#------------------------------------------------------------------------------
#$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $
#$Revision: 31968 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/27/2232742.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2232742_Fobs
loop_
_publ_author_name
'Zhu, Qi'
'Zhang, Rufen'
_publ_section_title
;
 <i>catena</i>-Poly[[trimethyltin(IV)]-\m-5-methylthiophene-2-carboxylato-\k^2^<i>O</i>:<i>O</i>']
;
_journal_coeditor_code           HB6523
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1834
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.385
_cell_angle_beta                 72.225
_cell_angle_gamma                75.038
_cell_length_a                   9.9591
_cell_length_b                   10.0655
_cell_length_c                   13.9890
_exptl_crystal_F_000             600.00
_reflns_d_resolution_high        0.8402
_[local]_cod_data_source_file    hb6523Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 110609e in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            322.39
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 11341.82 14271.38 514.57 o
3 0 0 1403.05 1499.90 71.08 o
4 0 0 725.92 803.29 50.20 o
5 0 0 2.22 -28.09 40.26 o
6 0 0 1677.82 2055.75 106.35 o
7 0 0 1404.77 1530.85 90.60 o
8 0 0 1202.53 1409.24 132.77 o
9 0 0 574.98 1085.68 162.90 o
10 0 0 102.26 133.29 87.90 o
11 0 0 44.09 18.55 82.90 o
-10 1 0 1.00 -19.34 74.87 o
-9 1 0 7.29 -47.29 38.14 o
-8 1 0 10.31 -24.45 40.10 o
-7 1 0 13.79 7.74 34.04 o
-6 1 0 967.61 800.72 58.72 o
-5 1 0 1345.52 1155.42 69.01 o
-4 1 0 530.59 399.72 27.70 o
-3 1 0 2186.65 1980.79 71.35 o
-2 1 0 773.20 691.95 28.98 o
-1 1 0 4602.11 4731.61 175.68 o
1 1 0 5410.53 5212.47 271.45 o
2 1 0 1693.83 1645.30 101.32 o
3 1 0 537.38 499.35 48.95 o
4 1 0 1851.73 1451.48 106.19 o
5 1 0 66.56 69.87 47.37 o
6 1 0 1193.34 1002.78 95.27 o
7 1 0 198.64 262.37 82.37 o
8 1 0 16.12 -48.03 46.71 o
9 1 0 0.87 -58.29 50.53 o
10 1 0 41.09 74.48 81.32 o
11 1 0 9.10 -10.79 79.61 o
-10 2 0 45.39 98.99 50.39 o
-9 2 0 314.49 437.99 77.83 o
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-6 2 0 660.50 571.64 54.41 o
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0 2 0 8297.09 9482.23 636.07 o
1 2 0 25828.85 26871.06 1353.32 o
2 2 0 7080.58 8070.69 423.82 o
3 2 0 14381.50 14174.36 735.01 o
4 2 0 2179.12 2525.97 163.03 o
5 2 0 732.93 521.72 63.69 o
6 2 0 773.28 780.94 83.95 o
7 2 0 157.03 244.74 80.79 o
8 2 0 104.51 453.43 102.90 o
9 2 0 611.31 1095.94 165.00 o
10 2 0 73.09 197.64 89.87 o
11 2 0 146.27 153.42 105.92 o
-10 3 0 31.03 39.39 55.69 o
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-8 3 0 43.43 43.88 49.98 o
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-5 3 0 2046.36 1579.82 89.84 o
-4 3 0 5875.04 5363.42 221.09 o
-3 3 0 11798.67 11703.82 357.01 o
-2 3 0 19945.49 20203.21 610.99 o
-1 3 0 6656.11 6101.95 231.74 o
