data_2202368
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m870
_journal_page_last  m872
_publ_section_title
;
 Bis(diisopropylammonium) dimethyldioxalatostannate
;
loop_
_publ_author_name
  'Xu, Tao'
  'Yang, Shi-Yao'
  'Xie, Zhao-Xiong'
  'Ng, Seik Weng'
_chemical_formula_moiety  '2(C6 H16 N), (C6 H6 O8 Sn)'
_chemical_formula_sum  'C18 H38 N2 O8 Sn'
_chemical_formula_iupac  '[Sn (C6 H8 O8) 2] 2C6 H16 N'
_chemical_formula_weight  529.19
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z+1/2'
  'x+1/2, y+1/2, z'
  'x+1/2, -y+1/2, z+1/2'
  '-x, -y, -z'
  '-x, y, -z-1/2'
  '-x+1/2, -y+1/2, -z'
  '-x+1/2, y+1/2, -z-1/2'
_cell_length_a  16.4714(8)
_cell_length_b  14.0769(7)
_cell_length_c  11.0443(5)
_cell_angle_alpha  90
_cell_angle_beta  98.1280(10)
_cell_angle_gamma  90
_cell_volume  2535.1(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.387
_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 0.5000 0.34503(2) 0.7500 0.0463(2) Uani d S 1 . . Sn
  O1 0.51910(10)
  0.2258(2) 0.8775(2) 0.0516(6) Uani d . 1 . . O
  O2 0.4604(2) 0.1542(2) 1.0228(3) 0.0610(8) Uani d . 1 . . O
  O3 0.3817(2) 0.3179(2) 0.8008(2) 0.0543(7) Uani d . 1 . . O
  O4 0.3138(2) 0.2304(2) 0.9185(2) 0.0637(8) Uani d . 1 . . O
  N1 0.3279(2) 0.1588(2) 1.1708(3) 0.0454(7) Uani d . 1 . . N
  C1 0.5566(3) 0.4325(4) 0.8948(5) 0.087(2) Uani d . 1 . . C
  C2 0.4591(2) 0.2054(3) 0.9334(3) 0.0440(10)
  Uani d . 1 . . C
  C3 0.3770(2) 0.2537(3) 0.8811(3) 0.0450(10)
  Uani d . 1 . . C
  C4 0.3674(2) 0.2136(3) 1.2792(3) 0.0560(10)
  Uani d . 1 . . C
  C5 0.3824(3) 0.3126(4) 1.2363(5) 0.083(2) Uani d . 1 . . C
  C6 0.3132(3) 0.2153(4) 1.3799(4) 0.084(2) Uani d . 1 . . C
  C7 0.3056(3) 0.0568(3) 1.1890(4) 0.0630(10)
  Uani d . 1 . . C
  C8 0.3812(4) -0.0006(4) 1.2341(7) 0.114(2) Uani d . 1 . . C
  C9 0.2604(3) 0.0212(3) 1.0694(5) 0.092(2) Uani d . 1 . . C
  H1n1 0.3620 0.1604 1.1138 0.054 Uiso calc R 1 . . H
  H1n2 0.2819 0.1898 1.1395 0.054 Uiso calc R 1 . . H
  H1a 0.5422 0.4976 0.8775 0.130 Uiso calc R 1 . . H
  H1b 0.6151 0.4254 0.9024 0.130 Uiso calc R 1 . . H
  H1C 0.5382 0.4139 0.9700 0.130 Uiso calc R 1 . . H
  H4 0.4200 0.1841 1.3107 0.069 Uiso calc R 1 . . H
  H5a 0.3903 0.3548 1.3052 0.125 Uiso calc R 1 . . H
  H5b 0.3360 0.3333 1.1799 0.125 Uiso calc R 1 . . H
  H5c 0.4305 0.3130 1.1963 0.125 Uiso calc R 1 . . H
