#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/92/2229292.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_2229292_Fobs
loop_
_publ_author_name
'Najafi, Ezzatollah'
'Amini, Mostafa M.'
'Ng, Seik Weng'
_publ_section_title
;
 Di-\m~2~-methanolato-bis(\m-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazolido-\k^2^<i>N</i>^1^:<i>N</i>^2^)di-\m~3~-oxido-tetrakis[dimethyltin(IV)]
;
_journal_coeditor_code           XU5141
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m242
_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                71.681
_cell_angle_beta                 76.780
_cell_angle_gamma                77.118
_cell_length_a                   7.3693
_cell_length_b                   9.3457
_cell_length_c                   11.9930
_exptl_crystal_F_000             440.00
_reflns_d_resolution_high        0.7697
_[local]_cod_data_source_file    xu5141Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            237.98
_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 8724.52 8813.20 110.43 o
2 0 0 4171.94 4240.02 104.39 o
3 0 0 722.30 653.76 50.30 o
4 0 0 298.42 329.84 41.72 o
5 0 0 3919.37 3894.52 115.59 o
6 0 0 7740.10 7355.00 251.68 o
7 0 0 432.69 449.42 67.07 o
8 0 0 0.06 -20.03 17.47 o
9 0 0 1165.68 1162.79 128.35 o
-8 1 0 318.17 292.14 60.10 o
-7 1 0 276.47 291.48 55.07 o
-6 1 0 4272.62 4373.04 194.11 o
-5 1 0 10365.29 9791.72 427.32 o
-4 1 0 22.65 27.51 12.98 o
-3 1 0 379.24 366.22 38.57 o
-2 1 0 7546.13 7409.05 148.45 o
-1 1 0 23.46 25.42 6.88 o
0 1 0 11962.38 11860.56 118.04 o
1 1 0 1697.59 1601.23 51.78 o
2 1 0 12.67 16.81 7.33 o
3 1 0 4714.09 4626.80 136.41 o
4 1 0 12649.09 12161.97 261.47 o
5 1 0 64.28 67.10 17.68 o
6 1 0 2939.74 3018.17 160.18 o
7 1 0 279.03 287.16 54.84 o
8 1 0 128.30 188.19 46.76 o
9 1 0 2370.93 2415.08 185.34 o
-8 2 0 2409.90 2313.70 171.86 o
-7 2 0 3142.14 3579.63 197.50 o
-6 2 0 728.68 799.50 84.24 o
-5 2 0 1061.22 1063.75 88.87 o
-4 2 0 144.97 144.42 29.51 o
-3 2 0 4058.01 2375.88 2155.39 o
-2 2 0 15127.15 14407.36 236.52 o
-1 2 0 5661.35 5647.89 166.39 o
0 2 0 0.42 7.53 2.20 o
1 2 0 31.97 42.38 6.85 o
2 2 0 248.00 201.60 25.75 o
3 2 0 1306.34 1362.88 78.64 o
4 2 0 14051.55 14126.69 289.64 o
5 2 0 567.20 524.12 42.72 o
6 2 0 68.21 81.12 27.23 o
7 2 0 2534.52 2693.94 167.97 o
8 2 0 570.05 632.94 89.06 o
9 2 0 236.55 217.11 56.68 o
-8 3 0 2516.72 2758.67 192.49 o
-7 3 0 2227.89 2539.33 170.52 o
-6 3 0 153.71 213.09 45.86 o
-5 3 0 1276.26 1257.03 101.31 o
-4 3 0 6614.03 6604.08 231.98 o
-3 3 0 346.73 315.86 41.32 o
-2 3 0 6103.97 6011.32 175.45 o
-1 3 0 6611.05 6511.27 78.53 o
0 3 0 3334.13 3475.84 45.02 o
