#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2214653.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_2214653_Fobs
loop_
_publ_author_name
'Qiu, Lin-Lin'
'Sun, Jun-Shan'
'Li, Ji-Kun'
'Zhang, Ru-Fen'
_publ_section_title
;
Di-\m~3~-oxo-bis(\m~2~-2,3,4,5-tetrafluorobenzoato-\k^2^O:O')bis(2,3,4,5-tetrafluorobenzoato-\kO)tetrakis[dimethyltin(IV)]
;
_journal_coeditor_code GG2018
_journal_issue 8
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m2035
_journal_page_last m2036
_journal_volume 63
_journal_year 2007
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 107.634
_cell_angle_beta 100.296
_cell_angle_gamma 100.185
_cell_length_a 7.6590
_cell_length_b 11.1358
_cell_length_c 14.6746
_exptl_crystal_F_000 668.00
_reflns_d_resolution_high 0.8406
_[local]_cod_data_source_file gg2018Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' 050706h in P-1'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 207.47
_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
1 0 0 34007.89 29898.75 1034.23 o
2 0 0 3462.50 3397.01 112.63 o
3 0 0 2099.66 1884.43 62.93 o
5 0 0 1534.42 1369.57 57.14 o
6 0 0 1153.58 1221.02 57.10 o
7 0 0 1036.14 920.51 73.23 o
8 0 0 172.70 127.93 50.00 o
-8 1 0 436.87 384.82 61.58 o
-6 1 0 11.04 48.33 26.27 o
-5 1 0 474.41 342.69 29.13 o
-4 1 0 3867.89 4158.11 127.23 o
-3 1 0 19607.63 21557.29 834.89 o
-1 1 0 43043.63 36282.68 1478.78 o
0 1 0 7024.16 7162.77 304.62 o
1 1 0 3171.70 2849.40 79.73 o
2 1 0 341.46 480.09 18.80 o
3 1 0 3211.09 3062.56 74.91 o
4 1 0 3457.36 4084.67 99.70 o
5 1 0 3023.50 3273.85 87.08 o
6 1 0 1237.22 1338.31 87.30 o
7 1 0 300.85 299.88 58.96 o
8 1 0 4.99 -4.68 41.83 o
-7 2 0 66.09 40.13 33.02 o
-6 2 0 827.43 921.31 72.68 o
-5 2 0 5130.65 5634.19 190.10 o
-4 2 0 36720.80 35411.74 943.52 o
-3 2 0 32553.05 30063.52 939.53 o
-2 2 0 536.71 463.67 33.86 o
-1 2 0 3522.27 4060.11 184.23 o
0 2 0 997.18 962.68 38.41 o
1 2 0 2141.44 1896.43 47.04 o
2 2 0 1744.88 1995.25 50.84 o
3 2 0 6733.74 7386.39 164.74 o
4 2 0 6699.26 6818.20 157.19 o
5 2 0 1073.20 1043.97 53.05 o
6 2 0 139.35 177.82 49.02 o
7 2 0 0.86 -17.85 38.13 o
8 2 0 24.91 100.87 51.67 o
-8 3 0 136.95 164.29 49.64 o
-7 3 0 1383.19 1675.48 113.14 o
-6 3 0 4703.36 4615.58 210.39 o
-5 3 0 7511.54 6735.18 389.97 o
-4 3 0 3147.53 2914.57 102.37 o
-3 3 0 2323.69 2636.60 133.79 o
-2 3 0 351.74 428.07 39.15 o
-1 3 0 74.01 59.47 19.45 o
