data_2008421
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  523
_journal_page_last  531
_publ_section_title
;
Coordination complexes of triphenyltin coumarin-3-carboxylate with
O-donor ligands:
(coumarin-3-carboxylato)triphenyltin--L (L = ethanol,
diphenylcyclopropenone and quinoline N-oxide) and
bis[(coumarin-3-carboxylato)triphenyltin]--L (L = triphenylphosphine oxide
and triphenylarsine oxide)
;
loop_
_publ_author_name
  'Ng, Seik Weng'
_chemical_formula_moiety  '[Sn(C6H5)3(C10H5O4)(C2H6O)]'
_chemical_formula_sum  'C30 H26 O5 Sn'
_chemical_formula_weight  585.20
_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  9.115(2)
_cell_length_b  14.226(2)
_cell_length_c  20.224(4)
_cell_angle_alpha  90.00
_cell_angle_beta  93.532(9)
_cell_angle_gamma  90.00
_cell_volume  2617.6(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.485
_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 0.58236(6) 0.47436(4) 0.30411(3) 0.0428(2) Uani d . 1 . . Sn
  O1 0.7396(6) 0.5866(4) 0.3140(3) 0.053(2) Uani d . 1 . . O
  O2 0.6213(7) 0.6935(4) 0.2521(3) 0.069(2) Uani d . 1 . . O
  O3 0.9221(6) 0.8044(4) 0.4332(3) 0.058(2) Uani d . 1 . . O
  O4 0.7841(7) 0.6789(5) 0.4390(3) 0.072(2) Uani d . 1 . . O
  O5 0.4169(6) 0.3462(4) 0.3201(3) 0.055(2) Uani d . 1 . . O
  C1 0.5263(6) 0.4572(4) 0.2010(2) 0.045(2) Uani d G 1 . . C
  C2 0.4446(7) 0.5256(4) 0.1662(3) 0.063(2) Uani d G 1 . . C
  C3 0.3988(7) 0.5108(5) 0.1002(3) 0.086(3) Uani d G 1 . . C
  C4 0.4348(8) 0.4276(6) 0.0690(2) 0.087(4) Uani d G 1 . . C
  C5 0.5165(8) 0.3592(4) 0.1038(3) 0.082(3) Uani d G 1 . . C
  C6 0.5622(6) 0.3740(4) 0.1698(3) 0.063(3) Uani d G 1 . . C
  C7 0.7492(5) 0.3849(4) 0.3481(3) 0.049(2) Uani d G 1 . . C
  C8 0.7506(6) 0.2900(4) 0.3318(3) 0.074(3) Uani d G 1 . . C
  C9 0.8592(8) 0.2315(3) 0.3602(4) 0.092(4) Uani d G 1 . . C
  C10 0.9663(6) 0.2679(5) 0.4049(3) 0.090(4) Uani d G 1 . . C
  C11 0.9650(6) 0.3628(6) 0.4213(3) 0.078(3) Uani d G 1 . . C
  C12 0.8564(7) 0.4213(4) 0.3929(3) 0.059(2) Uani d G 1 . . C
  C13 0.4235(5) 0.5489(4) 0.3556(3) 0.042(2) Uani d G 1 . . C
  C14 0.2853(7) 0.5604(5) 0.3236(2) 0.078(3) Uani d G 1 . . C
  C15 0.1733(5) 0.6029(5) 0.3564(4) 0.092(4) Uani d G 1 . . C
  C16 0.1994(7) 0.6339(5) 0.4212(4) 0.088(4) Uani d G 1 . . C
  C17 0.3375(8) 0.6224(5) 0.4533(3) 0.088(4) Uani d G 1 . . C
  C18 0.4496(6) 0.5799(4) 0.4205(3) 0.066(3) Uani d G 1 . . C
  C19 0.7130(9) 0.6699(6) 0.2961(4) 0.049(2) Uani d . 1 . . C
  C20 0.8049(9) 0.7441(6) 0.3318(4) 0.041(2) Uani d . 1 . . C
  C21 0.8655(9) 0.8144(6) 0.2991(4) 0.048(2) Uani d . 1 . . C
  C22 0.9595(8) 0.8841(6) 0.3310(4) 0.044(2) Uani d . 1 . . C
