#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200371.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_2200371
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m256
_journal_page_last  m258
_publ_section_title
;
Tetramethylammonium dichlorotriphenylplumbate
;
loop_
_publ_author_name
  'Howie, R. Alan' .
  'Wardell, James L.'
_chemical_formula_moiety  'C4 H12 N 1+, C18 H15 Cl2 Pb 1-'
_chemical_formula_sum  'C22 H27 Cl2 N Pb'
_chemical_formula_iupac  '(C4 H12 N1) [Pb Cl2 (C6 H5)3]'
_chemical_formula_weight  583.54
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'I 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z'
  'x+1/2, y+1/2, z+1/2'
  '-x+1/2, y+1/2, -z+1/2'
_cell_length_a  10.3759(3)
_cell_length_b  9.7074(3)
_cell_length_c  10.8400(3)
_cell_angle_alpha  90.00
_cell_angle_beta  92.4320(10)
_cell_angle_gamma  90.00
_cell_volume  1090.85(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  100(2)
_exptl_crystal_density_diffrn  1.777
_diffrn_ambient_temperature  100(2)
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
  Pb1  .5000  .4964  .5000  .00950(11) Uani d S 1 . . Pb
  Cl1  .25618(13)  .5062(5)  .39506(13)  .0136(4) Uani d . 1 . . Cl
  C1  .5000  .2682(10)  .5000  .0100(18) Uani d S 1 . . C
  C2  .5743(7)  .1958(8)  .5884(6)  .0129(13) Uani d . 1 . . C
  H2  .6264  .2445  .6480  .015 Uiso calc R 1 . . H
  C3  .5724(7)  .0536(9)  .5895(7)  .0153(14) Uani d . 1 . . C
  H3  .6207  .0046  .6517  .018 Uiso calc R 1 . . H
  C4  .5000  -.0179(16)  .5000  .017(2) Uiso d S 1 . . C
  H4  .5000  -.1157  .5000  .020 Uiso calc SR 1 . . H
  C5  .5661(7)  .6038(8)  .3354(6)  .0123(13) Uani d . 1 . . C
  C6  .4918(7)  .7061(7)  .2786(6)  .0115(13) Uani d . 1 . . C
  H6  .4112  .7311  .3106  .014 Uiso calc R 1 . . H
  C7  .5365(8)  .7731(8)  .1727(7)  .0161(15) Uani d . 1 . . C
  H7  .4879  .8460  .1353  .019 Uiso calc R 1 . . H
  C8  .6510(8)  .7322(9)  .1240(7)  .0165(15) Uani d . 1 . . C
  H8  .6805  .7761  .0521  .020 Uiso calc R 1 . . H
  C9  .7239(7)  .6265(9)  .1798(7)  .0155(15) Uani d . 1 . . C
  H9  .8023  .5984  .1452  .019 Uiso calc R 1 . . H
  C10  .6826(7)  .5625(8)  .2855(6)  .0123(13) Uani d . 1 . . C
  H10  .7327  .4913  .3238  .015 Uiso calc R 1 . . H
  N1  .0000  .8165(10)  .5000  .0175(18) Uani d S 1 . . N
  C11  .0687(10)  .7292(11)  .5931(8)  .029(2) Uani d . 1 . . C
  H11A  .0064  .6715  .6347  .043 Uiso calc R 1 . . H
  H11B  .1145  .7879  .6541  .043 Uiso calc R 1 . . H
  H11C  .1308  .6704  .5524  .043 Uiso calc R 1 . . H
  C12  .0927(11)  .9040(11)  .4348(9)  .037(2) Uani d . 1 . . C
  H12A  .1536  .8452  .3925  .055 Uiso calc R 1 . . H
  H12B  .1401  .9626  .4948  .055 Uiso calc R 1 . . H
  H12C  .0457  .9620  .3742  .055 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
  Pb1  .00869(14)  .01444(16)  .00520(14)  .000  -.00173(9)  .000
  Cl1  .0087(5)  .0218(11)  .0100(6)  .0006(13)  -.0047(4)  .0023(14)
  C1  .013(4)  .012(5)  .005(4)  .000  -.001(3)  .000
  C2  .012(3)  .016(4)  .011(3)  .001(3)  -.001(2)  -.001(3)
  C3  .012(3)  .024(3)  .009(3)  .003(3)  -.003(3)  .007(3)
  C5  .013(3)  .018(4)  .006(3)  -.004(3)  -.002(2)  -.003(2)
  C6  .016(3)  .008(3)  .010(3)  .001(3)  .000(3)  .001(2)
  C7  .021(4)  .014(4)  .012(4)  -.002(3)  -.007(3)  .004(3)
  C8  .017(4)  .026(4)  .006(3)  -.007(3)  -.002(3)  .003(3)
  C9  .010(3)  .027(4)  .009(3)  -.004(3)  -.002(3)  -.005(3)
  C10  .012(3)  .015(3)  .009(3)  -.003(3)  -.008(3)  .000(3)
  N1  .020(4)  .018(5)  .013(4)  .000  -.008(3)  .000
  C11  .036(5)  .038(5)  .011(4)  .021(4)  -.006(4)  .004(4)
  C12  .045(6)  .033(5)  .031(5)  -.024(5)  -.009(4)  .004(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
  Pb1 C5 2_656 2.201(7) ?
  Pb1 C5 . 2.201(7) ?
  Pb1 C1 . 2.215(10) ?
  Pb1 Cl1 2_656 2.7312(14) ?
  Pb1 Cl1 . 2.7312(14) ?
  C1 C2 2_656 1.394(9) ?
  C1 C2 . 1.394(9) ?
  C2 C3 . 1.381(12) ?
  C2 H2 .  .9500 ?
  C3 C4 . 1.387(11) ?
  C3 H3 .  .9500 ?
  C4 C3 2_656 1.387(11) ?
  C4 H4 .  .9500 ?
  C5 C6 . 1.386(10) ?
  C5 C10 . 1.403(10) ?
  C6 C7 . 1.415(10) ?
  C6 H6 .  .9500 ?
  C7 C8 . 1.378(12) ?
  C7 H7 .  .9500 ?
  C8 C9 . 1.397(12) ?
  C8 H8 .  .9500 ?
  C9 C10 . 1.388(10) ?
  C9 H9 .  .9500 ?
  C10 H10 .  .9500 ?
  N1 C11 2_556 1.478(10) ?
  N1 C11 . 1.478(10) ?
  N1 C12 . 1.485(11) ?
  N1 C12 2_556 1.485(11) ?
  C11 H11A .  .9800 ?
  C11 H11B .  .9800 ?
  C11 H11C .  .9800 ?
  C12 H12A .  .9800 ?
  C12 H12B .  .9800 ?
  C12 H12C .  .9800 ?