#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:31:14 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181246 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/24/2232497.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_2232497_Fobs
loop_
_publ_author_name
'de Lima, Geraldo M.'
'Tiekink, Edward R. T.'
'Wardell, James L.'
'Wardell, Solange M. S. V.'
_publ_section_title
;
 (2-Carbamoylethyl-\k^2^<i>C</i>^1^,<i>O</i>)triiodidotin(IV)
;
_journal_coeditor_code           WM2541
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1536
_journal_page_last               m1537
_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                98.801
_cell_angle_beta                 105.523
_cell_angle_gamma                102.383
_cell_length_a                   7.8530
_cell_length_b                   10.6264
_cell_length_c                   14.1250
_exptl_crystal_F_000             992.00
_reflns_d_resolution_high        0.7965
_cod_data_source_file            wm2541Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 2007src0690 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            395.45
_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 28009.88 27371.85 997.42 o
3 0 0 4.96 24.95 6.95 o
4 0 0 584.39 635.06 18.79 o
5 0 0 18345.84 16672.95 677.94 o
6 0 0 2120.41 2117.73 73.16 o
7 0 0 16731.30 16523.28 511.34 o
8 0 0 7149.61 7960.02 476.57 o
9 0 0 2671.91 2873.22 168.36 o
-9 1 0 10688.40 11466.79 541.24 o
-8 1 0 256.68 310.69 23.63 o
-7 1 0 643.74 750.67 35.71 o
-6 1 0 21585.87 22817.37 739.23 o
-5 1 0 3315.94 3321.70 115.14 o
-3 1 0 38391.91 35674.00 2101.47 o
-2 1 0 12274.63 12115.40 274.25 o
-1 1 0 291.61 333.50 19.02 o
1 1 0 600.98 616.67 15.37 o
3 1 0 17484.30 18044.50 424.02 o
4 1 0 672.12 778.68 35.72 o
5 1 0 15308.57 15866.66 523.88 o
6 1 0 1195.44 1222.05 40.04 o
7 1 0 6048.99 6340.91 222.55 o
8 1 0 410.20 521.37 44.06 o
-9 2 0 2058.92 2130.71 91.12 o
-8 2 0 1577.65 1978.82 80.51 o
-7 2 0 67998.77 73711.02 4850.90 o
-6 2 0 3525.21 4095.64 142.38 o
-5 2 0 62.00 68.48 10.40 o
-4 2 0 15173.33 13936.05 879.47 o
-3 2 0 1670.19 1556.18 45.36 o
-1 2 0 32791.10 22394.97 1200.12 o
2 2 0 14049.20 13956.68 296.07 o
3 2 0 330.76 413.89 17.22 o
4 2 0 11291.13 11459.03 289.02 o
5 2 0 1045.19 1061.49 28.79 o
6 2 0 607.98 606.64 27.38 o
7 2 0 1087.54 1008.74 39.04 o
8 2 0 13224.71 13998.21 726.35 o
-8 3 0 6357.26 8421.45 458.87 o
-7 3 0 122.75 243.18 30.59 o
-6 3 0 16.33 165.83 28.24 o
-5 3 0 47895.89 43208.68 3579.12 o
-4 3 0 47451.18 40361.04 1901.32 o
-3 3 0 7624.56 7071.25 144.45 o
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-1 3 0 2036.73 2120.90 46.76 o
1 3 0 4709.77 4631.60 107.61 o
2 3 0 48903.63 47995.21 1329.52 o
3 3 0 4015.81 3997.08 85.32 o
4 3 0 28895.65 29868.60 739.87 o
5 3 0 14808.83 15311.75 356.42 o
6 3 0 8732.48 8876.34 378.52 o
7 3 0 5659.82 5773.16 260.68 o
8 3 0 65.46 112.22 19.03 o
-9 4 0 18591.63 23724.20 970.99 o
-8 4 0 6520.52 7338.72 393.54 o
-7 4 0 5267.99 5913.08 217.67 o
-6 4 0 957.40 948.97 48.91 o
-5 4 0 699.74 679.20 29.13 o
-4 4 0 9944.74 9935.08 236.48 o
-3 4 0 355.95 358.77 9.36 o
-2 4 0 56183.16 51040.23 1552.40 o