1 3 0 5885.20 5909.58 65.14 o
2 3 0 18647.46 18827.06 160.34 o
3 3 0 9.21 6.26 10.34 o
4 3 0 330.22 354.49 47.55 o
5 3 0 895.36 832.70 45.46 o
6 3 0 4.50 0.56 6.59 o
7 3 0 3131.81 3102.47 184.56 o
8 3 0 3429.33 3382.36 207.62 o
9 3 0 221.79 199.38 55.68 o
-7 4 0 349.71 361.75 67.06 o
-6 4 0 54.63 49.46 24.68 o
-5 4 0 25.05 12.64 12.46 o
-4 4 0 8820.86 8639.09 165.11 o
-3 4 0 5468.91 5279.28 117.80 o
-2 4 0 881.95 913.29 41.57 o
-1 4 0 2260.83 2376.01 77.04 o
0 4 0 13453.89 13705.10 105.65 o
1 4 0 3110.12 3056.92 51.95 o
2 4 0 15869.34 16025.22 193.09 o
3 4 0 2658.40 2722.94 83.01 o
4 4 0 449.85 438.82 31.31 o
5 4 0 4240.86 4095.33 187.41 o
6 4 0 2932.72 2989.23 171.07 o
7 4 0 947.91 869.93 100.37 o
8 4 0 1848.23 1808.11 154.56 o
-7 5 0 1.45 2.75 10.63 o
-6 5 0 2663.15 2739.66 119.99 o
-5 5 0 1944.96 2009.63 89.64 o
-4 5 0 2872.36 2893.13 97.58 o
-3 5 0 2671.69 2648.86 83.67 o
-2 5 0 3.29 5.38 3.36 o
-1 5 0 3757.30 3612.17 59.90 o
0 5 0 13713.99 13508.20 128.28 o
1 5 0 934.87 987.44 36.12 o
2 5 0 1672.83 1700.26 60.89 o
3 5 0 279.43 307.69 26.42 o
4 5 0 1955.80 1933.81 69.97 o
5 5 0 2619.99 2542.80 154.46 o
6 5 0 9960.70 9780.94 329.36 o
7 5 0 63.87 66.33 28.54 o
8 5 0 11.28 13.95 13.82 o
-7 6 0 13.46 32.11 23.13 o
-6 6 0 5072.87 5147.96 158.11 o
-5 6 0 2292.37 2476.72 121.91 o
-4 6 0 2.18 17.77 8.38 o
-3 6 0 404.66 439.08 35.64 o
-2 6 0 973.10 1009.77 50.46 o
-1 6 0 0.71 6.67 4.01 o
0 6 0 10698.35 11070.84 125.68 o
1 6 0 6673.62 6675.57 173.04 o
2 6 0 0.26 8.76 7.09 o
3 6 0 2408.84 2336.15 74.10 o
4 6 0 4039.16 3935.32 132.37 o
5 6 0 841.89 793.49 90.75 o
6 6 0 2488.20 2537.00 174.62 o
7 6 0 74.60 54.91 26.46 o
8 6 0 67.96 81.10 34.25 o
-6 7 0 485.77 501.27 80.05 o
-5 7 0 694.44 743.04 56.06 o
-4 7 0 1.43 2.90 4.64 o
-3 7 0 542.27 548.10 41.37 o
-2 7 0 6531.36 6842.68 139.14 o
-1 7 0 1951.27 1915.97 61.72 o
0 7 0 823.39 842.68 33.36 o
1 7 0 294.60 296.72 20.47 o
2 7 0 279.82 257.22 24.53 o
3 7 0 3987.83 3743.76 133.07 o
4 7 0 4684.59 5009.06 231.31 o
5 7 0 180.24 176.90 46.02 o
6 7 0 18.71 14.85 15.20 o
7 7 0 884.75 1010.21 122.52 o
-5 8 0 0.12 -14.78 20.29 o
-4 8 0 1524.08 1542.33 130.30 o
-3 8 0 0.52 3.73 7.10 o
-2 8 0 6924.53 6870.58 169.86 o
-1 8 0 1307.69 1361.61 63.02 o
0 8 0 353.56 316.24 23.87 o
1 8 0 2512.35 2452.83 130.66 o
2 8 0 3850.52 3645.66 179.48 o
3 8 0 88.18 82.60 19.57 o
4 8 0 2094.80 2334.89 168.78 o
5 8 0 497.15 603.41 89.10 o
6 8 0 4.37 20.82 18.22 o
7 8 0 2199.42 2080.62 183.71 o
-4 9 0 4589.67 4654.75 237.77 o
-3 9 0 1538.82 1556.65 130.41 o
-2 9 0 13.47 26.74 17.77 o
-1 9 0 22.51 32.73 11.12 o
0 9 0 166.29 108.58 18.48 o
1 9 0 1209.15 1194.05 103.66 o
