#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008423.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008423
loop_
_publ_author_name
'Ng, Seik Weng'
_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)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              523
_journal_page_last               531
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         '[Sn(C6H5)3(C10H5O4)(C9H7NO)]'
_chemical_formula_sum            'C37 H27 N O5 Sn'
_chemical_formula_weight         684.29
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.754(8)
_cell_angle_beta                 95.758(7)
_cell_angle_gamma                98.695(5)
_cell_formula_units_Z            2
_cell_length_a                   10.4099(3)
_cell_length_b                   11.5200(10)
_cell_length_c                   13.725(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1489.0(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.526
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2008423
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 1.05841(2) 0.60073(2) 0.28490(2) 0.03270(10) Uani d . 1 . . Sn
O1 1.1903(2) 0.6143(2) 0.1757(2) 0.0440(10) Uani d . 1 . . O
O2 1.2443(3) 0.8197(2) 0.2825(2) 0.0540(10) Uani d . 1 . . O
O3 1.4721(2) 0.8915(2) 0.0640(2) 0.0450(10) Uani d . 1 . . O
O4 1.3765(4) 0.9786(3) 0.2000(3) 0.0870(10) Uani d . 1 . . O
O5 0.9036(2) 0.5659(2) 0.3952(2) 0.0410(10) Uani d . 1 . . O
N1 0.8810(3) 0.6611(2) 0.4781(2) 0.0360(10) Uani d . 1 . . N
C1 0.9798(2) 0.4016(2) 0.1869(2) 0.0360(10) Uani d G 1 . . C
C2 0.8625(2) 0.3387(2) 0.2007(2) 0.0430(10) Uani d G 1 . . C
C3 0.8129(2) 0.2109(2) 0.1359(2) 0.0510(10) Uani d G 1 . . C
C4 0.8806(3) 0.1459(2) 0.0575(2) 0.0590(10) Uani d G 1 . . C
C5 0.9980(3) 0.2088(2) 0.0437(2) 0.0730(10) Uani d G 1 . . C
C6 1.0476(2) 0.3366(2) 0.1084(2) 0.0580(10) Uani d G 1 . . C
C7 1.2061(2) 0.6548(2) 0.4222(2) 0.0410(10) Uani d G 1 . . C
C8 1.2641(3) 0.5622(2) 0.4408(2) 0.0600(10) Uani d G 1 . . C
C9 1.3544(3) 0.5953(3) 0.5332(3) 0.083(2) Uani d G 1 . . C
C10 1.3866(3) 0.7209(3) 0.6071(2) 0.084(2) Uani d G 1 . . C
C11 1.3286(3) 0.8135(3) 0.5885(2) 0.0730(10) Uani d G 1 . . C
C12 1.2384(2) 0.7804(2) 0.4960(2) 0.0550(10) Uani d G 1 . . C
C13 0.9428(2) 0.7235(2) 0.2520(2) 0.0360(10) Uani d G 1 . . C
C14 0.8597(2) 0.6724(2) 0.1539(2) 0.0470(10) Uani d G 1 . . C
C15 0.7778(2) 0.7443(2) 0.1269(2) 0.0600(10) Uani d G 1 . . C
C16 0.7788(2) 0.8675(2) 0.1979(2) 0.0640(10) Uani d G 1 . . C
C17 0.8619(3) 0.9187(2) 0.2961(2) 0.0610(10) Uani d G 1 . . C
C18 0.9438(2) 0.8467(2) 0.3231(2) 0.0490(10) Uani d G 1 . . C
C19 1.2518(3) 0.7313(3) 0.2016(3) 0.0370(10) Uani d . 1 . . C
C20 1.3356(3) 0.7501(3) 0.1240(2) 0.0350(10) Uani d . 1 . . C
C21 1.3600(3) 0.6507(3) 0.0434(2) 0.0350(10) Uani d . 1 . . C
C22 1.4435(3) 0.6654(3) -0.0296(2) 0.0340(10) Uani d . 1 . . C
C23 1.4766(4) 0.5654(3) -0.1113(3) 0.0440(10) Uani d . 1 . . C
