data_2008422
_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)(C15H10O)]'
_chemical_formula_sum  'C43 H30 O5 Sn'
_chemical_formula_weight  745.36
_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  12.712(2)
_cell_length_b  19.402(2)
_cell_length_c  14.456(3)
_cell_angle_alpha  90.00
_cell_angle_beta  97.242(9)
_cell_angle_gamma  90.00
_cell_volume  3536.8(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.400
_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 0.21980(4) 0.21882(2) 0.67291(3) 0.0548(2) Uani d . 1 . . Sn
  O1 0.3430(3) 0.1479(2) 0.6616(3) 0.0620(10)
  Uani d . 1 . . O
  O2 0.4810(4) 0.2158(3) 0.6828(4) 0.097(2) Uani d . 1 . . O
  O3 0.6753(3) 0.0453(3) 0.6301(3) 0.0700(10)
  Uani d . 1 . . O
  O4 0.6737(4) 0.1561(3) 0.6582(3) 0.082(2) Uani d . 1 . . O
  O5 0.0555(4) 0.2811(3) 0.6791(3) 0.0810(10)
  Uani d . 1 . . O
  C1 0.2364(4) 0.2751(2) 0.5490(2) 0.057(2) Uani d G 1 . . C
  C2 0.1525(3) 0.2773(2) 0.4775(3) 0.075(2) Uani d G 1 . . C
  C3 0.1652(4) 0.3096(3) 0.3937(3) 0.091(3) Uani d G 1 . . C
  C4 0.2619(5) 0.3395(3) 0.3816(3) 0.102(3) Uani d G 1 . . C
  C5 0.3458(4) 0.3373(2) 0.4532(4) 0.096(3) Uani d G 1 . . C
  C6 0.3330(3) 0.3050(2) 0.5369(3) 0.078(2) Uani d G 1 . . C
  C7 0.2686(4) 0.2626(2) 0.8066(3) 0.064(2) Uani d G 1 . . C
  C8 0.3652(4) 0.2963(3) 0.8270(4) 0.088(2) Uani d G 1 . . C
  C9 0.3948(4) 0.3230(3) 0.9157(5) 0.127(4) Uani d G 1 . . C
  C10 0.3278(6) 0.3159(3) 0.9840(3) 0.135(5) Uani d G 1 . . C
  C11 0.2312(6) 0.2821(3) 0.9637(3) 0.127(4) Uani d G 1 . . C
  C12 0.2016(4) 0.2555(2) 0.8749(4) 0.088(2) Uani d G 1 . . C
  C13 0.1132(4) 0.1333(2) 0.6616(3) 0.057(2) Uani d G 1 . . C
  C14 0.0200(4) 0.1320(3) 0.7026(3) 0.077(2) Uani d G 1 . . C
  C15 -0.0421(3) 0.0728(4) 0.6972(4) 0.103(3) Uani d G 1 . . C
  C16 -0.0110(5) 0.0150(3) 0.6509(4) 0.121(4) Uani d G 1 . . C
  C17 0.0821(5) 0.0163(2) 0.6099(4) 0.121(3) Uani d G 1 . . C
  C18 0.1443(3) 0.0755(3) 0.6152(3) 0.086(2) Uani d G 1 . . C
  C19 0.4430(5) 0.1595(4) 0.6659(4) 0.058(2) Uani d . 1 . . C
  C20 0.5078(5) 0.0968(3) 0.6503(4) 0.050(2) Uani d . 1 . . C
  C21 0.4629(5) 0.0355(4) 0.6382(4) 0.056(2) Uani d . 1 . . C
  C22 0.5200(5) -0.0253(4) 0.6200(4) 0.057(2) Uani d . 1 . . C
  C23 0.4773(6) -0.0908(4) 0.6067(5) 0.070(2) Uani d . 1 . . C
