#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010439.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_2010439
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  236
_journal_page_last  238
_publ_section_title
;
Tris(4-tert-butylphenyl)chlorotin(IV)
;
_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_
_publ_author_name
  'Wharf, I.'
  'Simard, M.G.'
  'McGinn, K.'
_chemical_formula_moiety  'C30 H39 Cl1 Sn1'
_chemical_formula_sum            'C30 H39 Cl Sn'
_[local]_cod_chemical_formula_sum_orig 'C30 H39 Cl1 Sn1'
_chemical_formula_weight  553.77
_symmetry_cell_setting  monoclinic
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  20.503(3)
_cell_length_b  13.436(2)
_cell_length_c  22.916(4)
_cell_angle_alpha  90.
_cell_angle_beta  112.357(14)
_cell_angle_gamma  90.
_cell_volume  5838.3(16)
_cell_formula_units_Z  8
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.260
_refine_ls_R_factor_obs  0.051
_refine_ls_wR_factor_obs  0.054
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Sn .79476(2) .36542(3) .12076(2)
  Cl .83105(11) .47425(15) .20750(9)
  C(10) .7767(3) .4563(4) .0417(3)
  C(11) .8103(3) .4365(4) -.0002(3)
  C(12) .7980(3) .4926(4) -.0530(3)
  C(13) .7514(3) .5720(4) -.0693(2)
  C(14) .7173(3) .5916(5) -.0287(3)
  C(15) .7301(3) .5347(4) .0257(3)
  C(16) .7366(4) .6322(4) -.1275(3)
  C(17) .7572(11) .5858(11) -.1725(5)
  C(18) .7677(10) .7293(10) -.1110(5)
  C(19) .6615(7) .6479(13) -.1629(6)
  C(20) .7016(3) .2938(4) .1183(2)
  C(21) .6405(3) .2994(5) .0645(3)
  C(22) .5795(3) .2499(5) .0609(3)
  C(23) .5765(3) .1948(4) .1103(3)
  C(24) .6383(3) .1874(5) .1642(3)
  C(25) .6992(3) .2366(4) .1672(3)
  C(26) .5096(3) .1389(4) .1071(3)
  C(27) .4451(4) .1753(7) .0531(4)
  C(28) .4984(4) .1537(7) .1680(4)
  C(29) .5195(4) .0300(6) .0981(5)
  C(30) .8796(3) .2675(4) .1350(3)
  C(31) .8697(3) .1729(5) .1144(3)
  C(32) .9245(3) .1095(4) .1192(3)
  C(33) .9936(3) .1394(4) .1452(3)
  C(34) 1.0037(3) .2339(5) .1656(4)
  C(35) .9494(3) .2980(5) .1622(4)
  C(36) 1.0533(3) .0697(5) .1489(3)
  C(37) 1.0410(4) -.0332(6) .1660(5)
  C(38) 1.1233(4) .1055(6) .1979(5)
  C(39) 1.0595(6) .0698(9) .0849(5)
  H(11) .843 .383 .008
  H(12) .822 .477 -.080
  H(14) .685 .645 -.037
  H(15) .705 .550 .052
  H(171) .745 .630 -.207
  H(172) .807 .574 -.156
  H(173) .730 .527 -.186
  H(181) .763 .762 -.149
  H(182) .758 .764 -.079
  H(183) .816 .713 -.095
  H(191) .662 .694 -.194
  H(192) .633 .590 -.178
  H(193) .649 .693 -.137
  H(21) .640 .338 .030
  H(22) .538 .254 .023
  H(24) .638 .149 .199
  H(25) .741 .230 .204
  H(271) .405 .139 .052
  H(272) .438 .244 .058
  H(273) .451 .165 .014
  H(281) .457 .120 .167
  H(282) .538 .130 .203
  H(283) .494 .223 .175
  H(291) .479 -.006 .097
  H(292) .528 .019 .061
  H(293) .559 .007 .133
  H(31) .823 .150 .095
  H(32) .914 .043 .104
  H(34) 1.051 .257 .184
  H(35) .960 .363 .179
  H(371) 1.079 -.076 .169
  H(372) 1.037 -.032 .206
  H(373) .998 -.059 .136
  H(381) 1.160 .061 .201
  H(382) 1.134 .170 .188
  H(383) 1.120 .107 .238
  H(391) 1.096 .027 .085
  H(392) 1.016 .048 .054
  H(393) 1.069 .136 .075
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sn Cl . . 2.349(2) yes
  Sn C(10) . . 2.098(6) yes
  Sn C(20) . . 2.119(5) yes
  Sn C(30) . . 2.106(5) yes
  C(10) C(11) . . 1.401(7) no
  C(10) C(15) . . 1.375(8) no
  C(11) C(12) . . 1.366(8) no
  C(12) C(13) . . 1.384(8) no
  C(13) C(14) . . 1.385(8) no
  C(14) C(15) . . 1.399(9) no
  C(13) C(16) . . 1.490(8) no
  C(16) C(17) . . 1.398(12) no
  C(16) C(18) . . 1.439(12) no
  C(16) C(19) . . 1.457(14) no
  C(20) C(21) . . 1.387(8) no
  C(20) C(25) . . 1.376(7) no
  C(21) C(22) . . 1.391(8) no
  C(22) C(23) . . 1.375(8) no
  C(23) C(24) . . 1.397(8) no
  C(24) C(25) . . 1.390(8) no
  C(23) C(26) . . 1.541(8) no
  C(26) C(27) . . 1.507(10) no
  C(26) C(28) . . 1.511(11) no
  C(26) C(29) . . 1.502(10) no
  C(30) C(31) . . 1.343(8) no
  C(30) C(35) . . 1.388(8) no
  C(31) C(32) . . 1.382(9) no
  C(32) C(33) . . 1.370(8) no
  C(33) C(34) . . 1.342(9) no
  C(34) C(35) . . 1.385(9) no
  C(33) C(36) . . 1.518(8) no
  C(36) C(37) . . 1.484(11) no
  C(36) C(38) . . 1.525(11) no
  C(36) C(39) . . 1.520(11) no
_cod_database_code 2010439