#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008295.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_2008295
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  310
_journal_page_last  312
_publ_section_title
;
 Diisopropylammonium oxalatotriphenylstannate
;
loop_
_publ_author_name
  'Ng, Seik Weng'
  'Hook, James M.'
_chemical_formula_moiety  '[(C~3~H~7~)~2~H~2~N] [(C~6~H~5~)~3~(C~2~O~4~)Sn]'
_chemical_formula_sum  'C26 H31 N O4 Sn'
_chemical_formula_iupac  '[N H~2~(C~3~H~7~)~2~] [Sn(C~2~O~4~)(C~6~H~5~)~3~]'
_chemical_formula_weight  540.23
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  10.3121(4)
_cell_length_b  11.3409(7)
_cell_length_c  12.7787(8)
_cell_angle_alpha  113.224(5)
_cell_angle_beta  101.056(4)
_cell_angle_gamma  102.401(4)
_cell_volume  1276.10(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.406
_diffrn_ambient_temperature  298(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
  Sn1 0.371180(10)
  0.247070(10)
  0.313330(10)
  0.03945(5) Uani d . 1 . . Sn
  O1 0.43370(10)
  0.2828(2) 0.49370(10)
  0.0492(3) Uani d . 1 . . O
  O2 0.3731(2) 0.2386(2) 0.63590(10)
  0.0615(4) Uani d . 1 . . O
  O3 0.17660(10)
  0.1618(2) 0.35130(10)
  0.0505(3) Uani d . 1 . . O
  O4 0.1019(2) 0.1201(2) 0.48910(10)
  0.0544(4) Uani d . 1 . . O
  N1 0.1582(2) 0.0499(2) 0.6814(2) 0.0456(4) Uani d . 1 . . N
  C1 0.5751(2) 0.3793(2) 0.3461(2) 0.0434(4) Uani d . 1 . . C
  C2 0.6831(2) 0.4369(2) 0.4529(2) 0.0520(5) Uani d . 1 . . C
  C3 0.8155(2) 0.5099(2) 0.4644(3) 0.0637(6) Uani d . 1 . . C
  C4 0.8433(3) 0.5240(3) 0.3680(3) 0.0683(7) Uani d . 1 . . C
  C5 0.7384(3) 0.4689(3) 0.2620(3) 0.0649(6) Uani d . 1 . . C
  C6 0.6053(2) 0.3982(2) 0.2511(2) 0.0534(5) Uani d . 1 . . C
  C7 0.3701(2) 0.0443(2) 0.2167(2) 0.0460(4) Uani d . 1 . . C
  C8 0.3726(3) -0.0057(3) 0.0997(2) 0.0600(6) Uani d . 1 . . C
  C9 0.3724(3) -0.1376(3) 0.0374(3) 0.0774(8) Uani d . 1 . . C
  C10 0.3726(3) -0.2186(3) 0.0910(3) 0.0796(9) Uani d . 1 . . C
  C11 0.3740(3) -0.1716(3) 0.2073(4) 0.0779(8) Uani d . 1 . . C
  C12 0.3709(3) -0.0407(3) 0.2700(3) 0.0620(6) Uani d . 1 . . C
  C13 0.2311(2) 0.3077(2) 0.2133(2) 0.0445(4) Uani d . 1 . . C
  C14 0.1026(2) 0.2136(3) 0.1347(2) 0.0586(6) Uani d . 1 . . C
  C15 0.0068(3) 0.2502(4) 0.0729(3) 0.0738(8) Uani d . 1 . . C
  C16 0.0366(3) 0.3811(4) 0.0901(3) 0.0752(8) Uani d . 1 . . C
  C17 0.1627(3) 0.4745(3) 0.1651(3) 0.0721(7) Uani d . 1 . . C
  C18 0.2612(3) 0.4383(2) 0.2255(2) 0.0555(5) Uani d . 1 . . C
  C19 0.3449(2) 0.2356(2) 0.5380(2) 0.0436(4) Uani d . 1 . . C
  C20 0.1935(2) 0.1668(2) 0.4535(2) 0.0421(4) Uani d . 1 . . C
  C21 0.2478(2) -0.0378(2) 0.6861(2) 0.0515(5) Uani d . 1 . . C
  C22 0.2551(4) -0.1128(3) 0.5616(3) 0.0688(7) Uani d . 1 . . C
  C23 0.1885(4) -0.1325(4) 0.7344(3) 0.0751(8) Uani d . 1 . . C
