#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:38:30 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181911 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/10/2241027.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241027
_cell_angle_alpha                90.000
_cell_angle_beta                 91.077
_cell_angle_gamma                90.000
_cell_length_a                   7.8177
_cell_length_b                   21.1952
_cell_length_c                   12.4954
_exptl_crystal_F_000             1052.00
_reflns_d_resolution_high        0.8255
_cod_data_source_file            bq2400Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' [C26 H16 Cu N2 O2 S2] in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            392.53
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
2 0 0 9021.71 8292.31 144.30 o
4 0 0 561.81 348.46 57.20 o
6 0 0 94.87 130.94 114.41 o
8 0 0 43.11 -129.88 129.88 o
1 1 0 2.76 -3.51 7.91 o
2 1 0 23395.57 26215.91 290.00 o
3 1 0 34.75 7.30 30.38 o
4 1 0 388.15 286.00 39.04 o
5 1 0 0.06 31.65 49.41 o
6 1 0 6.76 -56.46 68.74 o
7 1 0 1.83 -84.59 84.59 o
8 1 0 16.78 -46.03 92.52 o
9 1 0 0.32 -120.76 120.76 o
0 2 0 75434.16 83934.20 1469.68 o
1 2 0 2.79 5.88 10.52 o
2 2 0 9272.00 8469.17 105.18 o
3 2 0 28.86 62.93 30.41 o
4 2 0 206.83 220.95 39.04 o
5 2 0 0.38 -48.54 49.77 o
6 2 0 17.93 -41.21 68.56 o
7 2 0 0.32 -77.27 83.27 o
8 2 0 4.88 -61.24 91.49 o
9 2 0 5.38 -114.07 114.07 o
1 3 0 4.91 20.15 14.29 o
2 3 0 154078.94 158814.33 1825.06 o
3 3 0 24.17 61.81 29.98 o
4 3 0 2059.81 2037.77 60.04 o
5 3 0 6.86 31.79 50.48 o
6 3 0 14.52 -66.71 66.71 o
7 3 0 7.12 -82.45 82.45 o
8 3 0 96.04 -4.15 104.42 o
9 3 0 2.42 -43.63 115.08 o
0 4 0 223.67 215.09 20.56 o
1 4 0 0.57 -0.10 19.18 o
2 4 0 2945.30 2417.46 56.44 o
3 4 0 2.53 -0.64 31.77 o
4 4 0 15500.72 17272.70 226.40 o
5 4 0 55.98 69.19 52.06 o
6 4 0 77.79 136.70 70.04 o
7 4 0 0.04 -80.96 80.96 o
8 4 0 86.47 29.08 109.91 o
9 4 0 1.84 -150.60 150.60 o
1 5 0 0.88 -24.26 24.26 o
2 5 0 3097.19 2991.51 62.60 o
3 5 0 2.12 5.64 33.72 o
4 5 0 5553.45 5760.12 104.39 o
5 5 0 1.12 -39.62 51.53 o
6 5 0 191.08 234.16 71.06 o
7 5 0 0.86 -90.38 90.38 o
8 5 0 203.63 191.92 107.77 o
9 5 0 8.30 111.84 137.10 o
0 6 0 31877.61 31709.61 491.69 o
1 6 0 20.68 3.95 28.28 o
2 6 0 48.05 -0.73 32.89 o
3 6 0 1.91 -7.27 36.09 o
4 6 0 20547.93 20779.63 266.77 o
5 6 0 1.35 -58.63 58.63 o
6 6 0 1056.98 1112.60 81.67 o