  C24 0.5389(7) -0.1465(4) 0.5910(5) 0.084(2) Uani d . 1 . . C
  C25 0.6468(7) -0.1368(5) 0.5888(5) 0.088(2) Uani d . 1 . . C
  C26 0.6914(6) -0.0734(5) 0.6013(5) 0.085(2) Uani d . 1 . . C
  C27 0.6276(6) -0.0175(4) 0.6169(4) 0.063(2) Uani d . 1 . . C
  C28 0.6208(6) 0.1054(4) 0.6477(4) 0.060(2) Uani d . 1 . . C
  C29 0.0216(6) 0.3392(4) 0.6645(5) 0.068(2) Uani d . 1 . . C
  C30 -0.0651(6) 0.3833(3) 0.6520(4) 0.059(2) Uani d . 1 . . C
  C31 0.0316(6) 0.4098(4) 0.6451(4) 0.065(2) Uani d . 1 . . C
  C32 -0.1787(3) 0.3919(3) 0.6497(3) 0.061(2) Uani d G 1 . . C
  C33 -0.2395(4) 0.3348(2) 0.6666(3) 0.077(2) Uani d G 1 . . C
  C34 -0.3486(4) 0.3413(3) 0.6650(4) 0.101(3) Uani d G 1 . . C
  C35 -0.3969(3) 0.4050(4) 0.6466(4) 0.117(3) Uani d G 1 . . C
  C36 -0.3361(5) 0.4621(3) 0.6296(4) 0.103(3) Uani d G 1 . . C
  C37 -0.2270(4) 0.4555(2) 0.6312(4) 0.083(2) Uani d G 1 . . C
  C38 0.0984(5) 0.4673(2) 0.6334(3) 0.070(2) Uani d G 1 . . C
  C39 0.0572(4) 0.5324(3) 0.6109(3) 0.082(2) Uani d G 1 . . C
  C40 0.1251(6) 0.5872(2) 0.6006(3) 0.092(3) Uani d G 1 . . C
  C41 0.2342(6) 0.5770(3) 0.6128(4) 0.110(3) Uani d G 1 . . C
  C42 0.2754(4) 0.5119(4) 0.6353(4) 0.122(3) Uani d G 1 . . C
  C43 0.2075(5) 0.4571(3) 0.6456(4) 0.102(3) Uani d G 1 . . C
  H2 0.0878 0.2573 0.4856 0.113 Uiso calc R 1 . . H
  H3 0.1091 0.3111 0.3458 0.136 Uiso calc R 1 . . H
  H4 0.2704 0.3611 0.3256 0.152 Uiso calc R 1 . . H
  H5 0.4104 0.3573 0.4451 0.145 Uiso calc R 1 . . H
  H6 0.3892 0.3035 0.5848 0.117 Uiso calc R 1 . . H
  H8 0.4100 0.3011 0.7813 0.132 Uiso calc R 1 . . H
  H9 0.4594 0.3455 0.9293 0.191 Uiso calc R 1 . . H
  H10 0.3476 0.3337 1.0434 0.203 Uiso calc R 1 . . H
  H11 0.1864 0.2774 1.0094 0.190 Uiso calc R 1 . . H
  H12 0.1369 0.2329 0.8613 0.131 Uiso calc R 1 . . H
  H14 -0.0008 0.1707 0.7336 0.115 Uiso calc R 1 . . H
  H15 -0.1045 0.0720 0.7247 0.155 Uiso calc R 1 . . H
  H16 -0.0526 -0.0246 0.6473 0.181 Uiso calc R 1 . . H
  H17 0.1029 -0.0224 0.5788 0.181 Uiso calc R 1 . . H
  H18 0.2066 0.0763 0.5878 0.128 Uiso calc R 1 . . H
  H21 0.3905 0.0318 0.6417 0.084 Uiso calc R 1 . . H
  H23 0.4051 -0.0971 0.6085 0.105 Uiso calc R 1 . . H
  H24 0.5089 -0.1901 0.5820 0.125 Uiso calc R 1 . . H
  H25 0.6892 -0.1745 0.5786 0.131 Uiso calc R 1 . . H
  H26 0.7637 -0.0674 0.5995 0.128 Uiso calc R 1 . . H