2 9 0 7851.46 7429.27 192.59 o
3 9 0 1119.29 1139.80 104.95 o
4 9 0 383.62 418.16 50.17 o
5 9 0 1094.40 1288.65 137.72 o
6 9 0 1166.25 1008.19 127.56 o
-3 10 0 1422.22 1307.90 125.81 o
-2 10 0 129.12 130.51 38.54 o
-1 10 0 335.06 309.30 58.53 o
0 10 0 2836.03 2951.43 173.68 o
1 10 0 93.36 126.35 36.99 o
2 10 0 1532.53 1405.42 120.01 o
3 10 0 104.21 122.81 36.24 o
4 10 0 0.38 -18.80 12.53 o
5 10 0 2052.43 2101.81 186.29 o
-1 11 0 186.26 204.40 49.71 o
0 11 0 4093.24 4021.67 214.03 o
1 11 0 479.03 495.63 74.77 o
2 11 0 6.68 16.37 15.69 o
3 11 0 335.41 304.49 59.97 o
4 11 0 310.02 329.30 64.82 o
-3 -11 1 1964.22 1904.98 150.14 o
-2 -11 1 819.81 714.62 89.06 o
-1 -11 1 54.21 82.96 33.43 o
0 -11 1 768.94 660.00 85.78 o
-4 -10 1 1231.69 1446.48 153.35 o
-3 -10 1 14.47 23.74 17.61 o
-2 -10 1 50.69 57.49 24.00 o
-1 -10 1 111.82 148.70 38.22 o
0 -10 1 494.94 444.64 66.95 o
1 -10 1 4333.42 4311.48 209.69 o
2 -10 1 374.10 280.12 55.41 o
-5 -9 1 1392.63 1602.63 155.85 o
-4 -9 1 2911.50 3109.96 211.10 o
-3 -9 1 9.21 21.58 14.92 o
-2 -9 1 931.35 766.63 83.01 o
-1 -9 1 5613.91 5546.33 142.64 o
0 -9 1 55.56 50.01 13.51 o
1 -9 1 1246.36 1226.26 65.80 o
2 -9 1 165.81 181.25 42.39 o
3 -9 1 20.79 20.39 14.32 o
4 -9 1 1820.91 1732.43 142.19 o
-6 -8 1 1960.87 2080.11 176.10 o
-5 -8 1 620.47 662.30 94.50 o
-4 -8 1 160.51 141.90 44.54 o
-3 -8 1 1222.30 1294.32 105.84 o
-2 -8 1 1371.84 1343.16 72.46 o
-1 -8 1 8291.81 8349.78 167.50 o
0 -8 1 1515.46 1534.73 56.90 o
1 -8 1 148.72 125.34 16.46 o
2 -8 1 61.24 94.10 32.61 o
3 -8 1 1275.16 1281.68 69.08 o
4 -8 1 199.11 168.14 44.36 o
5 -8 1 2150.33 1871.49 149.17 o
-7 -7 1 1800.24 1845.85 168.02 o
-6 -7 1 2639.83 2953.54 200.74 o
-5 -7 1 62.72 69.52 30.72 o
-4 -7 1 762.75 816.23 94.14 o
-3 -7 1 3991.91 3820.99 186.71 o
-2 -7 1 594.23 573.41 41.81 o
-1 -7 1 759.82 770.00 34.81 o
0 -7 1 882.67 870.81 36.17 o
1 -7 1 117.22 107.80 13.10 o
2 -7 1 3036.04 3067.39 97.67 o
3 -7 1 9629.63 9852.10 185.26 o
4 -7 1 36.91 45.93 13.53 o
5 -7 1 209.25 173.47 28.32 o
6 -7 1 129.86 58.94 28.21 o
-8 -6 1 1228.37 1299.06 142.38 o
-7 -6 1 68.51 106.05 37.37 o
-6 -6 1 5.37 30.02 19.45 o
-5 -6 1 204.13 196.14 46.28 o
-4 -6 1 39.86 41.99 20.74 o
-3 -6 1 6663.40 6404.59 111.33 o
-2 -6 1 4881.33 4780.28 122.67 o
-1 -6 1 538.58 586.49 32.29 o
0 -6 1 915.23 867.49 37.89 o
1 -6 1 5835.14 5800.70 123.93 o
2 -6 1 85.25 87.06 16.01 o
3 -6 1 3401.99 3383.97 102.83 o
4 -6 1 314.64 352.31 35.50 o
5 -6 1 147.28 137.62 24.11 o
6 -6 1 1631.70 1641.20 89.87 o
7 -6 1 1902.39 1809.60 108.06 o
-8 -5 1 1273.74 1374.15 142.94 o
-7 -5 1 1.08 -15.68 14.26 o
-6 -5 1 197.84 207.45 48.35 o