7 6 0 19.74 -34.50 96.55 o
8 6 0 206.95 306.15 128.41 o
9 6 0 2.36 -130.62 130.62 o
1 7 0 8.41 -34.26 34.26 o
2 7 0 10082.17 10997.11 146.80 o
3 7 0 6.96 11.34 37.66 o
4 7 0 4983.20 4844.07 99.91 o
5 7 0 1.04 -59.01 61.11 o
6 7 0 508.79 441.23 82.30 o
7 7 0 22.18 95.90 89.04 o
8 7 0 205.80 154.80 132.89 o
9 7 0 0.87 155.23 147.97 o
0 8 0 2822.43 2590.20 71.70 o
1 8 0 21.77 -11.85 29.27 o
2 8 0 539.27 424.80 36.84 o
3 8 0 10.06 -20.04 38.63 o
4 8 0 133.62 406.93 75.81 o
5 8 0 28.20 89.34 63.39 o
6 8 0 913.32 967.06 89.76 o
7 8 0 21.26 38.52 93.89 o
8 8 0 46.91 -3.71 115.50 o
1 9 0 15.87 6.02 31.03 o
2 9 0 14038.60 15530.05 201.52 o
3 9 0 0.02 1.98 41.02 o
4 9 0 2714.77 2562.95 82.78 o
5 9 0 65.61 -30.26 63.28 o
6 9 0 8.57 -59.02 83.86 o
7 9 0 11.15 -45.03 91.09 o
8 9 0 22.86 68.54 116.37 o
0 10 0 29890.90 33250.77 524.38 o
1 10 0 26.82 64.49 38.52 o
2 10 0 6486.57 6087.65 101.59 o
3 10 0 7.76 6.85 48.56 o
4 10 0 63.23 170.16 56.39 o
5 10 0 0.02 -42.11 65.40 o
6 10 0 35.41 -39.82 85.54 o
7 10 0 11.25 -9.28 92.41 o
8 10 0 2.40 -128.44 128.44 o
1 11 0 54.77 74.02 43.75 o
2 11 0 442.41 874.90 50.85 o
3 11 0 6.57 -30.42 51.41 o
4 11 0 759.42 750.50 67.35 o
5 11 0 13.84 -27.27 72.53 o
6 11 0 1285.39 1236.18 103.03 o
7 11 0 15.64 109.69 95.27 o
8 11 0 206.50 -45.47 110.95 o
0 12 0 18337.19 21594.94 356.37 o
1 12 0 0.16 -38.71 38.71 o
2 12 0 7533.13 7072.94 120.07 o
3 12 0 14.43 -56.54 56.54 o
4 12 0 370.41 433.62 64.61 o
5 12 0 17.00 -39.21 81.93 o
6 12 0 182.76 198.89 88.14 o
7 12 0 15.79 31.97 94.45 o
8 12 0 152.19 26.79 125.40 o
1 13 0 16.46 8.67 43.50 o
2 13 0 2600.77 3256.19 90.65 o
3 13 0 1.41 30.20 57.36 o
4 13 0 1227.07 1210.08 76.23 o
5 13 0 1.42 -68.35 80.89 o
6 13 0 806.71 721.42 97.83 o
7 13 0 0.00 -94.58 94.58 o
8 13 0 1.20 -39.55 116.14 o
0 14 0 921.90 913.60 71.96 o
1 14 0 1.15 -46.84 46.84 o
2 14 0 1168.13 1257.38 74.59 o
3 14 0 0.74 -58.43 58.43 o
4 14 0 1265.13 1409.50 87.78 o
5 14 0 23.11 -46.41 81.89 o
6 14 0 447.20 468.74 99.14 o
7 14 0 1.33 125.58 95.83 o
1 15 0 8.98 37.34 72.69 o
2 15 0 142.30 314.12 67.43 o
3 15 0 37.40 152.57 64.00 o
4 15 0 4334.30 4146.92 141.95 o
5 15 0 5.27 105.35 85.91 o
6 15 0 718.24 771.52 102.91 o
7 15 0 2.74 -34.85 96.05 o
0 16 0 376.77 464.11 81.95 o
1 16 0 1.06 29.46 54.76 o
2 16 0 761.74 630.22 65.40 o
3 16 0 1.68 65.13 71.27 o
4 16 0 93.93 302.68 76.58 o
5 16 0 8.31 64.44 86.34 o
6 16 0 302.34 362.07 99.65 o
7 16 0 0.11 114.43 103.41 o
