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#$Date: 2016-11-16 18:57:30 +0200 (Wed, 16 Nov 2016) $
#$Revision: 188516 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/16/1501643.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_1501643
loop_
_publ_author_name
'Christian Courseille'
'NGuyen Ba Chanh'
'Thierry Maris'
'Abdelaziz Daoud'
'Younes Abid'
'Michel Laguerre'
_publ_section_title
;
 Crystal structure and phase transition in the perovskite-type layer
 molecular composite NH₃-(CH₂)₄-NH₃ PbC1₄
;
_journal_name_full               'Physica Statu Solidi A'
_journal_page_first              203
_journal_page_last               214
_journal_paper_doi               10.1002/pssa.2211430202
_journal_volume                  143
_journal_year                    1994
_chemical_formula_sum            'C4 H14 Cl4 N2 Pb'
_space_group_IT_number           14
_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                 94.84(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.944(2)
_cell_length_b                   7.772(5)
_cell_length_c                   19.761(8)
_cell_volume                     1215.7(10)
_exptl_crystal_colour            colorless
_cod_data_source_file            deposit.cif
_cod_data_source_block           2C4CuRT
_cod_original_cell_volume        1215.71
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C4 H14 N2 Pb Cl4'
_cod_database_code               1501643
loop_
_symmetry_equiv_pos_as_xyz
X,Y,Z
-X,Y+1/2,-Z+1/2
-X,-Y,-Z
X,-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_adp_type
_atom_site_attached_hydrogens
Pb1 Pb -0.2613(1) 0.6599(1) 0.2519(1) Uani 0
Cl1 Cl -0.2566(8) 0.6856(9) 0.1090(3) Uani 0
Cl2 Cl -0.1916(8) 0.6864(9) 0.3993(3) Uani 0
Cl3 Cl -0.0482(8) 0.3563(8) 0.2485(3) Uani 0
Cl4 Cl -0.5824(8) 0.4847(8) 0.2485(3) Uani 0
N1 N 0.8662(23) 0.4135(25) -0.1252(9) Uani 3
C1 C 0.7455(40) 0.3014(39) -0.0920(14) Uani 2
C2 C 0.7734(31) 0.3025(45) -0.0163(12) Uani 2
C3 C 0.6485(30) 0.1920(37) 0.0161(12) Uani 2
C4 C 0.6564(32) 0.1961(34) 0.0899(13) Uani 2
N2 N 0.8056(27) 0.0890(30) 0.1224(11) Uani 3
