data_2008861
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1429
_journal_page_last  1431
_publ_section_title
;
(N-Maleoylmethioninato)trimethyltin(IV)
;
loop_
_publ_author_name
  'Parvez, Masood'
  'Ali, Saqib'
  'Mazhar, Muhammad'
  'Bhatti, M. Hussain '
  'Choudhary, M. Aziz '
_chemical_name_common  '(N-Maleoylmethioninate) trimethyl tin'
_chemical_formula_moiety  'C12 H19 N O4 S Sn'
_chemical_formula_sum  'C12 H19 N O4 S Sn'
_chemical_formula_structural  'C12 H19 N O4 S Sn'
_chemical_formula_analytical  'C12 H19 N O4 S Sn'
_chemical_formula_iupac  '[Sn (C H3)3 (C9 H10 N O4 S)]'
_chemical_formula_weight  392.03
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  6.507(5)
_cell_length_b  9.640(3)
_cell_length_c  26.376(3)
_cell_angle_alpha  90.00
_cell_angle_beta  91.51(3)
_cell_angle_gamma  90.00
_cell_volume  1653.9(14)
_cell_formula_units_Z  4
_cell_measurement_temperature  170.0(10)
_exptl_crystal_density_diffrn  1.574
_diffrn_ambient_temperature  170.0(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 0.67627(9) -0.48241(5) 0.26956(2) 0.03477(19) Uani d . 1 . . Sn
  S1 0.7714(7) 0.0787(4) 0.46851(13) 0.0877(11) Uani d . 1 . . S
  O1 0.6083(11) -0.3458(6) 0.3314(2) 0.0515(17) Uani d . 1 . . O
  O2 0.7307(10) -0.1560(6) 0.2955(2) 0.0434(14) Uani d . 1 . . O
  O3 0.1709(14) -0.1622(10) 0.3603(4) 0.106(4) Uani d . 1 . . O
  O4 0.6711(12) -0.3415(9) 0.4616(4) 0.082(3) Uani d . 1 . . O
  N1 0.4552(11) -0.2161(7) 0.4089(3) 0.0360(15) Uani d . 1 . . N
  C1 0.5248(17) -0.6439(9) 0.3084(4) 0.055(3) Uani d . 1 . . C
  H1A 0.4500 -0.7006 0.2844 0.087(9) Uiso calc R 1 . . H
  H1B 0.4312 -0.6044 0.3320 0.087(9) Uiso calc R 1 . . H
  H1C 0.6247 -0.6996 0.3265 0.087(9) Uiso calc R 1 . . H
  C2 0.4963(14) -0.3795(9) 0.2124(4) 0.044(2) Uani d . 1 . . C
  H2A 0.5842 -0.3242 0.1918 0.087(9) Uiso calc R 1 . . H
  H2B 0.3971 -0.3208 0.2280 0.087(9) Uiso calc R 1 . . H
  H2C 0.4264 -0.4471 0.1915 0.087(9) Uiso calc R 1 . . H
  C3 0.9999(15) -0.4661(10) 0.2815(4) 0.054(2) Uani d . 1 . . C
  H3A 1.0363 -0.3707 0.2871 0.087(9) Uiso calc R 1 . . H
  H3B 1.0683 -0.5001 0.2522 0.087(9) Uiso calc R 1 . . H
  H3C 1.0411 -0.5200 0.3106 0.087(9) Uiso calc R 1 . . H
  C4 0.6544(13) -0.2164(8) 0.3312(3) 0.0371(18) Uani d . 1 . . C
  C5 0.6102(14) -0.1401(8) 0.3811(3) 0.0378(19) Uani d . 1 . . C
  H5 0.7370 -0.1490 0.4017 0.087(9) Uiso calc R 1 . . H
  C6 0.5737(17) 0.0121(10) 0.3767(4) 0.053(2) Uani d . 1 . . C
  H6A 0.4484 0.0270 0.3567 0.087(9) Uiso calc R 1 . . H
  H6B 0.6859 0.0530 0.3584 0.087(9) Uiso calc R 1 . . H