1 17 0 0.04 6.91 57.76 o
2 17 0 373.90 355.66 64.53 o
3 17 0 41.02 122.31 72.16 o
4 17 0 1916.11 2093.99 108.09 o
5 17 0 0.04 -32.53 85.83 o
6 17 0 171.78 269.51 96.93 o
7 17 0 1.34 -25.28 104.20 o
0 18 0 535.11 545.49 130.63 o
1 18 0 107.28 51.41 60.35 o
2 18 0 3398.66 3000.52 186.83 o
3 18 0 1.08 41.26 70.96 o
4 18 0 185.26 281.76 78.94 o
5 18 0 11.09 100.96 90.13 o
6 18 0 601.83 618.30 103.99 o
1 19 0 3.03 45.79 59.86 o
2 19 0 98.85 222.59 71.69 o
3 19 0 38.09 76.79 74.73 o
4 19 0 590.27 765.52 94.80 o
5 19 0 2.55 49.78 93.76 o
6 19 0 110.07 133.61 102.60 o
0 20 0 285.79 167.50 97.51 o
1 20 0 47.34 167.88 112.89 o
2 20 0 944.12 1067.12 86.10 o
3 20 0 4.11 -46.80 74.94 o
4 20 0 165.61 327.18 104.15 o
5 20 0 9.94 206.75 148.66 o
1 21 0 12.71 -28.67 125.78 o
2 21 0 197.47 188.33 77.13 o
3 21 0 63.82 182.23 87.14 o
4 21 0 1292.83 1413.04 170.41 o
5 21 0 4.06 107.87 96.89 o
0 22 0 11.05 169.11 129.07 o
1 22 0 0.00 3.66 97.36 o
2 22 0 3.52 45.37 85.15 o
3 22 0 0.99 6.48 80.61 o
4 22 0 415.73 454.18 112.40 o
1 23 0 2.67 -49.02 83.87 o
2 23 0 2.03 -5.39 138.79 o
3 23 0 16.82 71.21 85.90 o
4 23 0 266.23 330.07 113.48 o
0 24 0 44.32 84.69 139.82 o
1 24 0 5.26 173.13 98.39 o
2 24 0 123.20 229.55 107.86 o
3 24 0 0.86 -65.47 106.75 o
1 25 0 4.00 145.31 100.75 o
2 25 0 10.38 47.33 102.05 o
-9 0 1 0.39 -187.39 187.39 o
-7 0 1 271.49 529.87 130.46 o
-5 0 1 1718.27 1714.84 107.38 o
-3 0 1 2133.56 2617.72 96.15 o
-1 0 1 7101.60 7043.00 228.50 o
1 0 1 17287.90 15592.13 243.09 o
3 0 1 10519.84 9367.98 171.68 o
5 0 1 1727.63 1992.05 168.26 o
7 0 1 432.81 255.84 121.65 o
9 0 1 21.73 -20.01 146.24 o
-9 1 1 41.55 -114.95 114.95 o
-8 1 1 60.88 105.06 95.04 o
-7 1 1 163.58 121.77 86.33 o
-6 1 1 83.77 94.53 78.70 o
-5 1 1 1599.32 1629.93 103.16 o
-4 1 1 618.54 757.08 48.40 o
-3 1 1 8633.12 7038.22 105.56 o
-2 1 1 8431.95 9773.37 127.15 o
-1 1 1 14103.43 12299.26 146.07 o
0 1 1 5.32 16.84 5.35 o
1 1 1 5656.35 5602.82 136.64 o
2 1 1 20730.17 20891.60 234.95 o
3 1 1 1049.32 1760.42 55.80 o
4 1 1 1098.67 1266.30 50.52 o
5 1 1 2115.52 2167.28 80.08 o
6 1 1 63.07 53.09 62.66 o
7 1 1 295.37 361.24 87.98 o
8 1 1 17.85 -52.52 93.36 o
9 1 1 2.28 9.70 116.03 o
-9 2 1 0.90 -108.37 116.12 o
-8 2 1 20.01 -50.89 92.57 o
-7 2 1 304.08 418.20 101.17 o
-6 2 1 11.11 -76.94 76.94 o
-5 2 1 1506.19 1536.23 72.42 o
-4 2 1 816.98 776.92 48.09 o
-3 2 1 71.57 819.02 48.62 o
-2 2 1 40692.24 39049.54 455.68 o
-1 2 1 6425.13 5397.92 76.10 o