  H33 -0.2072 0.2922 0.6790 0.116 Uiso calc R 1 . . H
  H34 -0.3893 0.3031 0.6764 0.152 Uiso calc R 1 . . H
  H35 -0.4699 0.4094 0.6455 0.176 Uiso calc R 1 . . H
  H36 -0.3684 0.5047 0.6172 0.154 Uiso calc R 1 . . H
  H37 -0.1863 0.4937 0.6198 0.125 Uiso calc R 1 . . H
  H39 -0.0158 0.5392 0.6028 0.123 Uiso calc R 1 . . H
  H40 0.0975 0.6308 0.5855 0.138 Uiso calc R 1 . . H
  H41 0.2796 0.6137 0.6059 0.165 Uiso calc R 1 . . H
  H42 0.3484 0.5051 0.6434 0.183 Uiso calc R 1 . . H
  H43 0.2351 0.4135 0.6607 0.153 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 0.0580(3) 0.0498(3) 0.0568(3) 0.0008(3) 0.0087(2) 0.0011(3)
  O1 0.046(3) 0.064(3) 0.075(3) 0.000(2) 0.009(2) -0.001(2)
  O2 0.065(3) 0.061(3) 0.163(5) -0.001(3) 0.008(3) -0.018(4)
  O3 0.043(3) 0.091(4) 0.078(3) 0.002(3) 0.014(2) -0.003(3)
  O4 0.061(3) 0.093(4) 0.094(4) -0.019(3) 0.021(3) -0.015(3)
  O5 0.075(3) 0.066(3) 0.104(4) 0.028(3) 0.019(3) 0.014(3)
  C1 0.069(4) 0.049(4) 0.051(4) -0.003(4) -0.001(3) 0.000(3)
  C2 0.071(5) 0.084(5) 0.067(5) -0.001(5) -0.006(4) 0.009(5)
  C3 0.104(7) 0.098(6) 0.067(5) 0.003(5) 0.000(5) 0.016(5)
  C4 0.127(8) 0.090(6) 0.090(6) -0.005(6) 0.019(6) 0.041(5)
  C5 0.105(7) 0.095(6) 0.089(6) -0.026(6) 0.012(5) 0.023(5)
  C6 0.084(6) 0.070(5) 0.075(5) -0.024(4) -0.005(4) 0.016(4)
  C7 0.088(5) 0.049(4) 0.049(4) 0.013(4) -0.005(4) -0.003(3)
  C8 0.091(6) 0.071(6) 0.095(6) 0.007(5) -0.013(5) -0.022(5)
  C9 0.160(10)
  0.088(7) 0.121(8) 0.030(7) -0.039(8) -0.036(7)
  C10 0.190(10)
  0.102(8) 0.092(8) 0.060(8) -0.054(8) -0.043(6)
  C11 0.200(10)
  0.111(7) 0.060(5) 0.063(8) 0.001(6) -0.017(6)
  C12 0.129(7) 0.074(5) 0.061(5) 0.031(5) 0.017(5) -0.004(4)
  C13 0.049(4) 0.059(4) 0.064(4) 0.000(3) 0.009(3) 0.004(3)
  C14 0.063(5) 0.080(6) 0.089(6) 0.002(4) 0.018(4) 0.016(4)
  C15 0.075(6) 0.123(8) 0.116(7) -0.019(6) 0.026(5) 0.015(6)
  C16 0.086(7) 0.115(8) 0.160(10)
  -0.045(6) 0.006(6) -0.011(7)
  C17 0.096(7) 0.092(7) 0.170(10)
  -0.028(6) 0.015(7) -0.040(7)
  C18 0.063(5) 0.075(5) 0.118(7) -0.017(4) 0.009(5) -0.013(5)
  C19 0.056(5) 0.058(5) 0.057(4) -0.008(4) -0.004(3) -0.001(4)
  C20 0.042(4) 0.059(4) 0.049(4) 0.003(3) 0.008(3) 0.004(3)
  C21 0.041(4) 0.067(5) 0.061(4) 0.003(4) 0.012(3) 0.005(4)
  C22 0.060(5) 0.063(5) 0.047(4) 0.004(4) 0.006(3) 0.008(3)