0 3 0 14030.62 14948.63 415.68 o
1 3 0 5298.38 5316.23 120.66 o
2 3 0 15280.54 14835.75 314.72 o
3 3 0 9309.49 9685.88 213.35 o
4 3 0 502.89 628.16 41.06 o
5 3 0 23.08 30.48 30.80 o
6 3 0 7.84 51.60 39.58 o
7 3 0 51.48 73.40 46.52 o
-8 4 0 963.71 1157.97 101.96 o
-7 4 0 2109.95 2132.11 134.48 o
-6 4 0 1137.88 1209.28 89.26 o
-5 4 0 769.05 792.90 57.79 o
-4 4 0 69.11 67.02 24.96 o
-3 4 0 1224.02 1309.35 86.58 o
-2 4 0 5069.39 5086.00 246.57 o
-1 4 0 5668.67 5730.26 278.53 o
0 4 0 25568.64 25677.58 668.81 o
1 4 0 24323.60 23819.10 620.07 o
2 4 0 1372.89 1752.54 66.66 o
3 4 0 29.46 33.74 15.54 o
4 4 0 61.26 68.94 22.44 o
5 4 0 176.11 305.43 55.12 o
6 4 0 94.60 189.98 53.45 o
7 4 0 188.74 139.84 59.76 o
-8 5 0 357.43 338.42 68.10 o
-7 5 0 340.79 390.08 66.95 o
-6 5 0 163.36 179.28 44.41 o
-5 5 0 331.27 262.42 88.55 o
-4 5 0 4981.83 5177.98 259.96 o
-3 5 0 8459.20 8351.29 389.61 o
-2 5 0 12410.33 11624.35 525.64 o
-1 5 0 29909.94 26359.31 1124.88 o
0 5 0 2049.35 2160.16 144.02 o
1 5 0 558.75 584.73 40.80 o
2 5 0 0.70 -2.04 9.13 o
3 5 0 1337.42 1377.04 68.21 o
4 5 0 861.34 840.90 88.34 o
5 5 0 233.51 131.93 49.53 o
6 5 0 136.94 121.29 53.63 o
7 5 0 16.70 15.10 51.92 o
-8 6 0 34.87 19.49 43.39 o
-7 6 0 116.59 104.82 44.81 o
-6 6 0 1097.74 1347.67 109.37 o
-5 6 0 2676.78 3121.13 188.80 o
-4 6 0 6493.87 6765.76 338.55 o
-3 6 0 11456.46 10585.01 494.44 o
-2 6 0 2856.34 2676.77 170.26 o
-1 6 0 103.33 124.49 40.56 o
0 6 0 92.67 67.89 33.96 o
1 6 0 2427.53 2205.58 152.64 o
2 6 0 1287.94 1221.83 99.77 o
3 6 0 1027.23 860.60 57.98 o
4 6 0 716.29 734.71 55.69 o
5 6 0 231.66 246.18 63.03 o
6 6 0 17.70 36.43 50.14 o
-8 7 0 279.95 258.99 75.50 o
-7 7 0 1121.44 1343.46 119.45 o
-6 7 0 1940.06 2312.60 157.99 o
-5 7 0 2614.36 2731.63 184.44 o
-4 7 0 1774.92 1742.79 137.13 o
-3 7 0 2.61 -1.02 24.67 o
-2 7 0 1.08 17.13 25.33 o
-1 7 0 2185.85 1970.56 149.57 o
0 7 0 2371.65 2632.57 181.65 o
1 7 0 1291.17 1225.57 70.32 o
2 7 0 1040.47 1033.43 65.08 o
3 7 0 1907.26 1874.00 107.32 o
4 7 0 71.00 41.94 30.49 o
5 7 0 1.92 8.96 48.11 o
6 7 0 12.56 -11.18 57.95 o
-8 8 0 429.33 468.71 96.56 o
-7 8 0 726.46 882.56 102.15 o
-5 8 0 175.18 203.66 56.31 o
-4 8 0 0.58 -7.58 32.98 o
-3 8 0 1128.42 886.26 100.48 o
-2 8 0 1566.26 1388.24 127.26 o
-1 8 0 2605.63 2538.05 183.43 o
0 8 0 1855.96 1902.85 154.87 o
1 8 0 3618.43 3906.86 148.95 o
