data_2010716
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  327
_journal_page_last  328
_publ_section_title
;
(N-Maleoylglycinato)trimethyltin(IV)
;
loop_
_publ_author_name
  'Parvez, Masood'
  'Bhatti, Moazzam Hussain'
  'Ali, Saqib'
  'Mazhar, Muhammad'
  'Qureshi, Sajid Iqbal'
_chemical_name_common  '(N-Maleoylglycinate)trimethyltin(IV)'
_chemical_formula_moiety  '[Sn (CH3)3 (C6 H4 NO4)]'
_chemical_formula_sum  'C9 H13 N O4 Sn'
_chemical_formula_iupac  '[Sn (CH3)3 (C6 H4 NO4)]'
_chemical_formula_weight  317.89
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  6.5848(15)
_cell_length_b  9.991(4)
_cell_length_c  19.688(6)
_cell_angle_alpha  90.00
_cell_angle_beta  93.31(3)
_cell_angle_gamma  90.00
_cell_volume  1293.1(7)
_cell_formula_units_Z  4
_cell_measurement_temperature  170(2)
_exptl_crystal_density_diffrn  1.633
_diffrn_ambient_temperature  170(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  .43129(7)  .43723(5)  .71962(2)  .02729(18) Uani d . 1 . . Sn
  O1  .3498(9)  .2800(5)  .6442(3)  .0349(13) Uani d . 1 . . O
  O2  .4945(9)  .1244(6)  .7103(3)  .0390(13) Uani d . 1 . . O
  O3  .4406(9)  .1879(8)  .4785(3)  .0539(17) Uani d . 1 . . O
  O4  -.0976(12)  .0980(9)  .6040(4)  .071(2) Uani d . 1 . . O
  N1  .2030(11)  .1115(7)  .5502(3)  .0352(15) Uani d . 1 . . N
  C1  .2687(15)  .5749(9)  .6554(5)  .045(2) Uani d . 1 . . C
  H1A  .3637  .6224  .6274  .068 Uiso calc R 1 . . H
  H1B  .1984  .6395  .6833  .068 Uiso calc R 1 . . H
  H1C  .1688  .5266  .6259  .068 Uiso calc R 1 . . H
  C2  .7494(14)  .4166(11)  .7079(7)  .061(3) Uani d . 1 . . C
  H2A  .8215  .4135  .7528  .092 Uiso calc R 1 . . H
  H2B  .7981  .4931  .6822  .092 Uiso calc R 1 . . H
  H2C  .7749  .3337  .6831  .092 Uiso calc R 1 . . H
  C3  .2775(13)  .3479(9)  .7987(4)  .0392(19) Uani d . 1 . . C
  H3A  .3758  .3021  .8299  .059 Uiso calc R 1 . . H
  H3B  .1785  .2829  .7795  .059 Uiso calc R 1 . . H
  H3C  .2065  .4170  .8235  .059 Uiso calc R 1 . . H
  C4  .3995(12)  .1603(7)  .6567(4)  .0300(16) Uani d . 1 . . C
  C5  .3382(15)  .0570(9)  .6037(4)  .044(2) Uani d . 1 . . C
  H5A  .4617  .0215  .5836  .052 Uiso calc R 1 . . H
  H5B  .2698  -.0184  .6257  .052 Uiso calc R 1 . . H
  C6  .2685(12)  .1827(9)  .4956(4)  .0355(17) Uani d . 1 . . C
  C7  .0836(13)  .2479(10)  .4630(5)  .046(2) Uani d . 1 . . C
  H7  .0791  .2999  .4226  .055 Uiso calc R 1 . . H
  C8  -.0712(13)  .2215(11)  .4996(5)  .049(2) Uani d . 1 . . C
  H8  -.2068  .2515  .4900  .058 Uiso calc R 1 . . H
  C9  -.0020(14)  .1382(10)  .5579(5)  .043(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  .0307(3)  .0246(3)  .0259(3)  .0004(2)  -.00420(17)  .0013(2)
  O1  .056(4)  .029(3)  .019(3)  .005(2)  -.005(2)  .000(2)
  O2  .054(4)  .031(3)  .031(3)  .008(3)  -.006(3)  .003(2)
  O3  .036(3)  .078(5)  .048(4)  .005(3)  .004(3)  -.004(4)
  O4  .073(5)  .074(6)  .068(5)  -.013(4)  .028(4)  .016(4)
  N1  .040(4)  .034(3)  .031(3)  .002(3)  -.004(3)  -.003(3)
  C1  .055(5)  .030(4)  .049(5)  .005(4)  -.019(4)  .008(4)
  C2  .033(5)  .062(7)  .090(8)  .003(5)  .007(5)  .000(6)
  C3  .042(5)  .034(4)  .043(5)  -.005(4)  .008(4)  .002(4)
  C4  .040(4)  .025(4)  .025(4)  .006(3)  .000(3)  -.001(3)
  C5  .067(6)  .028(4)  .034(4)  .009(4)  -.011(4)  -.003(4)
  C6  .032(4)  .044(5)  .029(4)  .002(4)  -.003(3)  -.008(4)
  C7  .036(5)  .061(6)  .040(5)  .008(4)  -.005(4)  .011(4)
  C8  .027(4)  .068(7)  .051(5)  .005(4)  -.005(4)  .001(5)
  C9  .041(5)  .045(5)  .044(5)  -.007(4)  .005(4)  -.006(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 . 2.116(8) y
  Sn1 C2 . 2.131(9) y
  Sn1 C3 . 2.104(8) y
  Sn1 O1 . 2.207(5) y
  Sn1 O2 2_656 2.358(6) y
  O1 C4 . 1.260(9) y
  O2 C4 . 1.248(9) y
  O2 Sn1 2_646 2.358(6) ?
  O3 C6 . 1.202(10) y
  O4 C9 . 1.203(11) y
  N1 C6 . 1.378(11) y
  N1 C9 . 1.393(11) y
  N1 C5 . 1.446(10) y
  C4 C5 . 1.507(11) n
  C6 C7 . 1.493(11) n
  C7 C8 . 1.308(13) n
  C8 C9 . 1.468(13) n