 4/m b m'
_symmetry_Int_Tables_number        127
_symmetry_cell_setting             tetragonal
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_type_symbol
_atom_type_oxidation_number
  Pd2+   2.000
  N3-   -3.000
  Cl1-  -1.000
  O2-   -2.000
  H1+    1.000
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
  H1    H1+   16 l -1. -1. -1. 1.75  0 dum