#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/15/8101500.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_8101500
loop_
_publ_author_name
'Basu Baul, S.'
'Basu Baul, T. S.'
'Tiekink, E. R. T.'
_publ_section_title
;
Crystal structure of dichlorodimethyl[N-(2-pyridylmethylene)-4-toluidine]
tin, C15H18Cl2N2Sn
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              209
_journal_page_last               210
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C15 H18 Cl2 N2 Sn '
_chemical_formula_sum            'C15 H18 Cl2 N2 Sn'
_chemical_formula_weight         415.92
_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                 110.600(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.851(2)
_cell_length_b                   6.892(2)
_cell_length_c                   16.098(2)
_cell_measurement_temperature    293
_cell_volume                     1750.1(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.578
_refine_ls_R_factor_obs          0.0326
_refine_ls_wR_factor_obs         0.0327
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H18 Cl2 N2 Sn '
_cod_database_code               8101500
loop_
_symmetry_equiv_pos_as_xyz
'  +x,  +y,  +z'
'  -x,1/2+y,1/2-z'
'  -x,  -y,  -z'
'  +x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
Sn 0.28607(3) -0.30988(6) 0.12793(3) 0.0359(1) Uani ? ? 1
Cl(1) 0.1939(1) -0.1038(3) 0.1847(1) 0.0631(6) Uani ? ? 1
Cl(2) 0.3780(1) -0.4570(3) 0.2710(1) 0.0709(6) Uani ? ? 1
N(1) 0.3617(3) -0.4881(8) 0.0475(3) 0.038(2) Uani ? ? 1
N(2) 0.2348(3) -0.2241(8) -0.0322(3) 0.040(2) Uani ? ? 1
C(1) 0.4223(4) -0.620(1) 0.0831(4) 0.049(2) Uani ? ? 1
C(2) 0.4578(4) -0.728(1) 0.0332(5) 0.051(2) Uani ? ? 1
C(3) 0.4288(4) -0.707(1) -0.0561(5) 0.051(2) Uani ? ? 1
C(4) 0.3654(4) -0.570(1) -0.0944(4) 0.048(2) Uani ? ? 1
C(5) 0.3335(4) -0.4671(10) -0.0411(4) 0.039(2) Uani ? ? 1
C(6) 0.2690(4) -0.315(1) -0.0786(4) 0.042(2) Uani ? ? 1
C(7) 0.1800(4) -0.0623(10) -0.0703(4) 0.038(2) Uani ? ? 1
C(8) 0.1087(4) -0.035(1) -0.0486(4) 0.052(2) Uani ? ? 1
C(9) 0.0561(4) 0.120(1) -0.0841(5) 0.060(3) Uani ? ? 1
C(10') 0.0167(5) 0.423(1) -0.1768(6) 0.082(3) Uani ? ? 1
C(10) 0.0732(4) 0.253(1) -0.1396(4) 0.053(2) Uani ? ? 1
C(11) 0.1456(4) 0.220(1) -0.1610(5) 0.053(2) Uani ? ? 1
C(12) 0.1980(4) 0.065(1) -0.1265(4) 0.048(2) Uani ? ? 1
C(21) 0.3708(5) -0.079(1) 0.1408(5) 0.065(3) Uani ? ? 1
C(31) 0.1982(4) -0.541(1) 0.0949(4) 0.055(2) Uani ? ? 1
H(1) 0.4421 -0.6401 0.1468 0.0583 Uiso ? ? 1
H(2) 0.5033 -0.8180 0.0619 0.0613 Uiso ? ? 1
H(3) 0.4516 -0.7849 -0.0925 0.0615 Uiso ? ? 1
H(4) 0.3444 -0.5482 -0.1580 0.0573 Uiso ? ? 1
H(6) 0.2524 -0.2846 -0.1412 0.0508 Uiso ? ? 1
H(8) 0.0956 -0.1246 -0.0087 0.0625 Uiso ? ? 1
H(9) 0.0053 0.1369 -0.0696 0.0723 Uiso ? ? 1
H(10a) -0.0063 0.4141 -0.2410 0.0986 Uiso ? ? 1
H(10b) 0.0491 0.5425 -0.1597 0.0986 Uiso ? ? 1
H(10c) -0.0294 0.4241 -0.1539 0.0986 Uiso ? ? 1
H(11) 0.1591 0.3087 -0.2010 0.0634 Uiso ? ? 1
H(12) 0.2481 0.0461 -0.1420 0.0572 Uiso ? ? 1
H(21a) 0.4057 -0.1054 0.1054 0.0777 Uiso ? ? 1
H(21b) 0.3391 0.0397 0.1205 0.0777 Uiso ? ? 1
H(21c) 0.4066 -0.0654 0.2026 0.0777 Uiso ? ? 1
H(31a) 0.2271 -0.6608 0.1192 0.0658 Uiso ? ? 1
H(31b) 0.1729 -0.5516 0.0309 0.0658 Uiso ? ? 1
H(31c) 0.1542 -0.5159 0.1195 0.0658 Uiso ? ? 1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn Cl(1) 2.503(2) ? ? yes
Sn Cl(2) 2.495(2) ? ? yes
Sn N(1) 2.444(5) ? ? yes
Sn N(2) 2.484(5) ? ? yes
Sn C(21) 2.097(7) ? ? yes
Sn C(31) 2.110(7) ? ? yes
N(1) C(1) 1.334(8) ? ? yes
N(1) C(5) 1.344(7) ? ? yes
N(2) C(6) 1.261(7) ? ? yes
N(2) C(7) 1.440(7) ? ? yes
C(1) C(2) 1.376(9) ? ? yes
C(2) C(3) 1.353(9) ? ? yes
C(3) C(4) 1.396(9) ? ? yes
C(4) C(5) 1.360(8) ? ? yes
C(5) C(6) 1.475(8) ? ? yes
C(7) C(8) 1.378(8) ? ? yes
C(7) C(12) 1.370(8) ? ? yes
C(8) C(9) 1.381(10) ? ? yes
C(9) C(10) 1.378(10) ? ? yes
C(10') C(10) 1.498(10) ? ? yes
C(10) C(11) 1.398(9) ? ? yes
C(11) C(12) 1.372(9) ? ? yes