  C23 1.0270(10)
  0.9583(6) 0.2998(5) 0.060(3) Uani d . 1 . . C
  C24 1.1160(10)
  1.0210(7) 0.3338(6) 0.072(3) Uani d . 1 . . C
  C25 1.1380(10)
  1.0101(7) 0.4007(6) 0.074(3) Uani d . 1 . . C
  C26 1.0760(10)
  0.9357(7) 0.4351(5) 0.066(3) Uani d . 1 . . C
  C27 0.9842(9) 0.8759(6) 0.3981(5) 0.052(2) Uani d . 1 . . C
  C28 0.8323(9) 0.7366(6) 0.4026(5) 0.050(2) Uani d . 1 . . C
  C29 0.3590(10)
  0.3275(8) 0.3817(6) 0.094(4) Uani d . 1 . . C
  C30 0.399(2) 0.2430(10)
  0.4128(7) 0.133(5) Uani d . 1 . . C
  HO5 0.3898 0.3076 0.2843 0.082 Uiso calc R 1 . . H
  H2 0.4206 0.5813 0.1871 0.095 Uiso calc R 1 . . H
  H3 0.3442 0.5566 0.0770 0.128 Uiso calc R 1 . . H
  H4 0.4042 0.4177 0.0249 0.131 Uiso calc R 1 . . H
  H5 0.5405 0.3036 0.0829 0.122 Uiso calc R 1 . . H
  H6 0.6169 0.3283 0.1931 0.095 Uiso calc R 1 . . H
  H8 0.6789 0.2657 0.3018 0.111 Uiso calc R 1 . . H
  H9 0.8601 0.1680 0.3492 0.139 Uiso calc R 1 . . H
  H10 1.0390 0.2287 0.4239 0.136 Uiso calc R 1 . . H
  H11 1.0367 0.3871 0.4512 0.117 Uiso calc R 1 . . H
  H12 0.8555 0.4848 0.4038 0.089 Uiso calc R 1 . . H
  H14 0.2678 0.5396 0.2802 0.117 Uiso calc R 1 . . H
  H15 0.0808 0.6105 0.3350 0.138 Uiso calc R 1 . . H
  H16 0.1244 0.6623 0.4432 0.132 Uiso calc R 1 . . H
  H17 0.3550 0.6431 0.4966 0.131 Uiso calc R 1 . . H
  H18 0.5420 0.5722 0.4419 0.099 Uiso calc R 1 . . H
  H21 0.8458 0.8184 0.2536 0.071 Uiso calc R 1 . . H
  H23 1.0108 0.9653 0.2542 0.090 Uiso calc R 1 . . H
  H24 1.1596 1.0700 0.3120 0.109 Uiso calc R 1 . . H
  H25 1.1973 1.0535 0.4244 0.110 Uiso calc R 1 . . H
  H26 1.0953 0.9273 0.4804 0.099 Uiso calc R 1 . . H
  H29a 0.3892 0.3781 0.4117 0.141 Uiso calc R 1 . . H
  H29b 0.2530 0.3295 0.3758 0.141 Uiso calc R 1 . . H
  H30a 0.3531 0.2384 0.4543 0.200 Uiso calc R 1 . . H
  H30b 0.5034 0.2397 0.4206 0.200 Uiso calc R 1 . . H
  H30c 0.3659 0.1911 0.3849 0.200 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 0.0390(3) 0.0387(3) 0.0500(4) 0.0031(3) -0.0030(2) -0.0001(4)
  O1 0.042(3) 0.039(4) 0.078(4) 0.004(3) -0.007(3) 0.007(3)
  O2 0.082(5) 0.038(4) 0.080(5) -0.005(3) -0.034(4) 0.000(3)
  O3 0.058(4) 0.061(4) 0.054(4) -0.016(3) -0.005(3) -0.006(3)
  O4 0.084(5) 0.083(5) 0.048(4) -0.026(4) -0.004(4) 0.013(4)
  O5 0.054(4) 0.050(4) 0.060(4) -0.008(3) 0.005(3) -0.004(3)
  C1 0.043(5) 0.038(6) 0.055(5) -0.009(4) 0.002(4) -0.008(4)
  C2 0.078(6) 0.048(5) 0.062(6) -0.001(6) -0.008(5) 0.005(5)
  C3 0.095(8) 0.110(10)
  0.057(7) 0.001(7) -0.013(6) 0.000(7)
  C4 0.101(9) 0.100(10)
  0.057(7) -0.022(8) -0.006(6) -0.020(7)
  C5 0.104(9) 0.070(8) 0.072(8) -0.008(7) 0.013(7) -0.019(6)