-1 4 0 16623.38 17339.71 387.87 o
0 4 0 6240.96 6020.60 165.22 o
1 4 0 58609.42 56614.69 1879.73 o
2 4 0 201.84 217.77 16.49 o
3 4 0 4051.67 4006.35 97.41 o
4 4 0 24864.03 25377.46 739.66 o
5 4 0 159.59 199.26 9.21 o
6 4 0 4220.22 4231.45 173.36 o
7 4 0 80.42 94.61 15.70 o
-9 5 0 117.57 181.15 30.74 o
-8 5 0 2567.20 2854.95 163.46 o
-7 5 0 14233.24 13843.12 504.93 o
-6 5 0 328.98 255.45 29.58 o
-5 5 0 56944.72 50500.64 1752.08 o
-4 5 0 1811.34 1799.03 51.38 o
-3 5 0 54989.83 51799.19 1130.80 o
-2 5 0 5955.07 6158.23 150.99 o
-1 5 0 39701.34 39486.77 1000.68 o
0 5 0 119440.53 108640.52 7047.92 o
1 5 0 301.03 317.06 10.63 o
2 5 0 479.80 520.78 18.76 o
3 5 0 3605.79 3665.22 93.69 o
4 5 0 2423.81 2644.01 77.24 o
5 5 0 122.71 142.07 9.73 o
6 5 0 700.25 774.07 37.92 o
7 5 0 1800.55 2062.88 245.98 o
-9 6 0 26312.18 29964.85 1599.59 o
-8 6 0 5618.77 5737.98 582.62 o
-7 6 0 14868.90 10921.01 827.07 o
-6 6 0 1342.88 1321.64 67.35 o
-5 6 0 2913.73 2758.94 104.25 o
-4 6 0 16036.37 15509.68 335.06 o
-3 6 0 17891.82 17012.88 415.24 o
-2 6 0 2611.10 2560.65 51.79 o
-1 6 0 7197.48 7340.97 172.16 o
0 6 0 16534.54 16964.42 438.85 o
1 6 0 5542.35 5693.13 133.76 o
2 6 0 13591.72 13427.34 323.50 o
3 6 0 20.20 807.14 507.32 o
4 6 0 1066.41 1148.65 28.16 o
5 6 0 616.06 613.23 31.28 o
6 6 0 3460.44 4209.52 201.06 o
-9 7 0 54.43 44.71 27.41 o
-8 7 0 1597.57 1435.84 95.64 o
-7 7 0 38946.55 29000.92 1516.81 o
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-5 7 0 916.72 993.28 35.31 o
-4 7 0 9448.42 9513.49 204.12 o
-3 7 0 17.64 38.77 6.47 o
-2 7 0 9538.79 9188.16 231.31 o
-1 7 0 29.07 65.80 4.89 o
0 7 0 4944.35 5161.92 144.96 o
1 7 0 12944.79 12923.86 315.76 o
2 7 0 1224.82 1290.90 35.27 o
4 7 0 7882.72 7972.79 232.52 o
5 7 0 2673.45 2802.14 157.24 o
6 7 0 1590.54 1779.32 86.80 o
-8 8 0 1439.53 1042.51 138.15 o
-7 8 0 7616.78 5683.88 315.05 o
-6 8 0 2933.69 2627.78 125.69 o
-5 8 0 8429.21 8205.33 290.48 o
-4 8 0 6084.65 6013.02 136.21 o
-3 8 0 7086.84 6854.33 161.93 o
-2 8 0 252.35 284.18 11.88 o
-1 8 0 2497.31 2542.27 58.35 o
0 8 0 48548.84 48753.40 1222.23 o
1 8 0 10470.58 10599.53 247.94 o
2 8 0 180.70 191.10 10.43 o
3 8 0 347.71 383.29 24.32 o
4 8 0 0.83 24.15 6.30 o
5 8 0 16.43 48.72 18.69 o
-8 9 0 678.85 441.51 44.59 o
-7 9 0 351.29 391.22 71.63 o
-6 9 0 76.53 78.90 19.79 o
-5 9 0 137.31 154.92 9.82 o
-4 9 0 17950.91 17275.00 422.65 o
-3 9 0 39.38 83.82 12.94 o
-2 9 0 816.20 793.37 29.46 o
-1 9 0 423.52 386.89 14.84 o
0 9 0 989.25 1021.91 49.73 o
1 9 0 148.82 135.79 13.57 o
2 9 0 10.04 39.50 8.52 o
3 9 0 957.07 871.64 38.33 o
4 9 0 1092.90 1156.46 57.80 o
-7 10 0 11303.40 9965.22 443.82 o
-6 10 0 9160.63 8697.27 364.83 o
-5 10 0 1089.15 1064.81 38.63 o
-4 10 0 2188.02 2236.28 67.80 o
-3 10 0 508.43 571.31 25.05 o
-2 10 0 2933.74 3079.97 103.59 o
-1 10 0 3927.30 3973.54 152.88 o
0 10 0 7789.80 7848.79 201.60 o
1 10 0 6897.73 6859.26 205.73 o
2 10 0 269.84 250.77 26.23 o
3 10 0 489.80 371.11 25.96 o
4 10 0 1104.79 1167.38 64.66 o
-7 11 0 286.16 243.90 42.22 o
-6 11 0 213.70 219.81 38.20 o
-5 11 0 994.53 906.25 45.50 o
-4 11 0 254.59 255.81 18.03 o
-3 11 0 1954.55 1894.53 69.06 o