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-4 -5 1 3841.54 3630.15 98.91 o
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-2 -5 1 706.75 688.83 35.51 o
-1 -5 1 89.83 96.67 12.25 o
0 -5 1 7274.11 7244.34 102.08 o
1 -5 1 12870.83 12815.23 122.90 o
2 -5 1 1490.76 1401.40 50.11 o
3 -5 1 67.46 68.75 14.36 o
4 -5 1 184.89 139.01 38.18 o
5 -5 1 230.81 219.71 29.81 o
6 -5 1 2455.61 2567.60 111.35 o
7 -5 1 4679.41 4716.01 163.44 o
-8 -4 1 133.78 134.15 46.76 o
-7 -4 1 1008.71 1116.37 115.93 o
-6 -4 1 52.33 39.77 21.40 o
-5 -4 1 8574.17 9121.67 288.00 o
-4 -4 1 4519.18 4341.27 119.47 o
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0 -4 1 28.19 34.40 5.80 o
1 -4 1 12602.82 12878.74 112.47 o
2 -4 1 5680.11 5746.39 109.65 o
3 -4 1 60.84 49.44 10.72 o
4 -4 1 5022.01 4860.34 124.46 o
5 -4 1 4543.01 4461.56 131.15 o
6 -4 1 340.35 350.94 40.67 o
7 -4 1 708.43 679.02 61.40 o
8 -4 1 42.79 52.67 19.00 o
-8 -3 1 35.96 22.42 20.93 o
-7 -3 1 6105.91 6264.90 269.24 o
-6 -3 1 2290.40 2398.94 152.47 o
-5 -3 1 959.91 900.14 85.12 o
-4 -3 1 3295.61 3332.93 107.46 o
-3 -3 1 4.06 1.14 3.75 o
-2 -3 1 1312.74 1391.66 44.49 o
-1 -3 1 27304.00 28317.20 203.20 o
0 -3 1 5875.71 5890.32 64.81 o
1 -3 1 5078.12 5273.46 63.32 o
2 -3 1 88.75 64.84 9.20 o
3 -3 1 3121.60 3189.68 106.76 o
4 -3 1 3799.34 3898.48 163.04 o
5 -3 1 6968.89 6875.33 233.31 o
6 -3 1 747.41 748.77 83.62 o
7 -3 1 0.64 12.22 11.84 o
8 -3 1 554.92 571.95 86.25 o
-8 -2 1 5.41 -11.90 19.31 o
-7 -2 1 2744.66 2773.45 174.73 o
-6 -2 1 4495.33 4376.79 200.90 o
-5 -2 1 363.00 345.72 53.58 o
-4 -2 1 13.28 27.20 12.78 o
-3 -2 1 7538.68 7732.52 196.48 o
-2 -2 1 375.84 404.69 26.78 o
-1 -2 1 16767.93 16427.99 159.86 o
0 -2 1 4501.63 4518.43 50.22 o
1 -2 1 296.25 320.48 15.41 o
2 -2 1 7017.66 6855.55 106.99 o
3 -2 1 7468.23 970.65 3649.48 o
4 -2 1 9.99 10.29 8.91 o
5 -2 1 1140.83 1072.90 62.39 o
6 -2 1 0.07 22.57 14.31 o
7 -2 1 521.55 552.65 76.02 o
8 -2 1 2421.33 2535.65 177.36 o
-8 -1 1 1796.66 1720.18 147.99 o
-7 -1 1 253.18 274.82 55.25 o
-6 -1 1 2050.41 2035.05 134.75 o
-5 -1 1 94.71 130.83 22.00 o
-4 -1 1 823.19 841.36 69.80 o
-3 -1 1 22752.66 23360.99 331.90 o
-2 -1 1 990.88 922.35 53.76 o
-1 -1 1 18.85 24.64 6.60 o
0 -1 1 1732.24 1771.14 24.47 o
1 -1 1 613.56 614.45 32.85 o
2 -1 1 308.08 273.36 19.03 o
3 -1 1 17761.44 17618.11 191.61 o
4 -1 1 2210.09 2118.44 104.66 o
5 -1 1 1.30 4.22 5.22 o
6 -1 1 3751.96 3774.70 176.62 o
7 -1 1 2014.95 2163.49 146.81 o
8 -1 1 1124.06 1101.73 114.65 o
9 -1 1 1108.88 1181.16 127.96 o
-8 0 1 2748.53 3018.07 195.25 o
-7 0 1 243.28 190.28 45.12 o
-6 0 1 509.67 489.96 66.25 o
-5 0 1 9297.92 9493.13 230.70 o
