#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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
_journal_name_full 'Acta Crystallographica Section C'
_journal_year   1997
_journal_volume 53
_journal_page_first   1226
_journal_page_last   1228
_publ_section_title
;
(8-Aminoquinoline-N,N')dichlorodimethyltin(IV)
;
loop_
_publ_author_name
  'Alan Hazell'
  'Kar Fong Thong'
  'Jiexiang Ouyang'
  'Lian Ee Khoo'
_chemical_formula_sum   'C11 H14 Cl2 N2 Sn'
_chemical_formula_structural   '[SnCl2(CH3)2(C9H8N2)]'
_chemical_formula_iupac   '[Sn Cl2 (C H3)2 (C9 H8 N2)]'
_chemical_formula_weight   363.84
_chemical_melting_point   '399-402'
_symmetry_cell_setting   triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall   '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  '+x,+y,+z'
  '-x,-y,-z'
_cell_length_a   9.678(8)
_cell_length_b   10.701(9)
_cell_length_c   7.280(6)
_cell_angle_alpha   90.15(5)
_cell_angle_beta   104.32(5)
_cell_angle_gamma   71.59(5)
_cell_volume   691.0(10)
_cell_formula_units_Z   2
_cell_measurement_temperature   294
_exptl_crystal_density_diffrn   1.749
_diffrn_ambient_temperature   294
_refine_ls_R_factor_obs  .055
_refine_ls_wR_factor_obs  .066
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) Uij
  Cl1 1.0683(3)  .1855(3) 1.5961(4)  .068(2) Uij
  Cl2 1.1981(3)  .3623(2) 1.1977(4)  .064(2) Uij
  N1  .7798(9)  .2000(7) 1.1569(11)  .053(5) Uij
  N2  .8878(8)  .3209(7)  .9115(10)  .050(5) Uij
  C1  .7352(12)  .1404(10) 1.2724(17)  .069(8) Uij
  C2  .5941(15)  .1169(12) 1.220(2)  .087(11) Uij
  C3  .5038(13)  .1550(12) 1.045(2)  .081(10) Uij
  C4  .5503(11)  .2176(9)  .9144(18)  .067(8) Uij
  C5  .4642(12)  .2592(11)  .726(2)  .081(9) Uij
  C6  .5160(14)  .3193(13)  .6072(19)  .086(9) Uij
  C7  .6545(13)  .3396(11)  .6624(15)  .072(8) Uij
  C8  .7414(10)  .3003(9)  .8453(14)  .055(6) Uij
  C9  .6906(9)  .2379(8)  .9742(14)  .050(6) Uij
  C10 1.1320(11)  .0755(10) 1.1941(15)  .064(7) Uij
  C11  .8593(12)  .4531(9) 1.2903(16)  .066(7) Uij
  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_
_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_
_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
_cod_database_code 2006449