C24 1.5601(4) 0.5886(4) -0.1759(3) 0.0510(10) Uani d . 1 . . C
C25 1.6120(4) 0.7135(4) -0.1608(3) 0.0500(10) Uani d . 1 . . C
C26 1.5809(3) 0.8137(3) -0.0818(3) 0.0450(10) Uani d . 1 . . C
C27 1.4983(3) 0.7887(3) -0.0157(3) 0.0360(10) Uani d . 1 . . C
C28 1.3920(4) 0.8803(3) 0.1360(3) 0.0490(10) Uani d . 1 . . C
C29 0.9547(3) 0.6964(3) 0.5732(3) 0.0430(10) Uani d . 1 . . C
C30 0.9326(4) 0.7964(4) 0.6613(3) 0.0520(10) Uani d . 1 . . C
C31 0.8366(4) 0.8605(4) 0.6509(3) 0.0490(10) Uani d . 1 . . C
C32 0.7561(3) 0.8238(3) 0.5516(3) 0.0410(10) Uani d . 1 . . C
C33 0.6547(4) 0.8857(4) 0.5348(3) 0.0530(10) Uani d . 1 . . C
C34 0.5757(4) 0.8422(4) 0.4381(3) 0.0550(10) Uani d . 1 . . C
C35 0.5938(4) 0.7345(4) 0.3542(3) 0.0480(10) Uani d . 1 . . C
C36 0.6926(3) 0.6730(3) 0.3660(3) 0.0410(10) Uani d . 1 . . C
C37 0.7761(3) 0.7189(3) 0.4643(3) 0.0350(10) Uani d . 1 . . C
H2 0.8172 0.3822 0.2532 0.065 Uiso calc R 1 . . H
H3 0.7344 0.1689 0.1452 0.076 Uiso calc R 1 . . H
H4 0.8474 0.0604 0.0142 0.088 Uiso calc R 1 . . H
H5 1.0433 0.1653 -0.0088 0.109 Uiso calc R 1 . . H
H6 1.1261 0.3786 0.0992 0.087 Uiso calc R 1 . . H
H8 1.2425 0.4782 0.3914 0.090 Uiso calc R 1 . . H
H9 1.3932 0.5333 0.5456 0.125 Uiso calc R 1 . . H
H10 1.4470 0.7430 0.6689 0.126 Uiso calc R 1 . . H
H11 1.3502 0.8975 0.6379 0.109 Uiso calc R 1 . . H
H12 1.1996 0.8424 0.4836 0.082 Uiso calc R 1 . . H
H14 0.8590 0.5899 0.1063 0.071 Uiso calc R 1 . . H
H15 0.7222 0.7101 0.0612 0.090 Uiso calc R 1 . . H
H16 0.7240 0.9157 0.1798 0.095 Uiso calc R 1 . . H
H17 0.8626 1.0011 0.3436 0.091 Uiso calc R 1 . . H
H18 0.9994 0.8809 0.3887 0.073 Uiso calc R 1 . . H
H21 1.3209 0.5686 0.0347 0.053 Uiso calc R 1 . . H
H23 1.4413 0.4816 -0.1221 0.066 Uiso calc R 1 . . H
H24 1.5820 0.5210 -0.2296 0.076 Uiso calc R 1 . . H
H25 1.6685 0.7291 -0.2049 0.075 Uiso calc R 1 . . H
H26 1.6147 0.8973 -0.0725 0.067 Uiso calc R 1 . . H
H29 1.0218 0.6540 0.5809 0.064 Uiso calc R 1 . . H
H30 0.9840 0.8191 0.7276 0.079 Uiso calc R 1 . . H
H31 0.8240 0.9287 0.7095 0.074 Uiso calc R 1 . . H
H33 0.6415 0.9569 0.5903 0.079 Uiso calc R 1 . . H
H34 0.5094 0.8844 0.4277 0.082 Uiso calc R 1 . . H
H35 0.5373 0.7043 0.2892 0.072 Uiso calc R 1 . . H
H36 0.7043 0.6019 0.3095 0.061 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 0.03360(10) 0.03140(10) 0.03350(10) 0.00930(10) 0.00670(10) 0.01190(10)
O1 0.051(2) 0.0350(10) 0.0470(10) 0.0090(10) 0.0190(10) 0.0160(10)
O2 0.068(2) 0.0430(10) 0.0410(10) 0.0020(10) 0.0220(10) 0.0050(10)
O3 0.059(2) 0.0310(10) 0.0510(10) 0.0100(10) 0.0210(10) 0.0180(10)
O4 0.156(3) 0.034(2) 0.080(2) 0.021(2) 0.073(2) 0.017(2)
O5 0.0460(10) 0.0400(10) 0.0410(10) 0.0150(10) 0.0200(10) 0.0130(10)
N1 0.035(2) 0.037(2) 0.036(2) 0.0060(10) 0.0130(10) 0.0140(10)
C1 0.039(2) 0.033(2) 0.038(2) 0.0120(10) 0.0050(10) 0.0140(10)
C2 0.038(2) 0.042(2) 0.049(2) 0.011(2) 0.007(2) 0.016(2)