-2 11 0 122.51 134.70 11.84 o
-1 11 0 177.88 215.18 15.35 o
0 11 0 192.46 232.33 14.92 o
1 11 0 11577.50 12131.50 643.46 o
2 11 0 2670.19 2571.78 156.18 o
-6 12 0 470.63 495.55 62.43 o
-5 12 0 558.07 550.27 41.61 o
-4 12 0 445.13 472.16 32.19 o
-3 12 0 2338.56 2501.99 107.23 o
-2 12 0 113.29 93.65 25.40 o
-1 12 0 515.60 590.37 56.48 o
0 12 0 539.49 538.56 53.98 o
1 12 0 5450.07 5357.82 282.11 o
-4 13 0 509.08 522.82 49.28 o
-3 13 0 7013.52 7281.42 400.87 o
-2 13 0 682.15 698.29 59.11 o
-1 13 0 14669.05 15624.67 623.40 o
1 -13 1 1673.03 1611.02 71.49 o
2 -13 1 480.83 479.66 33.71 o
3 -13 1 237.73 189.09 27.27 o
4 -13 1 26629.65 26047.11 1154.86 o
0 -12 1 16071.86 15703.37 804.56 o
1 -12 1 1713.23 1820.16 166.94 o
2 -12 1 2388.11 2292.01 90.72 o
3 -12 1 7097.89 7061.77 266.39 o
4 -12 1 305.44 242.24 35.16 o
5 -12 1 534.28 572.65 60.21 o
6 -12 1 14459.46 12113.36 781.81 o
-3 -11 1 11463.43 11375.31 737.52 o
-2 -11 1 1660.97 1633.80 60.68 o
-1 -11 1 1253.67 1260.67 44.91 o
0 -11 1 11034.07 10900.73 326.58 o
1 -11 1 216.22 190.71 11.84 o
2 -11 1 33880.90 34434.81 1043.66 o
3 -11 1 512.27 512.90 29.37 o
4 -11 1 714.73 678.37 26.82 o
5 -11 1 149.60 135.38 23.74 o
6 -11 1 17.49 54.12 19.24 o
7 -11 1 165.96 93.94 18.23 o
-4 -10 1 20488.84 21404.63 820.43 o
-3 -10 1 54.98 52.46 12.46 o
-2 -10 1 3850.16 3875.34 129.64 o
-1 -10 1 10680.39 10528.02 330.41 o
0 -10 1 1934.35 1990.20 58.05 o
1 -10 1 0.28 44.43 8.72 o
2 -10 1 224.71 259.94 13.82 o
3 -10 1 11949.45 11691.36 361.36 o
4 -10 1 37174.74 36482.61 1044.64 o
5 -10 1 55.71 56.52 10.24 o
6 -10 1 697.77 607.36 45.04 o
7 -10 1 1104.05 904.18 83.61 o
-5 -9 1 12966.22 14713.37 1073.21 o
-4 -9 1 2034.21 2089.00 123.36 o
-3 -9 1 70.34 59.69 8.52 o
-2 -9 1 4191.61 4189.38 218.98 o
-1 -9 1 10061.67 10031.99 302.97 o
0 -9 1 14291.00 14298.11 343.30 o
1 -9 1 8640.58 8489.41 220.08 o
2 -9 1 2347.63 2230.99 79.29 o
3 -9 1 3037.81 2930.07 63.24 o
4 -9 1 238.87 239.76 13.26 o
5 -9 1 1375.73 1331.14 49.97 o
6 -9 1 1342.76 1258.57 63.50 o
8 -9 1 5303.19 3978.93 437.55 o
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-3 -8 1 30893.16 30818.21 880.66 o
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0 -8 1 6724.18 6694.29 165.35 o
1 -8 1 1314.20 1356.79 41.20 o
2 -8 1 12912.85 12545.66 373.61 o
3 -8 1 11534.94 11495.47 229.40 o
4 -8 1 36923.37 35572.23 758.38 o
5 -8 1 103.86 158.62 14.55 o
6 -8 1 1572.90 1379.52 61.92 o
7 -8 1 22.96 117.80 35.71 o
8 -8 1 692.01 552.44 69.90 o
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0 -7 1 21163.93 21185.36 545.28 o
1 -7 1 9699.70 9805.74 217.51 o
2 -7 1 1158.29 1189.28 24.82 o
3 -7 1 733.35 771.78 17.16 o
4 -7 1 13789.78 13448.10 319.65 o
5 -7 1 3818.95 4171.52 140.05 o
6 -7 1 3699.16 3913.63 404.28 o
7 -7 1 34.06 50.56 20.54 o
8 -7 1 13.47 49.14 19.25 o
-7 -6 1 49.45 89.02 19.25 o
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-3 -6 1 41251.58 40452.18 962.27 o
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0 -6 1 3431.76 3503.40 86.63 o
1 -6 1 932.25 987.88 28.68 o
2 -6 1 13370.42 12843.10 312.70 o
3 -6 1 184.26 182.28 6.99 o
4 -6 1 1437.06 1478.73 41.14 o
