#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2010736.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_2010736_Fobs
loop_
_publ_author_name
'K\"onig, Uwe-Christoph'
'Berkei, Michael'
'Neikes, Frank'
'Preut, Hans'
'Mitchell, Terence Nigel'
_publ_section_title
;
Complexes of dimethyltin dihalides with N-methylpyrrolidinone,
C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I)
;
_journal_issue 3
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first 324
_journal_page_last 326
_journal_volume 56
_journal_year 2000
_space_group_IT_number 7
_symmetry_space_group_name_Hall 'P -2yac'
_symmetry_space_group_name_H-M 'P 1 n 1'
_cell_angle_alpha 90.000
_cell_angle_beta 90.310
_cell_angle_gamma 90.000
_cell_length_a 7.3960
_cell_length_b 8.3270
_cell_length_c 15.4060
_exptl_crystal_F_000 564.00
_reflns_d_resolution_high 0.7795
_[local]_cod_data_source_file na1448IIIsup4.hkl
_[local]_cod_data_source_block III
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' ccd1053 in Pn'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 259.33
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, z+1/2'
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
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-2 1 -19 153.64 127.74 85.95 o
-1 1 -19 288.60 395.35 149.14 o
0 1 -19 31.19 43.15 97.55 o
1 1 -19 387.42 392.07 114.43 o
2 1 -19 131.92 129.44 144.45 o
-1 2 -19 1271.69 1103.04 258.88 o
0 2 -19 22.81 -11.26 106.93 o
1 2 -19 284.08 240.12 97.55 o
-2 0 -18 1328.26 1356.29 236.37 o
0 0 -18 186.71 161.33 67.53 o
2 0 -18 1657.60 1609.54 260.75 o
-3 1 -18 113.60 163.85 117.25 o
-2 1 -18 160.21 151.20 85.61 o
-1 1 -18 134.57 105.72 76.62 o
0 1 -18 1315.79 1424.84 117.24 o
1 1 -18 404.39 358.30 80.66 o
2 1 -18 572.22 570.28 121.93 o
3 1 -18 511.81 442.72 159.45 o
-3 2 -18 11.33 12.91 99.87 o
-2 2 -18 865.67 813.29 120.76 o
-1 2 -18 293.17 333.90 89.53 o
0 2 -18 778.37 784.13 116.31 o
1 2 -18 725.97 750.37 125.69 o
2 2 -18 8.18 -31.89 91.92 o
3 2 -18 615.47 559.02 163.20 o
-2 3 -18 671.30 521.98 119.56 o
-1 3 -18 452.12 523.38 148.20 o
0 3 -18 48.94 158.71 100.00 o
1 3 -18 134.75 64.31 70.44 o
2 3 -18 942.20 977.16 133.21 o
-1 4 -18 349.30 357.10 139.76 o
0 4 -18 690.08 756.97 149.18 o
1 4 -18 688.02 725.60 122.36 o
-3 0 -17 2466.06 3067.12 371.43 o
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1 0 -17 1435.61 1465.09 133.19 o
3 0 -17 3072.14 3249.09 302.02 o
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-3 1 -17 298.37 296.59 77.96 o
-2 1 -17 721.36 695.82 134.13 o
-1 1 -17 1227.97 1177.90 86.62 o
0 1 -17 738.69 723.24 52.86 o
1 1 -17 2450.90 2491.49 124.69 o
2 1 -17 804.73 744.45 57.64 o
3 1 -17 243.38 254.41 53.46 o
4 1 -17 476.44 472.65 71.59 o
