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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537538.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_1537538
loop_
_publ_author_name
'Kokunov, Yu.V.'
'Gorbunova, Yu.E.'
'Detkov, D.G.'
_publ_section_title
;
 Tin(II) oxalate and oxalatofluoride polymeric compounds. Synthesis and
 crystal structure of (H3 N (C H2)2 N H3)0.5 (Sn F (C2 O4)) * (H2 O) and
 (H3 N (C H2)2 N H3) (Sn2 (C2 O4)3) * 0.5(H2 O)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1094
_journal_page_last               1100
_journal_volume                  49
_journal_year                    2004
_chemical_formula_sum            'C3 H7 F N O5 Sn'
_chemical_name_systematic
'(N H3 (C H2)2 N H3)0.5 (Sn F (C2 O4)) (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.9
_cell_angle_beta                 94.01
_cell_angle_gamma                103.78
_cell_formula_units_Z            2
_cell_length_a                   6.045
_cell_length_b                   7.704
_cell_length_c                   8.025
_cell_volume                     353.825
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kokunov_ZNOKAQ_2004_570.cif
_cod_data_source_block           C3H7F1N1O5Sn1
_cod_original_cell_volume        353.8248
_cod_original_formula_sum        'C3 H7 F1 N1 O5 Sn1'
_cod_database_code               1537538
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
N1 N-3 0.2166 0.0592 -0.3078 1 0.0
O4 O-2 0.5975 0.4679 0.1669 1 0.0
H4 H+1 0.357 0.114 -0.358 1 0.0
H2 H-1 -0.115 0.042 -0.354 1 0.0
F1 F-1 0.1465 0.2287 0.0098 1 0.0
H6 H+1 0.206 -0.154 0.039 1 0.0
H3 H+1 0.214 0.128 -0.203 1 0.0
H5 H+1 0.211 -0.068 -0.308 1 0.0
C1 C+3 0.4932 0.304 0.3871 1 0.0
H1 H-1 0.045 0.204 -0.427 1 0.0
O1 O-2 0.299 0.3407 0.3728 1 0.0
O2 O-2 0.5555 0.2211 0.493 1 0.0
O3 O-2 -0.1572 0.3212 0.2598 1 0.0
C2 C+3 0.6601 0.3687 0.2601 1 0.0
H7 H+1 0.436 -0.029 0.022 1 0.0
Sn1 Sn+2 0.21819 0.4769 0.1721 1 0.0
C3 C+3 0.0105 0.0661 -0.414 1 0.0
O5 O-2 0.3457 -0.0483 0.1113 1 0.0