0 3 0 1699.26 1422.61 77.96 o
1 3 0 11.03 23.42 25.79 o
2 3 0 84.26 80.92 35.00 o
3 3 0 3635.56 3358.49 199.61 o
4 3 0 4325.32 3951.53 237.90 o
5 3 0 4956.88 3923.24 243.95 o
6 3 0 4108.61 3384.67 225.14 o
7 3 0 499.48 460.67 101.58 o
8 3 0 359.54 579.35 118.03 o
9 3 0 132.48 61.45 71.19 o
10 3 0 0.01 -57.50 65.00 o
11 3 0 1.53 -21.84 87.63 o
-9 4 0 34.90 29.21 66.58 o
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-7 4 0 13.39 36.21 50.00 o
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-5 4 0 70.99 104.24 45.26 o
-4 4 0 95.90 124.73 29.01 o
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-2 4 0 1417.85 1636.41 67.24 o
-1 4 0 700.78 700.37 44.66 o
0 4 0 1376.99 1277.76 187.24 o
1 4 0 229.79 210.56 36.96 o
2 4 0 284.62 374.09 64.34 o
3 4 0 2050.02 2016.62 136.71 o
4 4 0 2044.16 1903.59 136.98 o
5 4 0 190.81 212.64 66.71 o
6 4 0 340.26 640.01 109.61 o
7 4 0 0.13 -3.03 46.71 o
8 4 0 27.85 -16.71 52.37 o
9 4 0 29.49 9.21 71.58 o
10 4 0 14.68 -20.26 68.55 o
11 4 0 6.27 -27.50 69.87 o
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-1 5 0 5186.61 4843.43 197.79 o
0 5 0 7980.24 6811.77 267.80 o
1 5 0 2239.08 1707.75 105.33 o
2 5 0 143.62 182.24 54.08 o
3 5 0 1198.06 1231.08 100.92 o
4 5 0 1673.96 1523.85 121.84 o
5 5 0 2119.60 1867.93 146.19 o
6 5 0 1712.13 1304.24 123.16 o
7 5 0 2888.57 2389.00 189.08 o
8 5 0 759.27 882.52 153.95 o
9 5 0 375.37 357.11 114.61 o
10 5 0 139.73 179.21 96.32 o
-8 6 0 64.40 13.42 55.26 o
-7 6 0 120.78 26.97 46.45 o
-6 6 0 271.30 217.50 110.66 o
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-2 6 0 232.60 226.16 47.52 o
-1 6 0 688.57 686.41 168.82 o
0 6 0 27.20 -9.65 28.48 o
1 6 0 80.86 138.21 104.87 o
2 6 0 1273.32 1199.07 75.49 o
3 6 0 15.44 14.21 45.00 o
4 6 0 1808.96 1617.27 131.45 o
5 6 0 190.71 147.37 68.55 o
6 6 0 83.21 86.32 69.48 o
7 6 0 3.45 54.21 69.87 o
8 6 0 105.69 126.19 84.48 o
9 6 0 0.05 -51.58 63.95 o
10 6 0 1.55 -36.97 78.03 o
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-6 7 0 100.60 142.50 110.66 o
-5 7 0 15.55 -40.13 82.24 o
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-3 7 0 2634.97 2052.28 185.79 o
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1 7 0 2801.31 2148.99 168.03 o
2 7 0 1994.82 1712.34 227.04 o
3 7 0 648.32 594.55 62.60 o
4 7 0 210.86 216.93 61.21 o
5 7 0 204.13 146.85 78.82 o
6 7 0 524.06 742.38 142.37 o
7 7 0 351.32 345.27 107.90 o
8 7 0 418.50 365.01 119.74 o
9 7 0 458.57 549.22 143.16 o
-6 8 0 265.53 285.53 129.61 o
-5 8 0 942.47 996.73 190.79 o
-4 8 0 1266.32 1303.58 157.77 o
-3 8 0 631.86 721.59 153.16 o
-2 8 0 389.98 503.83 134.61 o
-1 8 0 166.63 210.00 86.45 o
0 8 0 12.92 3.16 60.53 o
1 8 0 47.13 65.13 64.47 o
2 8 0 1110.97 1022.39 114.74 o
3 8 0 2951.62 2595.32 208.82 o
4 8 0 1788.53 1291.34 142.90 o
5 8 0 1043.23 945.12 84.03 o
6 8 0 585.78 896.06 187.31 o
7 8 0 286.41 311.19 113.03 o
8 8 0 42.62 72.76 96.05 o
