#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/23/2202377.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_2202377
loop_
_publ_author_name
'Zhang, Yiqun'
'Khoo, Lian Ee'
'Tou, Teck Yong'
'Ng, Seik Weng'
_publ_section_title
;
 Bis[3-(4-methylcoumarinyl-7-oxy)-\m-methoxy-1,1,3,3-tetramethyldistannoxane]
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m894
_journal_page_last               m896
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Sn4 (C10 H7 O3 )2 (C H3 O )2 (C H3 )8 O2 ]'
_chemical_formula_moiety         '8(C H3), 2(C H3 O), 2(C10 H7 O3), (O2 Sn4)'
_chemical_formula_sum            'C30 H44 O10 Sn4'
_chemical_formula_weight         1039.41
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.87(4)
_cell_angle_beta                 93.42(4)
_cell_angle_gamma                115.266(7)
_cell_formula_units_Z            1
_cell_length_a                   8.811(3)
_cell_length_b                   9.717(3)
_cell_length_c                   12.724(4)
_cell_measurement_temperature    298(2)
_cell_volume                     934.2(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.848
_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               2202377
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 0.49536(6) 0.79255(5) 0.68476(4) 0.0367(2) Uani d . 1 . . Sn
Sn2 0.67599(6) 0.64635(5) 0.48645(4) 0.0346(2) Uani d . 1 . . Sn
O1 0.2679(7) 0.6137(6) 0.7046(5) 0.055(2) Uani d . 1 . . O
O2 -0.2214(7) 0.3198(6) 0.8257(5) 0.0520(10) Uani d . 1 . . O
O3 -0.4477(9) 0.1653(8) 0.8785(7) 0.080(2) Uani d . 1 . . O
O4 0.4807(6) 0.6010(5) 0.5700(4) 0.0400(10) Uani d . 1 . . O
O5 0.7162(7) 0.8715(6) 0.5999(5) 0.052(2) Uani d . 1 . . O
C1 0.3870(10) 0.9150(10) 0.6212(8) 0.061(2) Uani d . 1 . . C
C2 0.6510(10) 0.8480(10) 0.8371(9) 0.077(3) Uani d . 1 . . C
C3 0.626(2) 0.6930(10) 0.3388(7) 0.069(3) Uani d . 1 . . C
C4 0.8930(10) 0.6480(10) 0.5605(9) 0.071(3) Uani d . 1 . . C
C5 0.1626(9) 0.6148(9) 0.7711(6) 0.040(2) Uani d . 1 . . C
C6 0.1770(10) 0.7557(9) 0.8502(6) 0.046(2) Uani d . 1 . . C
C7 0.0650(10) 0.7488(9) 0.9180(7) 0.046(2) Uani d . 1 . . C
C8 -0.0735(9) 0.6060(9) 0.9139(6) 0.041(2) Uani d . 1 . . C
C9 -0.1950(10) 0.5900(10) 0.9858(7) 0.049(2) Uani d . 1 . . C
C10 -0.3190(10) 0.4420(10) 0.9748(7) 0.056(2) Uani d . 1 . . C
C11 -0.3380(10) 0.3010(10) 0.8956(9) 0.060(2) Uani d . 1 . . C
C12 -0.0895(9) 0.4674(9) 0.8355(6) 0.043(2) Uani d . 1 . . C
C13 0.0230(10) 0.4724(9) 0.7658(7) 0.042(2) Uani d . 1 . . C
C14 -0.1820(10) 0.7320(10) 1.0713(8) 0.070(3) Uani d . 1 . . C
C15 0.8550(10) 1.0200(10) 0.6250(10) 0.090(4) Uani d . 1 . . C
H1a 0.4754 1.0043 0.6061 0.091 Uiso calc R 1 . . H
H1b 0.3299 0.9534 0.6744 0.091 Uiso calc R 1 . . H
H1c 0.3061 0.8442 0.5539 0.091 Uiso calc R 1 . . H
H2a 0.7055 0.7797 0.8290 0.115 Uiso calc R 1 . . H
H2b 0.5820 0.8314 0.8926 0.115 Uiso calc R 1 . . H
H2c 0.7368 0.9578 0.8592 0.115 Uiso calc R 1 . . H
H3a 0.5064 0.6645 0.3214 0.104 Uiso calc R 1 . . H
H3b 0.6550 0.6313 0.2795 0.104 Uiso calc R 1 . . H