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-3 2 -17 500.71 432.67 100.02 o
-2 2 -17 938.68 1001.42 95.85 o
-1 2 -17 989.59 956.29 75.70 o
0 2 -17 1922.30 2031.98 193.22 o
1 2 -17 145.41 164.88 63.78 o
2 2 -17 1022.51 1004.96 97.47 o
3 2 -17 71.37 36.58 46.43 o
4 2 -17 944.92 1008.21 135.62 o
-3 3 -17 1291.97 1233.09 153.23 o
-2 3 -17 1041.16 1108.48 107.58 o
-1 3 -17 347.76 398.57 68.02 o
0 3 -17 325.77 364.33 92.85 o
1 3 -17 554.97 563.10 84.73 o
2 3 -17 689.52 618.32 87.85 o
3 3 -17 890.05 845.78 106.80 o
4 3 -17 255.73 274.16 89.35 o
-3 4 -17 91.66 98.11 96.49 o
-2 4 -17 172.55 187.59 135.07 o
-1 4 -17 781.53 724.08 117.39 o
0 4 -17 430.85 422.34 99.25 o
1 4 -17 1265.69 1323.78 139.13 o
2 4 -17 205.84 323.74 82.38 o
3 4 -17 155.85 132.62 96.10 o
-1 5 -17 772.70 789.14 147.86 o
0 5 -17 568.23 593.80 136.45 o
1 5 -17 9.58 -24.92 85.79 o
-4 0 -16 3473.10 3603.63 356.42 o
-2 0 -16 4728.81 4665.40 358.30 o
0 0 -16 1243.11 1296.26 69.41 o
2 0 -16 3539.60 3898.15 189.47 o
4 0 -16 1202.55 1254.99 129.44 o
-5 1 -16 370.61 461.48 120.06 o
-4 1 -16 1128.61 1108.18 135.57 o
-3 1 -16 1667.30 1563.73 117.03 o
-2 1 -16 1037.71 1000.68 71.48 o
-1 1 -16 1246.34 1257.45 65.33 o
0 1 -16 3956.81 4333.89 169.39 o
1 1 -16 1555.06 1564.78 60.97 o
2 1 -16 384.09 340.54 31.84 o
3 1 -16 944.22 913.43 50.95 o
4 1 -16 688.02 667.00 69.41 o
5 1 -16 152.78 97.76 68.48 o
-5 2 -16 950.90 902.29 166.99 o
-4 2 -16 209.36 226.30 96.71 o
-3 2 -16 1326.28 1309.06 142.80 o
-2 2 -16 617.58 595.24 60.32 o
-1 2 -16 4116.41 4050.64 246.43 o
0 2 -16 422.72 426.24 37.63 o
1 2 -16 1873.54 1908.28 79.56 o
2 2 -16 368.38 291.43 41.46 o
3 2 -16 654.60 654.03 55.79 o
4 2 -16 18.24 43.15 60.40 o
5 2 -16 364.06 340.94 88.30 o
-4 3 -16 1428.71 1555.57 190.13 o
-3 3 -16 1277.80 1296.21 135.57 o
-2 3 -16 1523.03 1568.75 162.16 o
-1 3 -16 697.35 654.86 95.08 o
0 3 -16 31.78 79.21 52.53 o
1 3 -16 948.86 938.16 86.95 o
2 3 -16 1346.78 1340.80 171.65 o
3 3 -16 272.28 204.43 51.29 o
4 3 -16 491.27 434.95 64.08 o
-4 4 -16 394.71 420.41 142.04 o
-3 4 -16 240.02 244.97 96.00 o
-2 4 -16 864.16 815.98 111.73 o
-1 4 -16 92.47 155.47 74.10 o
0 4 -16 1888.64 2031.43 200.56 o
1 4 -16 45.02 -3.71 91.94 o
2 4 -16 308.44 286.68 62.30 o
3 4 -16 476.69 486.80 74.73 o
4 4 -16 127.27 108.88 63.51 o
-3 5 -16 145.92 165.99 95.50 o
-2 5 -16 720.43 667.46 109.82 o
-1 5 -16 597.13 604.88 114.12 o
0 5 -16 2.48 -4.32 91.07 o
1 5 -16 540.39 589.91 110.27 o
2 5 -16 556.60 506.50 93.33 o
3 5 -16 49.34 2.48 82.11 o
-1 6 -16 95.17 32.24 104.91 o
0 6 -16 117.59 173.86 111.61 o
1 6 -16 178.05 96.61 95.26 o
-5 0 -15 1947.11 2014.73 206.35 o
-3 0 -15 7115.03 8015.79 620.93 o
-1 0 -15 802.02 832.91 60.03 o
1 0 -15 2393.66 2371.16 90.04 o
3 0 -15 1316.42 1354.41 73.16 o
5 0 -15 110.59 93.80 69.41 o
-6 1 -15 593.47 474.61 116.31 o