  C23 0.072(5) 0.066(5) 0.076(5) -0.002(4) 0.022(4) 0.005(4)
  C24 0.099(7) 0.067(5) 0.087(6) 0.015(5) 0.019(5) 0.004(4)
  C25 0.103(7) 0.084(6) 0.076(6) 0.032(6) 0.012(5) 0.004(5)
  C26 0.068(5) 0.109(7) 0.081(6) 0.023(6) 0.016(4) -0.004(5)
  C27 0.061(5) 0.073(5) 0.054(4) 0.011(4) 0.008(4) 0.007(4)
  C28 0.058(5) 0.076(5) 0.047(4) 0.000(4) 0.006(3) 0.005(4)
  C29 0.066(5) 0.078(6) 0.059(4) 0.019(5) 0.009(4) -0.002(4)
  C30 0.069(5) 0.058(4) 0.050(4) 0.004(4) 0.009(4) -0.005(3)
  C31 0.072(5) 0.063(5) 0.058(4) 0.010(4) 0.003(4) -0.003(4)
  C32 0.065(5) 0.051(4) 0.068(5) 0.003(4) 0.016(4) -0.014(3)
  C33 0.084(6) 0.060(5) 0.089(5) -0.001(4) 0.012(5) -0.019(4)
  C34 0.065(6) 0.098(7) 0.143(8) -0.023(5) 0.025(5) -0.015(6)
  C35 0.078(6) 0.107(8) 0.170(10)
  0.018(6) 0.035(6) -0.037(7)
  C36 0.091(7) 0.069(6) 0.149(8) 0.012(5) 0.022(6) -0.011(6)
  C37 0.077(6) 0.069(5) 0.108(6) 0.019(4) 0.030(5) -0.007(5)
  C38 0.083(6) 0.062(5) 0.064(5) -0.003(5) 0.010(4) -0.011(4)
  C39 0.110(6) 0.074(5) 0.063(5) -0.015(5) 0.011(4) -0.009(4)
  C40 0.129(8) 0.064(5) 0.084(6) -0.008(6) 0.015(6) -0.013(4)
  C41 0.126(9) 0.088(7) 0.120(8) -0.035(6) 0.026(7) -0.031(6)
  C42 0.097(7) 0.099(7) 0.170(10)
  -0.020(7) 0.010(6) -0.022(7)
  C43 0.097(7) 0.071(6) 0.138(8) -0.014(5) 0.017(6) -0.017(5)
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 . 2.130(3) yes
  Sn1 C7 . 2.130(4) yes
  Sn1 C13 . 2.135(4) yes
  Sn1 O1 . 2.107(4) yes
  Sn1 O5 . 2.425(4) yes
  O1 C19 . 1.285(7) no
  O2 C19 . 1.206(7) no
  O3 C27 . 1.365(8) no
  O3 C28 . 1.397(8) no
  O4 C28 . 1.190(7) no
  O5 C29 . 1.216(8) 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 . 1.503(9) no
  C20 C21 . 1.322(8) no
  C20 C28 . 1.451(9) no
  C21 C22 . 1.427(8) no
  C22 C27 . 1.382(8) no
  C22 C23 . 1.385(9) no
  C23 C24 . 1.370(9) no
  C24 C25 . 1.390(10)
  no
  C25 C26 . 1.360(10)
  no
  C26 C27 . 1.389(9) no
  C29 C30 . 1.389(9) no
  C29 C31 . 1.410(10)
  no
  C30 C31 . 1.347(9) no
  C30 C32 . 1.450(8) no
  C31 C38 . 1.425(8) no
  C32 C33 . 1.3900 no
  C32 C37 . 1.3900 no
  C33 C34 . 1.3900 no
  C34 C35 . 1.3900 no
  C35 C36 . 1.3900 no
  C36 C37 . 1.3900 no
  C38 C39 . 1.3900 no
  C38 C43 . 1.3900 no
  C39 C40 . 1.3900 no
  C40 C41 . 1.3900 no
  C41 C42 . 1.3900 no
  C42 C43 . 1.3900 no