-4 0 1 836.43 783.21 66.67 o
-3 0 1 7826.78 7756.70 183.88 o
-2 0 1 2108.57 2007.53 76.70 o
-1 0 1 1203.96 1240.66 45.01 o
2 0 1 9635.73 9960.55 108.65 o
3 0 1 3270.17 3341.74 76.88 o
4 0 1 67.40 64.08 12.29 o
5 0 1 27.99 24.67 9.18 o
6 0 1 6035.96 6043.89 221.45 o
7 0 1 4259.90 4620.02 212.53 o
8 0 1 47.78 51.67 22.47 o
9 0 1 0.53 -18.28 19.58 o
-8 1 1 903.54 915.30 108.34 o
-7 1 1 60.04 78.91 29.30 o
-6 1 1 325.74 357.45 56.86 o
-5 1 1 7858.25 7776.83 241.25 o
-4 1 1 9303.40 9301.36 236.09 o
-3 1 1 173.00 182.69 28.27 o
-2 1 1 28.78 24.77 9.03 o
-1 1 1 4536.35 4560.20 95.88 o
0 1 1 6050.03 6118.56 89.45 o
1 1 1 51414.65 52246.96 352.93 o
2 1 1 151.87 156.68 13.32 o
3 1 1 1712.32 1780.06 56.35 o
4 1 1 7554.00 5478.96 2063.69 o
5 1 1 3633.65 3714.43 109.17 o
6 1 1 400.97 454.54 61.46 o
7 1 1 4418.94 4376.50 207.59 o
8 1 1 254.03 250.66 54.44 o
9 1 1 0.68 -5.11 12.39 o
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-3 2 1 352.43 292.90 38.01 o
-2 2 1 4389.87 4405.21 128.12 o
-1 2 1 35648.13 36937.16 353.47 o
0 2 1 6131.53 6204.61 119.58 o
1 2 1 690.12 652.57 38.17 o
2 2 1 3227.42 3392.82 99.91 o
3 2 1 70.00 102.63 35.76 o
4 2 1 5664.66 5605.37 120.36 o
5 2 1 12477.35 12310.97 203.33 o
6 2 1 382.35 488.73 63.07 o
7 2 1 610.28 459.92 68.09 o
8 2 1 883.21 940.42 105.62 o
9 2 1 127.81 159.20 47.97 o
-8 3 1 8.08 20.05 21.76 o
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-3 3 1 2159.61 2161.99 167.42 o
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7 3 1 0.16 -4.97 8.40 o
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5 4 1 36.72 36.18 16.60 o
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-7 5 1 113.21 140.53 28.06 o
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-5 5 1 822.44 835.80 57.09 o
-4 5 1 535.27 478.14 38.96 o
-3 5 1 10125.21 10000.12 211.47 o
-2 5 1 7059.96 7150.98 117.76 o
-1 5 1 299.58 296.09 21.29 o
0 5 1 5704.04 5724.50 74.59 o
1 5 1 10637.42 10452.99 144.94 o
2 5 1 583.07 585.66 37.25 o
3 5 1 7009.01 7082.32 144.30 o
4 5 1 729.11 715.39 41.32 o
5 5 1 3.48 10.06 10.30 o
6 5 1 2182.83 2319.19 153.81 o
7 5 1 4144.78 4216.53 223.07 o
8 5 1 1.94 20.16 18.58 o
-6 6 1 22.26 10.14 8.96 o
-5 6 1 5349.26 5360.06 150.48 o
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-1 6 1 500.43 508.52 27.45 o
0 6 1 1277.81 1257.40 41.90 o
1 6 1 11601.43 11392.73 160.02 o
2 6 1 5044.63 5095.21 109.30 o
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4 6 1 795.75 742.85 54.93 o
5 6 1 2204.23 2299.66 150.42 o
6 6 1 1860.23 1864.40 145.62 o
7 6 1 5516.97 5842.20 273.37 o
8 6 1 10.38 69.75 32.58 o
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