data_2011645
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e554
_journal_page_last  e554
_publ_section_title
;
Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150 K
;
loop_
_publ_author_name
  'Low, John Nicolson'
  'Wardell, J.'
  'Bomfim, Jo\~ao a. S.'
  'Wardell, Solange M. S. V.'
_chemical_name_common  'Chlorotrineophylstannane'
_chemical_formula_moiety  'C30 H39 Cl Sn'
_chemical_formula_sum  'C30 H39 Cl Sn'
_chemical_formula_iupac  '[Sn Cl (C10 H13)3]'
_chemical_formula_weight  553.75
_symmetry_cell_setting  cubic
_symmetry_space_group_name_H-M  'I -4 3 d'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'y, z, x'
  'z, x, y'
  'y+3/4, -x+1/4, -z+3/4'
  'z+3/4, -y+1/4, -x+3/4'
  'x+3/4, -z+1/4, -y+3/4'
  '-x, -y+1/2, z'
  '-z+1/2, x, -y'
  '-x+1/2, y, -z'
  '-y, -z+1/2, x'
  '-z, -x+1/2, y'
  '-y+1/4, x+1/4, -z+3/4'
  '-z+1/4, y+1/4, -x+3/4'
  '-x+1/4, z+1/4, -y+3/4'
  '-y+1/2, z, -x'
  'z+3/4, y+3/4, x+3/4'
  'x+3/4, z+3/4, y+3/4'
  'y+3/4, x+3/4, z+3/4'
  'y+1/2, -z+1/2, -x'
  '-y+3/4, -x+1/4, z+1/4'
  '-z+3/4, -y+1/4, x+1/4'
  '-x+3/4, -z+1/4, y+1/4'
  'x+1/2, -y+1/2, -z'
  'z+1/2, -x+1/2, -y'
  'x+1/2, y+1/2, z+1/2'
  'y+1/2, z+1/2, x+1/2'
  'z+1/2, x+1/2, y+1/2'
  'y+5/4, -x+3/4, -z+5/4'
  'z+5/4, -y+3/4, -x+5/4'
  'x+5/4, -z+3/4, -y+5/4'
  '-x+1/2, -y+1, z+1/2'
  '-z+1, x+1/2, -y+1/2'
  '-x+1, y+1/2, -z+1/2'
  '-y+1/2, -z+1, x+1/2'
  '-z+1/2, -x+1, y+1/2'
  '-y+3/4, x+3/4, -z+5/4'
  '-z+3/4, y+3/4, -x+5/4'
  '-x+3/4, z+3/4, -y+5/4'
  '-y+1, z+1/2, -x+1/2'
  'z+5/4, y+5/4, x+5/4'
  'x+5/4, z+5/4, y+5/4'
  'y+5/4, x+5/4, z+5/4'
  'y+1, -z+1, -x+1/2'
  '-y+5/4, -x+3/4, z+3/4'
  '-z+5/4, -y+3/4, x+3/4'
  '-x+5/4, -z+3/4, y+3/4'
  'x+1, -y+1, -z+1/2'
  'z+1, -x+1, -y+1/2'
_cell_length_a  22.3858(4)
_cell_length_b  22.3858(4)
_cell_length_c  22.3858(4)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  11218.1(3)
_cell_formula_units_Z  16
_cell_measurement_temperature  150.00(10)
_exptl_crystal_density_diffrn  1.311
_diffrn_ambient_temperature  150.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Sn1  .402092(13)  .597908(13)  .097908(13)  .0578(2) Uani d S 1 . . Sn
  Cl1  .34066(7)  .65934(7)  .15934(7)  .1127(13) Uani d S 1 . . Cl
  C1  .3382(2)  .5305(2)  .0735(3)  .0739(14) Uani d . 1 . . C
  C2  .3405(3)  .4703(3)  .1068(2)  .0796(17) Uani d . 1 . . C
  C3  .3289(5)  .4824(5)  .1742(3)  .147(5) Uani d . 1 . . C
  C4  .2920(3)  .4299(4)  .0823(3)  .100(3) Uani d . 1 . . C
  C5  .4002(3)  .4399(2)  .0977(2)  .0725(14) Uani d . 1 . . C