  C7 0.5552(19) 0.0865(11) 0.4264(4) 0.064(3) Uani d . 1 . . C
  H7A 0.4379 0.0487 0.4436 0.087(9) Uiso calc R 1 . . H
  H7B 0.5258 0.1834 0.4193 0.087(9) Uiso calc R 1 . . H
  C8 0.945(2) 0.197(2) 0.4385(6) 0.115(6) Uani d . 1 . . C
  H8A 0.9993 0.1537 0.4089 0.087(9) Uiso calc R 1 . . H
  H8B 1.0553 0.2199 0.4618 0.087(9) Uiso calc R 1 . . H
  H8C 0.8719 0.2796 0.4288 0.087(9) Uiso calc R 1 . . H
  C9 0.2509(15) -0.2281(10) 0.3939(4) 0.052(2) Uani d . 1 . . C
  C10 0.1623(16) -0.3404(10) 0.4247(4) 0.055(3) Uani d . 1 . . C
  H10 0.0254 -0.3682 0.4238 0.087(9) Uiso calc R 1 . . H
  C11 0.3066(16) -0.3936(10) 0.4532(4) 0.052(2) Uani d . 1 . . C
  H11 0.2905 -0.4669 0.4757 0.087(9) Uiso calc R 1 . . H
  C12 0.5034(15) -0.3189(10) 0.4442(4) 0.047(2) Uani d . 1 . . C
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 0.0424(3) 0.0248(3) 0.0375(3) -0.0006(2) 0.0088(2) 0.0008(2)
  S1 0.125(3) 0.087(2) 0.0515(18) -0.022(2) 0.0072(19) -0.0090(17)
  O1 0.086(5) 0.028(3) 0.042(4) -0.004(3) 0.021(3) -0.002(3)
  O2 0.057(4) 0.033(3) 0.040(3) -0.008(3) 0.009(3) 0.004(3)
  O3 0.078(6) 0.082(6) 0.155(10) -0.021(5) -0.055(6) 0.068(7)
  O4 0.055(5) 0.091(6) 0.098(7) -0.011(4) -0.013(4) 0.062(5)
  N1 0.041(4) 0.033(3) 0.034(4) 0.002(3) 0.004(3) 0.000(3)
  C1 0.069(7) 0.028(4) 0.070(7) 0.001(4) 0.031(5) 0.002(4)
  C2 0.041(5) 0.038(5) 0.054(6) 0.006(4) 0.003(4) 0.000(4)
  C3 0.057(6) 0.045(5) 0.061(6) 0.006(5) 0.003(5) -0.001(5)
  C4 0.047(5) 0.027(4) 0.037(5) -0.001(3) 0.004(4) 0.001(3)
  C5 0.052(5) 0.028(4) 0.034(4) -0.003(3) 0.012(4) 0.004(3)
  C6 0.068(6) 0.044(5) 0.048(5) -0.006(5) 0.008(5) -0.001(4)
  C7 0.087(8) 0.042(5) 0.065(7) -0.002(5) 0.030(6) -0.007(5)
  C8 0.098(12) 0.163(17) 0.085(11) -0.048(12) 0.015(9) -0.021(11)
  C9 0.049(6) 0.044(5) 0.063(7) 0.000(4) -0.015(5) 0.012(5)
  C10 0.048(6) 0.046(5) 0.071(7) -0.008(4) 0.000(5) 0.013(5)
  C11 0.059(6) 0.048(5) 0.050(6) -0.005(5) 0.014(5) 0.015(4)
  C12 0.051(6) 0.046(5) 0.042(5) -0.006(4) 0.004(4) 0.012(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 . 2.121(9) y
  Sn1 C3 . 2.127(10) y
  Sn1 C2 . 2.130(9) y
  Sn1 O1 . 2.152(6) y
  Sn1 O2 2_645 2.484(6) y
  S1 C7 . 1.771(13) y
  S1 C8 . 1.800(15) y
  O1 C4 . 1.283(10) n
  O2 C4 . 1.222(10) n
  O2 Sn1 2_655 2.484(6) n
  O3 C9 . 1.199(12) n
  O4 C12 . 1.193(12) n
  N1 C9 . 1.382(12) n
  N1 C12 . 1.389(11) n
  N1 C5 . 1.459(10) n
  C4 C5 . 1.542(11) n
  C5 C6 . 1.490(12) n
  C6 C7 . 1.501(13) n
  C9 C10 . 1.480(13) n
  C10 C11 . 1.293(14) n
  C11 C12 . 1.494(13) n