-5 1 -15 2232.51 2182.01 178.41 o
-4 1 -15 1561.26 1653.36 128.37 o
-3 1 -15 325.70 295.96 43.27 o
-2 1 -15 1848.41 1926.86 155.70 o
-1 1 -15 4703.00 4835.97 200.79 o
0 1 -15 1806.34 1879.04 84.42 o
1 1 -15 771.36 706.79 22.43 o
2 1 -15 939.42 884.50 33.80 o
3 1 -15 303.73 330.05 38.85 o
4 1 -15 134.05 122.81 42.20 o
5 1 -15 102.93 71.38 62.16 o
6 1 -15 149.48 119.40 88.03 o
-5 2 -15 478.35 579.51 133.19 o
-4 2 -15 1523.61 1511.51 161.13 o
-3 2 -15 801.00 883.45 95.08 o
-2 2 -15 2854.88 2938.36 163.04 o
-1 2 -15 580.02 627.83 72.22 o
0 2 -15 2643.69 2701.76 165.08 o
1 2 -15 1510.70 1542.05 49.41 o
2 2 -15 392.72 402.21 31.75 o
3 2 -15 243.49 265.30 41.39 o
4 2 -15 89.29 88.85 41.77 o
5 2 -15 452.06 438.03 81.09 o
-5 3 -15 498.31 496.11 121.46 o
-4 3 -15 1006.13 1009.38 119.91 o
-3 3 -15 2771.38 2987.06 263.08 o
-2 3 -15 834.60 847.23 81.73 o
-1 3 -15 782.23 790.03 68.23 o
0 3 -15 839.49 927.55 54.52 o
1 3 -15 599.80 631.19 52.53 o
2 3 -15 980.00 985.73 129.44 o
3 3 -15 1606.91 1685.20 160.39 o
4 3 -15 119.60 100.91 41.98 o
5 3 -15 377.78 261.97 71.59 o
-4 4 -15 71.85 135.07 180.09 o
-3 4 -15 221.31 315.57 76.58 o
-2 4 -15 840.39 900.53 113.58 o
-1 4 -15 1919.40 2003.83 181.97 o
0 4 -15 318.09 305.71 54.40 o
1 4 -15 498.58 463.85 91.92 o
2 4 -15 1385.72 1402.90 93.34 o
3 4 -15 38.03 39.15 56.41 o
4 4 -15 1010.25 1027.09 103.44 o
5 4 -15 55.41 21.13 71.93 o
-4 5 -15 229.33 327.70 136.57 o
-3 5 -15 766.58 709.16 122.44 o
-2 5 -15 217.43 222.33 108.45 o
-1 5 -15 22.70 37.62 98.22 o
0 5 -15 1430.53 1476.13 164.25 o
1 5 -15 1285.11 1391.31 122.98 o
2 5 -15 362.29 314.36 62.50 o
3 5 -15 276.88 292.60 66.28 o
4 5 -15 290.45 312.89 96.61 o
-3 6 -15 449.28 486.55 140.71 o
-2 6 -15 317.18 346.33 106.28 o
-1 6 -15 761.31 805.47 132.47 o
0 6 -15 170.64 194.04 96.87 o
1 6 -15 267.35 279.64 88.94 o
2 6 -15 164.06 158.21 74.14 o
3 6 -15 1020.96 999.61 129.33 o
-6 0 -14 350.98 352.67 150.07 o
-4 0 -14 6769.89 7366.72 487.74 o
-2 0 -14 2513.48 2643.17 135.07 o
0 0 -14 569.31 598.42 24.39 o
2 0 -14 434.48 444.59 30.01 o
4 0 -14 1379.76 1262.49 73.16 o
6 0 -14 428.34 414.58 103.18 o
-6 1 -14 2063.64 1959.22 160.79 o
-5 1 -14 1105.10 1087.41 86.69 o
-4 1 -14 182.02 160.05 54.32 o
-3 1 -14 981.06 976.17 88.17 o
-2 1 -14 3233.78 3614.58 137.93 o
-1 1 -14 1219.33 1125.11 38.98 o
0 1 -14 1284.77 1264.21 29.82 o
1 1 -14 108.09 103.72 13.88 o
2 1 -14 1153.21 1151.85 35.60 o
3 1 -14 549.97 530.88 32.83 o
4 1 -14 45.13 42.46 32.48 o
5 1 -14 365.28 333.90 54.60 o
6 1 -14 225.90 191.61 91.41 o
-6 2 -14 420.42 401.24 117.12 o
-5 2 -14 1816.36 1764.36 158.24 o
-4 2 -14 1079.79 1032.40 90.12 o
-3 2 -14 1244.72 1304.61 90.04 o
-2 2 -14 512.77 477.45 79.73 o
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0 2 -14 3447.02 3722.10 215.73 o