9 8 0 4.62 11.58 92.90 o
-5 9 0 6.36 -69.08 104.87 o
-4 9 0 3.11 -86.45 96.05 o
-3 9 0 53.07 47.11 105.27 o
-2 9 0 525.40 656.20 148.95 o
0 9 0 320.03 384.09 114.61 o
1 9 0 776.52 795.15 105.40 o
2 9 0 55.96 56.84 75.00 o
3 9 0 0.51 -70.53 71.19 o
4 9 0 70.48 49.08 83.29 o
5 9 0 0.78 18.16 83.82 o
6 9 0 15.88 -95.79 96.32 o
7 9 0 25.46 -44.87 123.16 o
8 9 0 2.05 -54.21 137.11 o
-3 10 0 407.56 487.90 158.29 o
-2 10 0 1426.65 1202.66 152.77 o
-1 10 0 671.47 709.88 168.03 o
0 10 0 163.80 254.74 108.95 o
1 10 0 5.78 -58.95 85.26 o
2 10 0 732.65 891.33 177.11 o
3 10 0 626.14 854.62 174.08 o
4 10 0 642.72 705.54 166.71 o
5 10 0 1042.23 1131.47 213.69 o
6 10 0 645.66 867.78 208.95 o
1 11 0 100.29 102.11 112.63 o
2 11 0 257.10 312.51 126.32 o
3 11 0 38.15 -33.29 82.63 o
4 11 0 81.87 64.74 106.05 o
-5 -10 1 0.50 -38.29 100.00 o
-4 -10 1 0.44 -13.95 88.69 o
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-1 -10 1 0.06 -33.68 84.34 o
0 -10 1 13.18 -75.79 83.29 o
2 -10 1 129.22 75.00 101.58 o
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0 -9 1 3360.97 2822.69 223.29 o
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2 -9 1 524.80 513.69 152.90 o
3 -9 1 13.03 -7.11 85.79 o
4 -9 1 34.71 -2.24 95.53 o
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-5 -8 1 545.45 717.38 171.32 o
-4 -8 1 334.86 267.64 113.82 o
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-2 -8 1 22.74 -0.53 56.71 o
-1 -8 1 7.88 -29.21 62.76 o
0 -8 1 341.44 336.85 109.74 o
1 -8 1 520.39 902.52 147.90 o
2 -8 1 381.99 416.65 77.98 o
3 -8 1 164.88 86.71 95.13 o
4 -8 1 662.78 713.30 162.11 o
5 -8 1 110.82 25.66 115.92 o
6 -8 1 318.83 756.86 188.69 o
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2 -5 1 8.54 24.71 26.29 o
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1 -4 1 2033.40 2844.40 178.29 o
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3 -4 1 746.30 668.58 38.04 o
4 -4 1 4029.53 4937.03 168.47 o
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0 -3 1 18.61 13.82 28.03 o
1 -3 1 11349.79 10948.17 428.69 o
2 -3 1 11383.38 11079.04 337.91 o
3 -3 1 2078.00 2049.75 76.88 o
4 -3 1 5061.87 4601.98 154.60 o
5 -3 1 125.15 137.89 32.48 o
6 -3 1 15.70 -29.41 31.25 o
7 -3 1 13.10 -33.14 36.47 o
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10 -3 1 66.26 7.89 64.08 o
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1 -1 1 24395.83 24660.49 1265.16 o
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3 1 1 10114.85 9473.48 497.51 o
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11 1 1 45.64 2.11 77.37 o
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-2 2 1 2055.12 2439.52 104.48 o
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0 2 1 6543.92 6724.21 354.48 o
1 2 1 6931.62 6392.23 335.93 o
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3 2 1 2071.87 2317.81 144.21 o
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