2 8 0 607.61 563.50 74.51 o
3 8 0 5.52 2.36 28.38 o
4 8 0 150.85 70.75 36.71 o
5 8 0 0.28 -5.70 50.65 o
-7 9 0 62.92 53.55 57.47 o
-6 9 0 7.34 -43.40 43.65 o
-5 9 0 195.12 164.69 61.10 o
-4 9 0 1320.72 1107.02 120.47 o
-3 9 0 1913.35 1699.54 149.39 o
-2 9 0 1735.01 1628.75 145.47 o
-1 9 0 3654.55 3715.50 245.30 o
0 9 0 1322.68 1586.62 146.05 o
1 9 0 0.68 -13.75 31.78 o
2 9 0 133.84 120.75 37.62 o
3 9 0 120.16 71.70 37.76 o
4 9 0 37.81 52.75 38.38 o
-7 10 0 65.48 98.26 62.01 o
-6 10 0 488.98 499.72 69.21 o
-5 10 0 973.77 989.09 121.05 o
-4 10 0 1463.56 1569.60 151.68 o
-3 10 0 1770.49 1748.93 159.62 o
-2 10 0 1094.69 1099.77 122.61 o
-1 10 0 14.34 -5.23 35.56 o
0 10 0 270.33 410.62 88.47 o
1 10 0 288.26 212.22 71.40 o
2 10 0 82.13 109.31 38.59 o
3 10 0 102.68 54.59 39.14 o
-6 11 0 551.05 791.08 132.48 o
-5 11 0 694.37 818.29 117.75 o
-4 11 0 427.51 377.20 87.67 o
-3 11 0 1.09 -12.48 37.33 o
-2 11 0 82.85 34.07 48.26 o
-1 11 0 511.90 461.13 97.65 o
0 11 0 292.51 333.70 85.27 o
1 11 0 234.14 225.03 73.36 o
2 11 0 6.42 -18.36 51.31 o
-4 12 0 65.45 45.72 52.14 o
-3 12 0 290.62 164.98 72.02 o
-2 12 0 228.14 193.06 67.96 o
-1 12 0 296.76 242.85 78.92 o
0 12 0 62.45 61.65 50.29 o
-1 -12 1 132.59 231.82 82.07 o
0 -12 1 25.32 9.07 47.79 o
1 -12 1 0.28 -52.58 35.05 o
2 -12 1 46.44 24.63 56.64 o
3 -12 1 26.30 -37.19 39.88 o
4 -12 1 0.83 -21.81 49.24 o
5 -12 1 7.33 -26.09 53.99 o
-2 -11 1 199.85 228.51 78.66 o
-1 -11 1 68.45 15.39 44.56 o
0 -11 1 52.61 61.76 54.35 o
1 -11 1 1.16 -23.29 37.30 o
2 -11 1 5.88 -32.87 45.21 o
3 -11 1 28.19 30.91 46.01 o
4 -11 1 4.56 -13.75 40.09 o
5 -11 1 179.46 223.65 71.48 o
6 -11 1 178.27 193.72 82.94 o
-3 -10 1 157.54 203.33 50.09 o
-2 -10 1 22.00 6.28 31.90 o
-1 -10 1 0.77 -22.10 39.58 o
0 -10 1 8.96 -28.52 35.77 o
1 -10 1 206.91 248.40 70.57 o
2 -10 1 90.40 46.73 44.37 o
3 -10 1 94.30 117.77 57.91 o
4 -10 1 585.52 622.24 103.96 o
5 -10 1 173.05 199.09 67.42 o
6 -10 1 9.96 2.03 47.60 o
7 -10 1 18.96 5.30 61.43 o
-4 -9 1 115.51 50.43 58.05 o
-3 -9 1 2.40 -3.86 28.27 o
-2 -9 1 0.12 -20.22 24.00 o
-1 -9 1 562.25 613.13 90.72 o
0 -9 1 168.05 172.74 63.06 o
1 -9 1 28.00 0.65 33.96 o
2 -9 1 431.15 382.64 82.01 o
3 -9 1 82.10 81.06 43.47 o
4 -9 1 96.86 66.15 46.33 o
5 -9 1 50.88 25.18 40.46 o
6 -9 1 70.79 57.15 46.77 o
7 -9 1 216.84 210.81 76.85 o
-5 -8 1 10.72 -13.35 52.43 o
-4 -8 1 40.12 0.42 29.03 o
-3 -8 1 616.65 637.12 58.11 o