  C6 0.074(7) 0.067(7) 0.050(6) -0.010(6) 0.012(5) -0.002(5)
  C7 0.039(5) 0.048(6) 0.059(6) 0.007(4) 0.006(4) 0.008(5)
  C8 0.051(6) 0.057(7) 0.113(9) 0.017(5) -0.008(6) 0.019(6)
  C9 0.063(7) 0.058(7) 0.156(12) 0.014(6) 0.009(8) 0.043(7)
  C10 0.054(7) 0.110(10)
  0.110(10)
  0.018(7) 0.012(7) 0.050(8)
  C11 0.050(6) 0.120(10)
  0.064(7) 0.021(7) -0.017(5) 0.020(7)
  C12 0.055(6) 0.071(7) 0.053(6) 0.001(5) 0.004(5) 0.003(5)
  C13 0.045(5) 0.024(5) 0.058(6) 0.005(4) -0.001(4) -0.003(4)
  C14 0.057(6) 0.104(9) 0.072(7) 0.031(6) -0.005(6) -0.004(6)
  C15 0.061(7) 0.130(10)
  0.080(8) 0.033(7) -0.010(6) -0.008(8)
  C16 0.072(8) 0.090(9) 0.100(10)
  0.034(7) 0.018(7) -0.011(7)
  C17 0.084(8) 0.110(10)
  0.071(8) -0.005(7) 0.027(7) -0.031(7)
  C18 0.066(7) 0.071(7) 0.062(7) -0.003(6) 0.004(5) -0.010(6)
  C19 0.044(5) 0.045(6) 0.059(6) -0.001(5) 0.003(5) -0.004(5)
  C20 0.043(5) 0.036(5) 0.043(6) -0.005(4) -0.007(4) 0.005(4)
  C21 0.047(5) 0.049(6) 0.044(5) 0.004(5) -0.013(4) -0.004(5)
  C22 0.032(5) 0.044(5) 0.056(6) -0.001(4) -0.001(4) -0.002(5)
  C23 0.057(6) 0.050(6) 0.073(7) -0.002(5) 0.002(5) 0.006(5)
  C24 0.051(6) 0.059(6) 0.107(9) -0.009(6) 0.006(6) -0.006(7)
  C25 0.063(7) 0.054(7) 0.103(9) -0.012(5) 0.008(6) -0.017(7)
  C26 0.071(7) 0.060(6) 0.067(7) -0.004(6) -0.005(6) -0.010(6)
  C27 0.041(5) 0.046(6) 0.068(7) -0.009(5) 0.006(5) -0.013(5)
  C28 0.042(5) 0.046(6) 0.062(7) -0.001(5) -0.005(5) -0.002(5)
  C29 0.109(9) 0.071(8) 0.110(10)
  -0.004(7) 0.042(8) 0.028(7)
  C30 0.150(10)
  0.140(10)
  0.110(10)
  -0.020(10)
  0.020(10)
  0.020(10)
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 . 2.129(4) yes
  Sn1 C7 . 2.135(4) yes
  Sn1 C13 . 2.120(4) yes
  Sn1 O1 . 2.147(5) yes
  Sn1 O5 . 2.401(5) yes
  O1 C19 . 1.259(9) no
  O2 C19 . 1.229(9) no
  O3 C28 . 1.386(9) no
  O3 C27 . 1.380(10)
  no
  O4 C28 . 1.204(9) no
  O5 C29 . 1.410(10)
  no
  C1 C2 . 1.3900 no
  C1 C6 . 1.3900 no
  C2 C3 . 1.3900 no
  C3 C4 . 1.3900 no
  C4 C5 . 1.3900 no
  C5 C6 . 1.3900 no
  C7 C8 . 1.3900 no
  C7 C12 . 1.3900 no
  C8 C9 . 1.3900 no
  C9 C10 . 1.3900 no
  C10 C11 . 1.3900 no
  C11 C12 . 1.3900 no
  C13 C14 . 1.3900 no
  C13 C18 . 1.3900 no
  C14 C15 . 1.3900 no
  C15 C16 . 1.3900 no
  C16 C17 . 1.3900 no
  C17 C18 . 1.3900 no
  C19 C20 . 1.510(10)
  no
  C20 C21 . 1.340(10)
  no
  C20 C28 . 1.440(10)
  no
  C21 C22 . 1.440(10)
  no
  C22 C27 . 1.370(10)
  no
  C22 C23 . 1.390(10)
  no
  C23 C24 . 1.360(10)
  no
  C24 C25 . 1.370(10)
  no
  C25 C26 . 1.410(10)
  no
  C26 C27 . 1.380(10)
  no
  C29 C30 . 1.400(10)
  no
  O2 O5 2_655 2.629(8) no