C3 0.042(2) 0.045(2) 0.060(2) 0.004(2) -0.001(2) 0.020(2)
C4 0.066(3) 0.034(2) 0.060(3) 0.001(2) 0.003(2) 0.006(2)
C5 0.089(3) 0.048(2) 0.068(3) 0.009(2) 0.035(3) 0.005(2)
C6 0.061(3) 0.041(2) 0.063(3) 0.005(2) 0.029(2) 0.008(2)
C7 0.029(2) 0.055(2) 0.045(2) 0.010(2) 0.010(2) 0.025(2)
C8 0.043(2) 0.070(3) 0.085(3) 0.006(2) 0.007(2) 0.052(3)
C9 0.050(3) 0.116(4) 0.119(4) 0.006(3) -0.002(3) 0.094(4)
C10 0.053(3) 0.133(5) 0.068(3) -0.013(3) -0.012(2) 0.059(3)
C11 0.056(3) 0.102(4) 0.048(2) 0.006(3) 0.000(2) 0.021(3)
C12 0.047(2) 0.067(3) 0.040(2) 0.013(2) 0.002(2) 0.010(2)
C13 0.032(2) 0.038(2) 0.039(2) 0.0090(10) 0.0100(10) 0.017(2)
C14 0.049(2) 0.052(2) 0.043(2) 0.016(2) 0.006(2) 0.019(2)
C15 0.055(3) 0.079(3) 0.061(3) 0.025(2) 0.006(2) 0.040(2)
C16 0.051(2) 0.067(3) 0.097(3) 0.023(2) 0.015(2) 0.054(3)
C17 0.049(2) 0.041(2) 0.093(3) 0.016(2) 0.012(2) 0.025(2)
C18 0.041(2) 0.038(2) 0.062(2) 0.008(2) 0.006(2) 0.014(2)
C19 0.038(2) 0.037(2) 0.038(2) 0.011(2) 0.007(2) 0.0160(10)
C20 0.037(2) 0.035(2) 0.034(2) 0.0080(10) 0.0070(10) 0.0140(10)
C21 0.035(2) 0.034(2) 0.035(2) 0.0040(10) 0.0040(10) 0.0130(10)
C22 0.032(2) 0.037(2) 0.034(2) 0.0090(10) 0.0040(10) 0.0150(10)
C23 0.046(2) 0.042(2) 0.041(2) 0.008(2) 0.010(2) 0.013(2)
C24 0.053(2) 0.055(2) 0.043(2) 0.014(2) 0.018(2) 0.015(2)
C25 0.046(2) 0.065(3) 0.048(2) 0.014(2) 0.017(2) 0.030(2)
C26 0.045(2) 0.047(2) 0.051(2) 0.011(2) 0.012(2) 0.028(2)
C27 0.037(2) 0.038(2) 0.036(2) 0.0130(10) 0.0060(10) 0.018(2)
C28 0.066(3) 0.039(2) 0.046(2) 0.012(2) 0.022(2) 0.019(2)
C29 0.041(2) 0.049(2) 0.042(2) 0.009(2) 0.008(2) 0.022(2)
C30 0.056(2) 0.059(2) 0.038(2) 0.007(2) 0.004(2) 0.017(2)
C31 0.057(2) 0.048(2) 0.036(2) 0.009(2) 0.010(2) 0.009(2)
C32 0.040(2) 0.038(2) 0.040(2) 0.008(2) 0.012(2) 0.010(2)
C33 0.055(2) 0.046(2) 0.055(2) 0.019(2) 0.018(2) 0.010(2)
C34 0.049(2) 0.059(2) 0.062(3) 0.025(2) 0.013(2) 0.023(2)
C35 0.040(2) 0.053(2) 0.047(2) 0.009(2) 0.004(2) 0.016(2)
C36 0.041(2) 0.040(2) 0.036(2) 0.006(2) 0.009(2) 0.009(2)
C37 0.033(2) 0.035(2) 0.038(2) 0.0080(10) 0.0140(10) 0.0140(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 . 2.160(2) yes
Sn1 C7 . 2.136(2) yes
Sn1 C13 . 2.129(2) yes
Sn1 O1 . 2.163(2) yes
Sn1 O5 . 2.407(2) yes
O1 C19 . 1.300(4) no
O2 C19 . 1.216(4) no
O3 C27 . 1.368(4) no
O3 C28 . 1.385(4) no
O4 C28 . 1.194(4) no
O5 N1 . 1.327(3) no
N1 C29 . 1.329(4) no
N1 C37 . 1.394(4) 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 . 1.498(4) no
C20 C21 . 1.344(4) no
C20 C28 . 1.466(5) no
C21 C22 . 1.430(4) no
C22 C27 . 1.383(4) no
C22 C23 . 1.394(5) no
C23 C24 . 1.369(5) no
C24 C25 . 1.388(5) no
C25 C26 . 1.367(5) no
C26 C27 . 1.386(5) no
C29 C30 . 1.395(5) no
C30 C31 . 1.356(5) no
C31 C32 . 1.406(5) no
C32 C33 . 1.405(5) no
C32 C37 . 1.411(4) no
C33 C34 . 1.362(5) no
C34 C35 . 1.398(5) no
C35 C36 . 1.363(5) no
C36 C37 . 1.398(5) no