  C6  .4251(3)  .4369(3)  .0412(3)  .0750(15) Uani d . 1 . . C
  C7  .4779(3)  .4084(3)  .0254(4)  .096(2) Uani d . 1 . . C
  C8  .5078(5)  .3803(4)  .0657(4)  .119(3) Uani d . 1 . . C
  C9  .4916(5)  .3788(3)  .1219(5)  .110(3) Uani d . 1 . . C
  C10  .4365(6)  .4099(3)  .1415(4)  .131(4) Uani d . 1 . . C
  H1A  .2978  .5476  .0791  .089 Uiso calc R 1 . . H
  H1B  .3431  .5223  .0303  .089 Uiso calc R 1 . . H
  H3A  .3218  .4444  .1948  .220 Uiso calc R 1 . . H
  H3B  .2937  .5081  .1786  .220 Uiso calc R 1 . . H
  H3C  .3637  .5022  .1917  .220 Uiso calc R 1 . . H
  H4A  .2983  .4239  .0394  .150 Uiso calc R 1 . . H
  H4B  .2529  .4484  .0888  .150 Uiso calc R 1 . . H
  H4C  .2935  .3912  .1028  .150 Uiso calc R 1 . . H
  H6  .4039  .4564  .0100  .090 Uiso calc R 1 . . H
  H7  .4917  .4095  -.0147  .115 Uiso calc R 1 . . H
  H8  .5432  .3600  .0542  .143 Uiso calc R 1 . . H
  H9  .5151  .3576  .1501  .132 Uiso calc R 1 . . H
  H10  .4253  .4100  .1824  .157 Uiso calc R 1 . . H
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
  Sn1  .0578(2)  .0578(2)  .0578(2)  .00548(14)  .00548(14)  -.00548(14)
  Cl1  .1127(13)  .1127(13)  .1127(13)  .0326(10)  .0326(10)  -.0326(10)
  C1  .060(3)  .089(4)  .072(3)  -.015(3)  .009(2)  -.007(3)
  C2  .094(4)  .083(3)  .061(3)  -.037(3)  .028(3)  -.010(3)
  C3  .221(10)  .139(7)  .081(5)  -.093(7)  .091(6)  -.035(4)
  C4  .091(5)  .112(5)  .097(5)  -.047(4)  .039(4)  -.032(4)
  C5  .105(4)  .056(2)  .057(3)  -.025(3)  -.022(4)  -.003(2)
  C6  .064(3)  .077(4)  .084(4)  -.015(3)  .002(3)  -.014(3)
  C7  .089(4)  .089(4)  .109(5)  -.008(4)  .003(4)  -.007(4)
  C8  .164(9)  .092(5)  .100(6)  -.040(6)  -.026(6)  -.012(5)
  C9  .127(6)  .053(3)  .151(8)  -.001(4)  -.070(6)  .002(4)
  C10  .225(11)  .072(4)  .095(5)  -.043(6)  -.054(6)  .010(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Sn1 C1 . 2.149(5) no
  Sn1 C1 35_554 2.149(5) no
  Sn1 C1 39 2.149(5) no
  Sn1 Cl1 . 2.382(3) no
  C1 C2 . 1.541(8) no
  C1 H1A .  .9900 no
  C1 H1B .  .9900 no
  C2 C5 . 1.513(9) no
  C2 C4 . 1.517(9) no
  C2 C3 . 1.555(8) no
  C3 H3A .  .9800 no
  C3 H3B .  .9800 no
  C3 H3C .  .9800 no
  C4 H4A .  .9800 no
  C4 H4B .  .9800 no
  C4 H4C .  .9800 no
  C5 C6 . 1.385(9) no
  C5 C10 . 1.439(11) no
  C6 C7 . 1.389(9) no
  C6 H6 .  .9500 no
  C7 C8 . 1.288(11) no
  C7 H7 .  .9500 no
  C8 C9 . 1.310(14) no
  C8 H8 .  .9500 no
  C9 C10 . 1.483(15) no
  C9 H9 .  .9500 no
  C10 H10 .  .9500 no