5 -6 1 515.31 554.14 22.12 o
6 -6 1 25.04 26.67 12.09 o
7 -6 1 415.96 462.34 46.72 o
8 -6 1 6203.28 6986.28 326.13 o
9 -6 1 3770.81 4350.99 343.01 o
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-2 -5 1 3242.85 3259.88 85.84 o
-1 -5 1 12019.68 12685.45 322.89 o
0 -5 1 12258.35 12728.36 327.99 o
1 -5 1 5656.23 5645.02 125.25 o
2 -5 1 1336.35 1366.16 31.37 o
3 -5 1 29501.17 28053.85 579.13 o
4 -5 1 78360.59 70915.73 1804.26 o
5 -5 1 12900.81 13060.89 431.13 o
6 -5 1 8958.25 7926.96 288.87 o
7 -5 1 5358.75 6177.50 283.87 o
8 -5 1 4440.42 5495.29 302.56 o
9 -5 1 1280.08 1442.48 122.64 o
-8 -4 1 978.45 1055.25 122.30 o
-7 -4 1 2859.54 2932.73 132.95 o
-6 -4 1 8448.86 9087.91 501.64 o
-5 -4 1 18391.47 19116.05 539.35 o
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-3 -4 1 4073.67 3812.77 85.45 o
-2 -4 1 20.29 42.50 9.34 o
-1 -4 1 10988.73 11106.23 280.85 o
0 -4 1 32378.09 32551.55 908.46 o
1 -4 1 122.35 158.17 6.53 o
2 -4 1 14790.30 14641.54 299.20 o
3 -4 1 705.59 648.76 18.40 o
4 -4 1 7866.01 7572.04 292.98 o
5 -4 1 3644.33 3608.91 181.59 o
6 -4 1 9388.65 9887.85 291.81 o
7 -4 1 2271.16 2631.98 130.80 o
8 -4 1 781.06 977.02 64.85 o
9 -4 1 813.87 722.52 55.33 o
-8 -3 1 9287.82 9389.41 575.42 o
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-4 -3 1 6262.51 6605.97 150.94 o
-3 -3 1 59000.41 58216.18 1600.41 o
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0 -3 1 27632.92 27092.03 717.61 o
1 -3 1 10506.50 10840.74 237.28 o
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3 -3 1 10960.62 9853.34 289.56 o
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5 -3 1 17726.77 19270.62 630.12 o
6 -3 1 1665.54 1955.33 66.24 o
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8 -3 1 174.28 225.99 17.37 o
9 -3 1 120.39 620.41 205.14 o
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5 -2 1 9938.96 11019.68 459.57 o
6 -2 1 3250.46 3554.10 106.63 o
7 -2 1 61.24 144.66 27.27 o
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-9 -1 1 93.03 105.01 20.21 o
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-1 -1 1 34442.97 21740.09 1407.20 o
1 -1 1 225.11 236.49 11.40 o
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1 1 1 5151.02 5257.79 121.63 o
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3 1 1 11468.80 11292.88 268.42 o
4 1 1 3198.25 3414.59 84.76 o
5 1 1 80066.24 77906.84 2341.89 o
6 1 1 444.97 451.81 26.83 o
7 1 1 2538.99 2587.38 130.28 o
8 1 1 2823.44 2947.95 176.78 o
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-8 2 1 694.38 804.51 37.96 o
-7 2 1 3370.58 3791.27 160.80 o
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-5 2 1 4708.22 4551.76 246.74 o
-4 2 1 56567.30 48799.19 2048.84 o
-3 2 1 64707.35 59068.35 2309.83 o
-2 2 1 7771.18 7735.25 190.01 o
-1 2 1 29469.27 27433.54 802.46 o
0 2 1 65.45 165.40 32.88 o
2 2 1 11221.52 10720.37 253.02 o
3 2 1 2577.26 2786.79 200.89 o
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5 2 1 6350.06 6336.81 149.82 o
6 2 1 1956.86 2050.91 78.19 o
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8 2 1 934.86 1000.57 68.01 o
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