#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/88/1528840.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_1528840
loop_
_publ_author_name
'Samanamu, C.R.'
'Zamora, E.N.'
'Richards, A.F.'
'Montchamp, J.L.'
_publ_section_title
;
 Synthesis of homo and hetero metal-phosphonate frameworks from
 bi-functional aminomethylphosphonic acid
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1462
_journal_page_last               1471
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'C H5 Cl N O3 P Zn'
_chemical_name_systematic        'Zn (P O3 C H2 N H3) Cl'
_space_group_IT_number           14
_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                 107.225
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7551
_cell_length_b                   15.6652
_cell_length_c                   8.1084
_cell_volume                     576.902
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Samanamu_JSSCBI_2008_1533.cif
_cod_data_source_block           C1H5Cl1N1O3P1Zn1
_cod_original_formula_sum        'C1 H5 Cl1 N1 O3 P1 Zn1'
_cod_database_code               1528840
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_occupancy
_atom_site_U_iso_or_equiv
H1 H-1 -0.9294 0.4647 -0.2652 1 0.0
P1 P+5 -0.9538 0.3362 -0.41422 1 0.0
Cl1 Cl-1 -0.56028 0.41511 -0.87455 1 0.0
O3 O-2 -0.2129 0.28141 -0.5115 1 0.0
H4 H+1 -1.369 0.354 -0.214 1 0.0
H5 H+1 -1.292 0.437 -0.132 1 0.0
Zn1 Zn+2 -0.58766 0.320611 -0.67124 1 0.0
H3 H+1 -1.08 0.364 -0.098 1 0.0
O2 O-2 -0.7432 0.2108 -0.763 1 0.0
O1 O-2 -0.792 0.37837 -0.528 1 0.0
N1 N-3 -1.2107 0.39318 -0.1738 1 0.0
H2 H-1 -1.2448 0.4545 -0.4016 1 0.0
C1 C+2 -1.09 0.42431 -0.3139 1 0.0