  H6a 0.3402 0.2501 1.4488 0.126 Uiso calc R 1 . . H
  H6b 0.3033 0.1514 1.4044 0.126 Uiso calc R 1 . . H
  H6c 0.2620 0.2454 1.3500 0.126 Uiso calc R 1 . . H
  H7 0.2684 0.0542 1.2508 0.076 Uiso calc R 1 . . H
  H8a 0.3657 -0.0572 1.2735 0.172 Uiso calc R 1 . . H
  H8b 0.4174 0.0365 1.2914 0.172 Uiso calc R 1 . . H
  H8c 0.4087 -0.0175 1.1661 0.172 Uiso calc R 1 . . H
  H9a 0.2282 -0.0333 1.0841 0.137 Uiso calc R 1 . . H
  H9b 0.2993 0.0038 1.0161 0.137 Uiso calc R 1 . . H
  H9c 0.2251 0.0703 1.0317 0.137 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 0.0382(2) 0.0567(3) 0.0465(2) 0.000 0.0146(2) 0.000
  O1 0.0330(10)
  0.072(2) 0.051(2) 0.0100(10)
  0.0110(10)
  0.0090(10)
  O2 0.049(2) 0.080(2) 0.054(2) 0.0070(10)
  0.0060(10)
  0.0200(10)
  O3 0.0350(10)
  0.075(2) 0.055(2) 0.0120(10)
  0.0140(10)
  0.0190(10)
  O4 0.0350(10)
  0.101(2) 0.058(2) 0.0050(10)
  0.0140(10)
  0.024(2)
  N1 0.037(2) 0.057(2) 0.042(2) 0.0000(10)
  0.0070(10)
  0.0100(10)
  C1 0.098(4) 0.083(4) 0.083(3) -0.016(3) 0.025(3) -0.038(3)
  C2 0.038(2) 0.055(2) 0.039(2) 0.000(2) 0.004(2) -0.001(2)
  C3 0.034(2) 0.065(2) 0.038(2) 0.005(2) 0.0070(10)
  0.000(2)
  C4 0.041(2) 0.081(3) 0.048(2) -0.005(2) -0.005(2) 0.001(2)
  C5 0.079(3) 0.085(3) 0.085(3) -0.035(3) 0.012(3) -0.016(3)
  C6 0.084(3) 0.122(5) 0.047(2) -0.021(3) 0.014(2) -0.009(3)
  C7 0.061(3) 0.058(3) 0.072(3) -0.006(2) 0.016(2) 0.017(2)
  C8 0.114(5) 0.079(4) 0.148(6) 0.021(3) 0.011(4) 0.043(4)
  C9 0.110(4) 0.061(3) 0.103(4) -0.022(3) 0.014(3) -0.014(3)
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 . 2.127(5) yes
  Sn1 C1 6_657 2.127(5) ?
  Sn1 O3 . 2.138(2) yes
  Sn1 O3 6_657 2.138(2) no
  Sn1 O1 . 2.185(3) yes
  Sn1 O1 6_657 2.185(3) no
  O1 C2 . 1.269(4) no
  O2 C2 . 1.220(4) no
  O3 C3 . 1.276(4) no
  O4 C3 . 1.218(4) no
  N1 C4 . 1.494(5) no
  N1 C7 . 1.503(5) no
  C2 C3 . 1.551(5) no
  C4 C5 . 1.504(6) no
  C4 C6 . 1.521(6) no
  C7 C9 . 1.508(6) no
  C7 C8 . 1.509(7) no
  N1 H1n1 . 0.90 no
  N1 H1n2 . 0.90 no
  C1 H1a . 0.96 no
  C1 H1b . 0.96 no
  C1 H1c . 0.96 no
  C4 H4 . 0.98 no
  C5 H5a . 0.96 no
  C5 H5b . 0.96 no
  C5 H5c . 0.96 no
  C6 H6a . 0.96 no
  C6 H6b . 0.96 no
  C6 H6c . 0.96 no
  C7 H7 . 0.98 no
  C8 H8a . 0.96 no
  C8 H8b . 0.96 no
  C8 H8c . 0.96 no
  C9 H9a . 0.96 no
  C9 H9b . 0.96 no
  C9 H9c . 0.96 no