  C24 0.1347(2) 0.1379(3) 0.7944(2) 0.0542(5) Uani d . 1 . . C
  C25 0.0357(4) 0.2078(3) 0.7626(3) 0.0708(7) Uani d . 1 . . C
  C26 0.2713(4) 0.2362(4) 0.8868(3) 0.0828(9) Uani d . 1 . . C
  H1a 0.074(3) -0.005(3) 0.627(2) 0.070(10)
  Uiso d . 1 . . H
  H1b 0.194(2) 0.098(2) 0.650(2) 0.050(10)
  Uiso d . 1 . . H
  H2 0.670(2) 0.426(2) 0.522(2) 0.060(10)
  Uiso d . 1 . . H
  H3 0.883(3) 0.549(3) 0.542(2) 0.070(10)
  Uiso d . 1 . . H
  H4 0.940(3) 0.577(3) 0.376(2) 0.080(10)
  Uiso d . 1 . . H
  H5 0.756(3) 0.478(3) 0.202(3) 0.080(10)
  Uiso d . 1 . . H
  H6 0.524(3) 0.360(3) 0.172(2) 0.060(10)
  Uiso d . 1 . . H
  H8 0.374(3) 0.052(3) 0.061(3) 0.100(10)
  Uiso d . 1 . . H
  H9 0.383(4) -0.164(4) -0.039(3) 0.110(10)
  Uiso d . 1 . . H
  H10 0.376(4) -0.299(4) 0.057(3) 0.120(10)
  Uiso d . 1 . . H
  H11 0.375(3) -0.218(3) 0.248(3) 0.090(10)
  Uiso d . 1 . . H
  H12 0.370(3) -0.014(3) 0.343(3) 0.070(10)
  Uiso d . 1 . . H
  H14 0.084(3) 0.126(3) 0.128(2) 0.080(10)
  Uiso d . 1 . . H
  H15 -0.080(3) 0.186(3) 0.022(2) 0.070(10)
  Uiso d . 1 . . H
  H16 -0.026(3) 0.401(3) 0.044(3) 0.090(10)
  Uiso d . 1 . . H
  H17 0.189(3) 0.563(3) 0.182(3) 0.090(10)
  Uiso d . 1 . . H
  H18 0.354(3) 0.510(3) 0.278(2) 0.060(10)
  Uiso d . 1 . . H
  H21 0.335(3) 0.027(2) 0.737(2) 0.060(10)
  Uiso d . 1 . . H
  H22a 0.285(3) -0.056(3) 0.529(3) 0.090(10)
  Uiso d . 1 . . H
  H22b 0.311(3) -0.165(3) 0.558(3) 0.080(10)
  Uiso d . 1 . . H
  H22c 0.165(3) -0.172(3) 0.500(3) 0.080(10)
  Uiso d . 1 . . H
  H23a 0.192(3) -0.080(3) 0.817(3) 0.080(10)
  Uiso d . 1 . . H
  H23b 0.100(4) -0.189(4) 0.682(3) 0.110(10)
  Uiso d . 1 . . H
  H23c 0.246(4) -0.185(4) 0.737(3) 0.110(10)
  Uiso d . 1 . . H
  H24 0.091(3) 0.083(3) 0.824(2) 0.060(10)
  Uiso d . 1 . . H
  H25a -0.052(3) 0.143(3) 0.702(3) 0.090(10)
  Uiso d . 1 . . H
  H25b 0.019(3) 0.258(3) 0.827(3) 0.090(10)
  Uiso d . 1 . . H
  H25c 0.074(4) 0.256(3) 0.722(3) 0.100(10)
  Uiso d . 1 . . H
  H26a 0.333(4) 0.184(3) 0.902(3) 0.090(10)
  Uiso d . 1 . . H
  H26b 0.316(3) 0.291(3) 0.853(3) 0.090(10)
  Uiso d . 1 . . H
  H26c 0.260(3) 0.292(3) 0.948(3) 0.100(10)
  Uiso d . 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 0.03440(10)
  0.04330(10)
  0.03860(10)
  0.00780(10)
  0.00990(10)
  0.01960(10)
  O1 0.0390(10)
  0.0590(10)
  0.0430(10)
  0.0070(10)
  0.0090(10)
  0.0240(10)
  O2 0.0580(10)
  0.0810(10)
  0.0500(10)
  0.0160(10)
  0.0110(10)
  0.0390(10)
  O3 0.0370(10)
  0.0730(10)
  0.0480(10)
  0.0180(10)
  0.0120(10)
  0.0370(10)
  O4 0.0450(10)
  0.0700(10)
  0.0560(10)
  0.0110(10)
  0.0180(10)
  0.0400(10)
  N1 0.0460(10)
  0.0540(10)
  0.0450(10)
  0.0150(10)
  0.0160(10)
  0.0300(10)
  C1 0.0390(10)
  0.0380(10)
  0.0500(10)
  0.0100(10)
  0.0140(10)
  0.0180(10)
