#------------------------------------------------------------------------------
#$Date: 2011-03-31 12:48:06 +0100 (Thu, 31 Mar 2011) $
#$Revision: 17004 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006449.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_2006449
loop_
_publ_author_name
'Alan Hazell'
'Kar Fong Thong'
'Jiexiang Ouyang'
'Lian Ee Khoo'
_publ_section_title
;
(8-Aminoquinoline-N,N')dichlorodimethyltin(IV)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1226
_journal_page_last               1228
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Sn Cl2 (C H3)2 (C9 H8 N2)]'
_chemical_formula_structural     '[SnCl2(CH3)2(C9H8N2)]'
_chemical_formula_sum            'C11 H14 Cl2 N2 Sn'
_chemical_formula_weight         363.84
_chemical_melting_point          400.5(15)
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.15(5)
_cell_angle_beta                 104.32(5)
_cell_angle_gamma                71.59(5)
_cell_formula_units_Z            2
_cell_length_a                   9.678(8)
_cell_length_b                   10.701(9)
_cell_length_c                   7.280(6)
_cell_measurement_temperature    294
_cell_volume                     691.0(10)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.749
_refine_ls_R_factor_obs          .055
_refine_ls_wR_factor_obs         .066
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_thermal_displace_type' value 'UISO' changed to 'Uiso'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '399-402' was changed to '400.5(15)'
- the average value was taken and precision was
estimated.

'_atom_site_thermal_displace_type' tag value 'Uij' was
replaced with 'Uani' value 16 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2006449
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sn .0421(4) .0412(4) .0428(4) -.0113(3) -.0014(2) -.0091(2)
Cl1 .075(2) .0660(10) .0490(10) -.0130(10) .0060(10) -.0040(10)
Cl2 .0470(10) .0620(10) .076(2) -.0200(10) -.0010(10) -.0030(10)
N1 .065(5) .041(4) .048(4) -.018(4) .006(4) -.008(3)
N2 .042(4) .055(4) .049(4) -.017(3) -.001(3) -.006(4)
C1 .058(6) .055(6) .087(8) -.017(5) .009(6) -.006(6)
C2 .094(9) .075(8) .115(11) -.048(7) .043(9) -.021(8)
C3 .060(7) .067(7) .120(11) -.028(6) .021(7) -.032(7)
C4 .045(6) .049(5) .096(9) -.011(5) .006(6) -.027(6)
C5 .052(7) .071(7) .098(10) -.016(6) -.014(7) -.027(7)
C6 .069(8) .082(8) .073(8) -.008(6) -.025(7) -.017(7)
C7 .071(7) .075(7) .052(6) -.014(6) -.005(5) -.007(5)
C8 .043(5) .053(5) .053(5) -.012(4) -.012(4) -.015(4)
C9 .037(5) .043(4) .061(6) -.009(4) .004(4) -.016(4)
C10 .058(6) .060(6) .063(6) -.011(5) .006(5) -.009(5)
C11 .072(7) .045(5) .070(7) -.008(5) .012(6) -.008(5)
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
Sn .99616(7) .26612(6) 1.23510(9) .0449(4) Uani
Cl1 1.0683(3) .1855(3) 1.5961(4) .068(2) Uani
Cl2 1.1981(3) .3623(2) 1.1977(4) .064(2) Uani
N1 .7798(9) .2000(7) 1.1569(11) .053(5) Uani
N2 .8878(8) .3209(7) .9115(10) .050(5) Uani
C1 .7352(12) .1404(10) 1.2724(17) .069(8) Uani
C2 .5941(15) .1169(12) 1.220(2) .087(11) Uani
C3 .5038(13) .1550(12) 1.045(2) .081(10) Uani
C4 .5503(11) .2176(9) .9144(18) .067(8) Uani
C5 .4642(12) .2592(11) .726(2) .081(9) Uani
C6 .5160(14) .3193(13) .6072(19) .086(9) Uani
C7 .6545(13) .3396(11) .6624(15) .072(8) Uani
C8 .7414(10) .3003(9) .8453(14) .055(6) Uani
C9 .6906(9) .2379(8) .9742(14) .050(6) Uani
C10 1.1320(11) .0755(10) 1.1941(15) .064(7) Uani
C11 .8593(12) .4531(9) 1.2903(16) .066(7) Uani
H10A 1.1306 .0792 1.0618 .077 Uiso
H10B 1.2363 .0691 1.2324 .077 Uiso
H10C 1.0934 .0201 1.2510 .077 Uiso
H11A .8756 .4451 1.4254 .079 Uiso
H11B .8917 .5146 1.2325 .079 Uiso
H11C .7531 .4685 1.2629 .079 Uiso
H1 .7984 .1111 1.3970 .082 Uiso
H2 .5643 .0738 1.3095 .104 Uiso
H3 .4094 .1400 1.0100 .097 Uiso
H5 .3698 .2451 .6816 .097 Uiso
H6 .4552 .3486 .4814 .104 Uiso
H7 .6887 .3802 .5747 .087 Uiso
HN2A .9546 .2680 .8442 .060 Uiso
HN2B .8743 .4115 .8847 .060 Uiso
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sn C10 2.115(10) yes
Sn C11 2.122(10) yes
Sn N1 2.357(8) yes
Sn N2 2.322(7) yes
Sn Cl1 2.619(3) yes
Sn Cl2 2.547(3) yes
N1 C1 1.287(13) no
N1 C9 1.375(12) no
N1 C2 2.377(13) no
N2 C8 1.466(11) no
C1 C2 1.426(15) no
C1 C9 2.292(15) no
C1 C3 2.392(16) no
C2 C3 1.331(18) no
C2 C4 2.353(18) no
C3 C4 1.402(17) no
C4 C9 1.405(12) no
C4 C5 1.409(17) no
C4 C6 2.39(2) no
C5 C6 1.352(18) no
C6 C7 1.387(16) no
C6 C8 2.378(14) no
C7 C8 1.372(13) no
C8 C9 1.417(14) no
N2 HN2A .950 no
N2 HN2B .950 no
C2 H2 .950 no
C3 H3 .950 no
C5 H5 .950 no
C6 H6 .950 no
C7 H7 .950 no
C10 H10C .938 no
C10 H10B .958 no
C10 H10A .961 no
C11 H11B .952 no
C11 H11A .956 no
C11 H11C .957 no