H3c 0.6927 0.8051 0.3484 0.104 Uiso calc R 1 . . H
H4a 0.8852 0.6461 0.6351 0.106 Uiso calc R 1 . . H
H4b 0.9927 0.7427 0.5614 0.106 Uiso calc R 1 . . H
H4c 0.9029 0.5549 0.5192 0.106 Uiso calc R 1 . . H
Ha 0.2670 0.8545 0.8552 0.055 Uiso calc R 1 . . H
H7 0.0798 0.8433 0.9695 0.056 Uiso calc R 1 . . H
H10 -0.3976 0.4328 1.0217 0.068 Uiso calc R 1 . . H
H13 0.0059 0.3779 0.7135 0.051 Uiso calc R 1 . . H
H14a -0.2773 0.7008 1.1085 0.105 Uiso calc R 1 . . H
H14b -0.1840 0.8087 1.0366 0.105 Uiso calc R 1 . . H
H14c -0.0774 0.7799 1.1241 0.105 Uiso calc R 1 . . H
H15a 0.9541 1.0073 0.6080 0.136 Uiso calc R 1 . . H
H15b 0.8752 1.0762 0.7024 0.136 Uiso calc R 1 . . H
H15c 0.8331 1.0795 0.5819 0.136 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 0.0402(3) 0.0292(3) 0.0383(3) 0.0150(2) 0.0119(3) 0.0072(2)
Sn2 0.0304(3) 0.0279(3) 0.0418(3) 0.0093(2) 0.0132(2) 0.0110(2)
O1 0.055(3) 0.035(3) 0.064(4) 0.012(2) 0.034(3) 0.010(3)
O2 0.045(3) 0.046(3) 0.053(3) 0.009(2) 0.018(3) 0.014(3)
O3 0.065(4) 0.067(4) 0.094(5) 0.010(4) 0.030(4) 0.038(4)
O4 0.036(3) 0.027(2) 0.050(3) 0.008(2) 0.023(2) 0.007(2)
O5 0.045(3) 0.025(2) 0.062(4) 0.001(2) 0.025(3) 0.000(2)
C1 0.065(5) 0.058(5) 0.081(7) 0.041(5) 0.021(5) 0.030(5)
C2 0.076(7) 0.075(6) 0.064(6) 0.025(5) -0.007(5) 0.019(5)
C3 0.119(9) 0.064(5) 0.045(5) 0.054(6) 0.024(5) 0.027(4)
C4 0.043(5) 0.067(6) 0.096(8) 0.028(4) 0.004(5) 0.012(5)
C5 0.040(4) 0.047(4) 0.034(4) 0.019(3) 0.012(3) 0.013(3)
C6 0.041(4) 0.038(4) 0.042(4) 0.008(3) 0.006(3) 0.005(3)
C7 0.049(4) 0.044(4) 0.043(4) 0.021(4) 0.012(4) 0.009(3)
C8 0.042(4) 0.050(4) 0.035(4) 0.023(3) 0.012(3) 0.017(3)
C9 0.046(4) 0.068(5) 0.037(4) 0.026(4) 0.009(4) 0.020(4)
C10 0.050(5) 0.087(6) 0.043(5) 0.037(5) 0.018(4) 0.026(4)
C11 0.043(5) 0.076(6) 0.069(6) 0.026(5) 0.022(5) 0.035(5)
C12 0.036(4) 0.047(4) 0.041(4) 0.012(3) 0.004(3) 0.019(3)
C13 0.043(4) 0.036(4) 0.047(5) 0.018(3) 0.016(4) 0.011(3)
C14 0.075(7) 0.094(7) 0.048(5) 0.045(6) 0.028(5) 0.019(5)
C15 0.066(6) 0.042(5) 0.102(9) -0.009(5) 0.031(6) -0.016(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 . 2.087(8) yes
Sn1 C2 . 2.110(10) yes
Sn1 O1 . 2.101(5) yes
Sn1 O4 . 1.998(5) yes
Sn1 O5 . 2.223(5) yes
Sn2 C3 . 2.108(8) yes
Sn2 C4 . 2.077(9) yes
Sn2 O4 . 2.024(5) yes
Sn2 O4 2_666 2.088(4) yes
Sn2 O5 . 2.157(5) yes
O1 C5 . 1.294(9) no
O2 C12 . 1.375(9) no
O2 C11 . 1.380(10) no
O3 C11 . 1.210(10) no
O5 C15 . 1.370(10) no
C5 C13 . 1.390(10) no
C5 C6 . 1.420(10) no
C6 C7 . 1.350(10) no
C7 C8 . 1.390(10) no
C8 C12 . 1.400(10) no
C8 C9 . 1.440(10) no
C9 C10 . 1.340(10) no
C9 C14 . 1.480(10) no
C10 C11 . 1.420(10) no
C12 C13 . 1.360(10) no
C1 H1a . 0.96 no
C1 H1b . 0.96 no
C1 H1c . 0.96 no
C2 H2a . 0.96 no
C2 H2b . 0.96 no
C2 H2c . 0.96 no
C3 H3a . 0.96 no
C3 H3b . 0.96 no
C3 H3c . 0.96 no
C4 H4a . 0.96 no
C4 H4b . 0.96 no
C4 H4c . 0.96 no
C6 Ha . 0.93 no
C7 H7 . 0.93 no
C10 H10 . 0.93 no
C13 H13 . 0.93 no
C14 H14a . 0.96 no
C14 H14b . 0.96 no
C14 H14c . 0.96 no
C15 H15a . 0.96 no
C15 H15b . 0.96 no
C15 H15c . 0.96 no