1 2 -14 171.07 164.81 17.58 o
2 2 -14 1210.26 1185.58 45.96 o
3 2 -14 37.18 37.78 27.95 o
4 2 -14 112.80 125.12 37.07 o
5 2 -14 452.83 442.60 56.55 o
6 2 -14 448.26 429.10 80.60 o
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-5 3 -14 775.40 787.45 112.95 o
-4 3 -14 2240.51 2298.26 214.79 o
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-1 3 -14 1057.56 1023.70 50.95 o
0 3 -14 1.20 13.51 15.52 o
1 3 -14 1663.55 1650.99 99.42 o
2 3 -14 870.08 901.04 55.34 o
3 3 -14 250.34 249.29 35.74 o
4 3 -14 1630.52 1736.00 107.42 o
5 3 -14 321.42 325.52 66.98 o
6 3 -14 458.42 505.80 105.66 o
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-3 4 -14 2253.05 2305.76 222.55 o
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-1 4 -14 1702.41 1748.58 106.85 o
0 4 -14 477.74 458.21 42.38 o
1 4 -14 1491.72 1419.86 79.46 o
2 4 -14 306.22 257.27 47.26 o
3 4 -14 1960.47 2015.33 158.51 o
4 4 -14 44.40 79.80 49.14 o
5 4 -14 412.46 468.86 79.56 o
-4 5 -14 817.53 955.96 152.48 o
-3 5 -14 209.18 132.99 87.84 o
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-1 5 -14 1203.16 1202.76 100.36 o
0 5 -14 2098.51 2348.55 178.21 o
1 5 -14 1535.53 1425.40 128.50 o
2 5 -14 1072.41 1097.96 92.86 o
3 5 -14 285.15 363.28 68.07 o
4 5 -14 252.29 280.52 67.65 o
5 5 -14 579.58 639.08 127.99 o
-4 6 -14 542.65 639.69 211.98 o
-3 6 -14 320.67 330.74 109.38 o
-2 6 -14 2196.31 2519.55 292.64 o
-1 6 -14 177.35 211.53 88.29 o
0 6 -14 894.30 1012.28 148.20 o
1 6 -14 169.59 141.98 69.57 o
2 6 -14 1346.68 1454.57 111.40 o
3 6 -14 149.52 173.02 68.82 o
4 6 -14 1324.25 1364.49 163.04 o
-2 7 -14 146.21 207.08 121.95 o
-1 7 -14 809.74 784.45 159.45 o
0 7 -14 958.01 958.91 135.84 o
1 7 -14 482.11 481.90 106.28 o
2 7 -14 629.03 784.02 117.34 o
-5 0 -13 1980.88 2074.76 166.96 o
-3 0 -13 3507.07 3746.20 200.72 o
-1 0 -13 2655.57 2686.31 90.04 o
1 0 -13 531.31 519.63 24.39 o
3 0 -13 2697.40 2690.06 116.31 o
5 0 -13 2795.20 2691.94 185.72 o
7 0 -13 619.78 660.32 142.57 o
-7 1 -13 992.05 1054.14 160.69 o
-6 1 -13 458.78 466.31 63.00 o
-5 1 -13 591.45 533.43 54.19 o
-4 1 -13 913.58 930.45 63.78 o
-3 1 -13 1744.90 1798.56 81.57 o
-2 1 -13 592.14 617.00 35.74 o
-1 1 -13 1320.89 1263.75 37.07 o
0 1 -13 369.46 376.65 14.59 o
1 1 -13 2883.83 3012.41 71.04 o
2 1 -13 719.74 727.08 38.46 o
3 1 -13 1696.97 1690.57 47.53 o
4 1 -13 1088.64 1043.11 54.46 o
5 1 -13 452.58 411.50 49.52 o
6 1 -13 563.54 610.18 119.12 o
7 1 -13 432.67 474.06 95.91 o
-6 2 -13 1199.24 1180.34 109.28 o
-5 2 -13 2094.48 2137.00 171.59 o
-4 2 -13 86.97 135.41 55.89 o
-3 2 -13 237.96 237.17 34.28 o
-2 2 -13 140.83 156.53 26.17 o
-1 2 -13 2659.95 2836.22 217.61 o
0 2 -13 1121.57 1164.01 50.65 o
1 2 -13 2809.27 2869.48 78.79 o
2 2 -13 1413.34 1403.88 72.22 o