-2 -8 1 753.15 737.84 60.33 o
-1 -8 1 37.27 30.66 25.19 o
0 -8 1 467.15 460.47 83.28 o
1 -8 1 152.24 123.33 47.39 o
2 -8 1 282.74 171.87 55.77 o
3 -8 1 24.17 10.38 32.40 o
4 -8 1 217.59 108.02 45.83 o
5 -8 1 733.69 623.73 84.37 o
6 -8 1 723.64 756.17 95.47 o
7 -8 1 504.90 547.16 97.43 o
8 -8 1 178.18 271.87 79.79 o
-6 -7 1 67.14 11.87 57.51 o
-5 -7 1 414.43 369.61 71.77 o
-4 -7 1 736.38 723.24 59.14 o
-3 -7 1 16.05 4.62 20.85 o
-2 -7 1 48.04 20.84 21.44 o
-1 -7 1 1.56 -11.09 15.96 o
0 -7 1 199.81 223.65 56.17 o
1 -7 1 0.26 -18.61 21.92 o
2 -7 1 62.21 15.89 29.75 o
3 -7 1 919.26 669.74 75.73 o
4 -7 1 2592.19 2473.20 164.20 o
5 -7 1 1209.43 1258.59 111.04 o
7 -7 1 198.37 258.66 71.26 o
8 -7 1 0.02 -29.17 54.06 o
-6 -6 1 513.40 447.81 82.55 o
-5 -6 1 268.32 273.72 61.76 o
-4 -6 1 30.48 25.86 22.42 o
-3 -6 1 34.89 13.09 19.87 o
-2 -6 1 5.76 8.84 11.32 o
-1 -6 1 1.43 -12.42 14.37 o
0 -6 1 146.70 121.95 42.02 o
1 -6 1 2200.62 2124.13 142.86 o
2 -6 1 4392.56 4256.42 230.49 o
3 -6 1 2082.77 1941.93 130.05 o
4 -6 1 1939.32 1851.04 126.46 o
5 -6 1 386.90 394.07 62.38 o
6 -6 1 0.75 -19.81 30.01 o
7 -6 1 265.26 278.22 62.08 o
8 -6 1 598.33 704.86 103.13 o
-7 -5 1 293.33 196.40 63.28 o
-6 -5 1 1.64 -11.39 40.09 o
-5 -5 1 311.22 232.94 55.73 o
-4 -5 1 150.83 79.93 30.93 o
-3 -5 1 19.23 -12.19 13.99 o
-2 -5 1 50.13 31.99 11.79 o
-1 -5 1 879.22 1008.18 73.89 o
0 -5 1 4592.86 5264.64 271.60 o
1 -5 1 4465.31 3597.57 195.58 o
2 -5 1 2193.31 2170.50 130.27 o
3 -5 1 2008.48 2094.88 126.46 o
4 -5 1 0.51 -15.89 17.45 o
5 -5 1 448.55 470.89 56.06 o
6 -5 1 1992.49 2151.05 137.49 o
7 -5 1 1542.55 1901.26 131.39 o
8 -5 1 774.40 936.11 99.03 o
-7 -4 1 148.27 80.48 53.99 o
-6 -4 1 217.75 189.76 56.42 o
-5 -4 1 5.82 -29.42 30.04 o
-4 -4 1 34.14 8.43 15.99 o
-3 -4 1 526.24 443.71 25.47 o
-2 -4 1 341.55 322.00 24.79 o
-1 -4 1 2298.73 2007.08 62.99 o
0 -4 1 3156.62 3851.13 121.24 o
1 -4 1 1446.28 1630.20 99.79 o
2 -4 1 40.51 33.49 15.57 o
3 -4 1 1.23 6.35 11.76 o
4 -4 1 5301.08 5943.23 280.24 o
5 -4 1 3389.75 3808.79 200.70 o
6 -4 1 1873.74 1878.22 117.39 o
7 -4 1 1017.29 1148.50 95.58 o
8 -4 1 203.95 324.30 71.62 o
-8 -3 1 192.58 162.69 61.90 o
-7 -3 1 0.32 -1.42 44.05 o
-6 -3 1 47.03 64.26 39.69 o
-5 -3 1 66.83 87.59 36.25 o
-4 -3 1 2.13 11.99 10.57 o
-3 -3 1 902.59 893.42 33.47 o
-2 -3 1 3640.74 3841.17 91.85 o
-1 -3 1 485.57 640.60 33.07 o