  C2 0.0440(10)
  0.0470(10)
  0.0550(10)
  0.0100(10)
  0.0110(10)
  0.0180(10)
  C3 0.0420(10)
  0.0530(10)
  0.076(2) 0.0050(10)
  0.0020(10)
  0.0220(10)
  C4 0.0460(10)
  0.0520(10)
  0.101(2) 0.0060(10)
  0.0250(10)
  0.0330(10)
  C5 0.062(2) 0.0590(10)
  0.077(2) 0.0090(10)
  0.0330(10)
  0.0340(10)
  C6 0.0530(10)
  0.0490(10)
  0.0540(10)
  0.0090(10)
  0.0180(10)
  0.0220(10)
  C7 0.0340(10)
  0.0430(10)
  0.0540(10)
  0.0060(10)
  0.0110(10)
  0.0190(10)
  C8 0.0540(10)
  0.0590(10)
  0.0550(10)
  0.0160(10)
  0.0130(10)
  0.0170(10)
  C9 0.064(2) 0.069(2) 0.068(2) 0.0220(10)
  0.0130(10)
  0.0040(10)
  C10 0.0510(10)
  0.0480(10)
  0.103(2) 0.0140(10)
  0.0090(10)
  0.008(2)
  C11 0.060(2) 0.057(2) 0.117(3) 0.0160(10)
  0.018(2) 0.045(2)
  C12 0.0560(10)
  0.0560(10)
  0.076(2) 0.0140(10)
  0.0220(10)
  0.0330(10)
  C13 0.0410(10)
  0.0550(10)
  0.0420(10)
  0.0120(10)
  0.0130(10)
  0.0280(10)
  C14 0.0450(10)
  0.0680(10)
  0.0610(10)
  0.0040(10)
  0.0070(10)
  0.0400(10)
  C15 0.0410(10)
  0.107(2) 0.075(2) 0.0080(10)
  0.0050(10)
  0.058(2)
  C16 0.063(2) 0.111(2) 0.083(2) 0.040(2) 0.0250(10)
  0.067(2)
  C17 0.084(2) 0.071(2) 0.079(2) 0.033(2) 0.025(2) 0.046(2)
  C18 0.0580(10)
  0.0570(10)
  0.0510(10)
  0.0140(10)
  0.0140(10)
  0.0270(10)
  C19 0.0460(10)
  0.0440(10)
  0.0430(10)
  0.0150(10)
  0.0140(10)
  0.0220(10)
  C20 0.0420(10)
  0.0470(10)
  0.0450(10)
  0.0160(10)
  0.0160(10)
  0.0270(10)
  C21 0.0410(10)
  0.0610(10)
  0.0570(10)
  0.0160(10)
  0.0140(10)
  0.0330(10)
  C22 0.075(2) 0.070(2) 0.073(2) 0.036(2) 0.030(2) 0.034(2)
  C23 0.081(2) 0.089(2) 0.091(2) 0.040(2) 0.034(2) 0.066(2)
  C24 0.0520(10)
  0.0710(10)
  0.0480(10)
  0.0210(10)
  0.0210(10)
  0.0330(10)
  C25 0.075(2) 0.078(2) 0.066(2) 0.038(2) 0.026(2) 0.030(2)
  C26 0.069(2) 0.100(2) 0.051(2) 0.024(2) 0.0130(10)
  0.011(2)
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 . 2.159(2) yes
  Sn1 C7 . 2.134(2) yes
  Sn1 C13 . 2.146(2) yes
  Sn1 O1 . 2.1150(10)
  yes
  Sn1 O3 . 2.2600(10)
  yes
  O1 C19 . 1.293(2) no
  O2 C19 . 1.214(2) no
  O3 C20 . 1.260(2) no
  O4 C20 . 1.232(2) no
  N1 C24 . 1.497(3) no
  N1 C21 . 1.506(3) no
  C1 C2 . 1.389(3) no
  C1 C6 . 1.392(3) no
  C2 C3 . 1.383(3) no
  C3 C4 . 1.378(4) no
  C4 C5 . 1.369(4) no
  C5 C6 . 1.383(3) no
  C7 C8 . 1.382(3) no
  C7 C12 . 1.383(3) no
  C8 C9 . 1.389(4) no
  C9 C10 . 1.345(5) no
  C10 C11 . 1.362(5) no
  C11 C12 . 1.393(4) no
  C13 C18 . 1.385(3) no
  C13 C14 . 1.393(3) no
  C14 C15 . 1.381(3) no
  C15 C16 . 1.366(4) no
  C16 C17 . 1.364(4) no
  C17 C18 . 1.387(4) no
  C19 C20 . 1.542(3) no
  C21 C22 . 1.506(4) no
  C21 C23 . 1.514(3) no
  C24 C26 . 1.507(4) no
  C24 C25 . 1.509(4) no
  N1 O2 . 3.044(3) no
  N1 O4 . 2.864(3) no
  N1 O4 2_556 2.808(3) no