3 2 -13 14.05 34.18 23.44 o
4 2 -13 888.66 866.66 42.73 o
5 2 -13 318.70 341.59 47.70 o
6 2 -13 957.24 910.72 99.35 o
-6 3 -13 311.74 297.49 112.55 o
-5 3 -13 585.98 615.16 112.11 o
-4 3 -13 1302.34 1386.58 84.60 o
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-2 3 -13 699.09 655.66 35.40 o
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0 3 -13 1617.35 1660.12 77.85 o
1 3 -13 86.72 101.27 19.55 o
2 3 -13 193.11 174.88 17.61 o
3 3 -13 2326.24 2372.29 95.51 o
4 3 -13 1184.69 1190.11 70.27 o
5 3 -13 1082.96 1086.47 73.54 o
6 3 -13 74.44 72.87 76.94 o
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3 4 -13 1060.74 1107.25 63.98 o
4 4 -13 424.98 398.35 52.08 o
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6 4 -13 19.81 -17.82 61.02 o
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0 5 -13 2263.01 2210.95 116.53 o
1 5 -13 2148.04 2221.77 166.02 o
2 5 -13 1107.49 1091.87 68.63 o
3 5 -13 38.89 45.00 57.14 o
4 5 -13 228.79 192.56 56.62 o
5 5 -13 148.49 97.95 72.93 o
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-2 6 -13 242.87 191.77 90.28 o
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0 6 -13 512.77 571.98 69.25 o
1 6 -13 1245.23 1362.19 106.53 o
2 6 -13 95.55 52.04 48.86 o
3 6 -13 1007.36 1021.67 86.82 o
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-3 7 -13 348.78 387.50 115.38 o
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0 7 -13 143.30 122.92 76.94 o
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3 7 -13 72.74 43.35 82.03 o
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4 0 -12 7801.44 8325.32 429.58 o
6 0 -12 866.03 902.32 108.80 o
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-6 1 -12 327.25 345.37 69.18 o
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3 1 -12 3001.56 3141.96 83.60 o
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5 1 -12 907.05 950.62 56.18 o
6 1 -12 930.17 941.47 79.16 o
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-7 2 -12 266.14 167.25 102.55 o
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1 2 -12 5382.02 5604.25 215.73 o
2 2 -12 765.07 773.42 29.08 o
3 2 -12 2826.32 2869.37 91.94 o
4 2 -12 188.65 147.34 27.86 o
5 2 -12 1668.50 1791.47 86.47 o
6 2 -12 118.68 39.22 60.06 o
7 2 -12 639.60 668.75 118.05 o
-7 3 -12 80.27 65.66 178.21 o
-6 3 -12 73.80 93.50 94.73 o
-5 3 -12 1299.05 1288.72 104.50 o
-4 3 -12 1733.78 1734.86 100.82 o
-3 3 -12 451.56 431.83 30.82 o
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0 3 -12 1331.87 1381.64 113.49 o
1 3 -12 1117.85 1093.85 43.15 o
2 3 -12 1538.97 1521.31 47.26 o
3 3 -12 911.61 941.71 43.77 o
4 3 -12 1936.57 1848.05 95.67 o
5 3 -12 426.11 402.12 52.38 o
6 3 -12 485.11 494.32 83.21 o
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