#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005066.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_2005066
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1428
_journal_page_last    	1430
_publ_section_title
;
Polymeric [p-(2-Hydroxy-5-methylphenylazo)benzoato]trimethyltin
;
_chemical_formula_iupac    	'[Sn (C14 H11 N2 O3) (C1 H3)3]n'
_chemical_formula_moiety    	'C17 H20 N2 O3 Sn'
_chemical_formula_sum    	'C17 H20 N2 O3 Sn'
_chemical_formula_weight    	419.05
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   +y,1/2-z'
'   -x,   -y,   -z'
'   +x,   -y,1/2+z'
'1/2+x,1/2+y,z'
'1/2-x,1/2+y,1/2-z'
'1/2-x,1/2-y,-z'
'1/2+x,1/2-y,1/2+z'
_cell_length_a    	13.165(3)
_cell_length_b    	9.530(5)
_cell_length_c    	28.924(2)
_cell_angle_alpha    	90.
_cell_angle_beta    	98.27(1)
_cell_angle_gamma    	90.
_cell_volume    	3591(1)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.550
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn 0.29093(2) 0.29113(3) 0.23552(1) 0.04819(8)
O(1) 0.3224(2) 0.1550(3) 0.18053(9) 0.0563(9)
O(2) 0.2442(2) -0.0300(3) 0.20570(9) 0.0581(9)
O(3) 0.4773(3) -0.2629(4) -0.0576(1) 0.083(1)
N(1) 0.3901(3) -0.2640(4) 0.0168(1) 0.053(1)
N(2) 0.3595(3) -0.3885(4) 0.0111(1) 0.053(1)
C(1) 0.2939(3) 0.0262(4) 0.1774(1) 0.046(1)
C(2) 0.3226(3) -0.0526(4) 0.1364(1) 0.044(1)
C(3) 0.2904(3) -0.1907(4) 0.1282(1) 0.054(1)
C(4) 0.3123(4) -0.2635(5) 0.0898(1) 0.057(1)
C(5) 0.3655(3) -0.1980(5) 0.0582(1) 0.049(1)
C(6) 0.3989(3) -0.0614(5) 0.0661(1) 0.058(1)
C(7) 0.3771(3) 0.0111(4) 0.1050(1) 0.054(1)
C(8) 0.3854(3) -0.4552(5) -0.0289(1) 0.054(1)
C(9) 0.3512(3) -0.5928(5) -0.0348(1) 0.063(1)
C(10) 0.3707(4) -0.6756(6) -0.0720(2) 0.073(2)
C(10') 0.3313(5) -0.8228(7) -0.0783(2) 0.100(2)
C(11) 0.4277(4) -0.6137(7) -0.1033(2) 0.078(2)
C(12) 0.4631(4) -0.4783(7) -0.0983(2) 0.078(2)
C(13) 0.4427(4) -0.3952(6) -0.0612(1) 0.063(1)
C(21) 0.3601(4) 0.4560(5) 0.2023(2) 0.065(1)
C(31) 0.1277(3) 0.2779(5) 0.2245(2) 0.059(1)
C(41) 0.3866(3) 0.1874(5) 0.2902(1) 0.063(1)
H(1) 0.4478 -0.2280 -0.0265 0.0834
H(3) 0.2517 -0.2365 0.1501 0.0645
H(4) 0.2904 -0.3603 0.0849 0.0678
H(6) 0.4379 -0.0160 0.0443 0.0694
H(7) 0.4003 0.1072 0.1101 0.0645
H(9) 0.3121 -0.6326 -0.0120 0.0755
H(10a) 0.2570 -0.8221 -0.0818 0.1196
H(10b) 0.3533 -0.8632 -0.1061 0.1196
H(10c) 0.3583 -0.8784 -0.0512 0.1196
H(11) 0.4432 -0.6682 -0.1297 0.0932
H(12) 0.5030 -0.4400 -0.1210 0.0942
H(21a) 0.4309 0.4319 0.2002 0.0786
H(21b) 0.3232 0.4701 0.1711 0.0786
H(21c) 0.3581 0.5415 0.2203 0.0786
H(31a) 0.1000 0.3361 0.2472 0.0708
H(31b) 0.1017 0.3102 0.1932 0.0708
H(31c) 0.1070 0.1812 0.2280 0.0708
H(41a) 0.3638 0.0911 0.2923 0.0751
H(41b) 0.4569 0.1882 0.2837 0.0751
H(41c) 0.3829 0.2353 0.3195 0.0751
_cod_database_code 2005066