0 2 1 211.93 248.36 10.17 o
1 2 1 8762.51 8018.94 99.71 o
2 2 1 17119.15 19942.44 224.86 o
3 2 1 8618.79 7069.54 98.21 o
4 2 1 42.32 95.11 38.98 o
5 2 1 1501.93 1524.52 65.09 o
6 2 1 35.45 19.27 62.34 o
7 2 1 205.95 114.71 84.67 o
8 2 1 88.52 -55.08 93.59 o
9 2 1 60.93 176.35 149.49 o
-9 3 1 82.09 64.56 118.05 o
-8 3 1 2.03 -67.46 102.41 o
-7 3 1 100.99 95.53 86.09 o
-6 3 1 72.45 38.12 69.06 o
-5 3 1 994.48 1110.11 66.16 o
-4 3 1 1885.30 2069.62 64.46 o
-3 3 1 9976.99 8242.75 117.96 o
-2 3 1 5249.25 7072.04 109.81 o
-1 3 1 2800.84 2781.14 44.57 o
0 3 1 605.65 596.51 29.29 o
1 3 1 5053.42 4038.04 63.74 o
2 3 1 26394.81 25051.18 279.48 o
3 3 1 319.03 1305.63 98.37 o
4 3 1 27.57 206.36 40.46 o
5 3 1 2726.62 2933.76 83.23 o
6 3 1 365.39 384.76 78.36 o
7 3 1 561.06 614.78 112.60 o
8 3 1 31.42 -27.27 177.18 o
9 3 1 6.73 78.49 153.48 o
-9 4 1 3.77 -15.08 143.22 o
-8 4 1 47.17 -52.78 103.49 o
-7 4 1 884.42 737.64 91.31 o
-6 4 1 288.91 344.60 71.74 o
-5 4 1 2718.10 2870.13 92.13 o
-4 4 1 756.97 1422.05 56.34 o
-3 4 1 648.67 1498.42 60.89 o
-2 4 1 8336.35 7397.42 104.88 o
-1 4 1 1404.78 1230.83 50.41 o
0 4 1 940.24 879.54 29.20 o
1 4 1 1039.79 1021.76 35.37 o
2 4 1 461.00 1101.31 46.40 o
3 4 1 9652.82 7967.73 107.24 o
4 4 1 8551.62 8229.27 119.07 o
5 4 1 404.10 692.55 59.31 o
6 4 1 366.27 233.03 66.09 o
7 4 1 101.44 8.52 81.28 o
8 4 1 31.75 -65.97 114.44 o
9 4 1 43.36 -144.75 144.75 o
-9 5 1 12.47 81.34 179.57 o
-8 5 1 28.13 -116.18 116.18 o
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-5 5 1 275.28 488.69 60.80 o
-4 5 1 8613.27 7844.68 139.20 o
-3 5 1 5716.91 4561.32 81.57 o
-2 5 1 2433.96 2237.13 55.53 o
-1 5 1 1077.04 962.98 43.82 o
0 5 1 1175.87 1171.41 31.40 o
1 5 1 253.97 240.08 31.82 o
2 5 1 1168.69 1279.15 53.89 o
3 5 1 1287.21 1823.05 55.30 o
4 5 1 896.50 1468.97 59.22 o
5 5 1 2955.65 2865.55 84.16 o
6 5 1 5.07 -67.22 67.22 o
7 5 1 1015.40 860.27 91.09 o
8 5 1 21.11 124.46 139.38 o
9 5 1 0.55 -119.49 145.27 o
-9 6 1 35.96 -77.98 133.65 o
-8 6 1 4.87 -98.85 98.85 o
-7 6 1 974.36 1074.61 114.24 o
-6 6 1 1344.66 1291.37 90.58 o
-5 6 1 3639.64 3187.28 107.69 o
-4 6 1 107.01 349.26 56.58 o
-3 6 1 1369.79 1846.97 67.02 o
-2 6 1 674.62 767.65 37.68 o
-1 6 1 53.77 93.45 30.28 o
0 6 1 1661.88 1654.82 41.40 o
1 6 1 1182.56 914.95 42.52 o
2 6 1 2532.99 2318.52 64.09 o
3 6 1 4965.89 4361.97 92.00 o
4 6 1 2177.20 1950.71 68.62 o
5 6 1 288.24 598.15 58.85 o
6 6 1 108.05 231.04 72.18 o
7 6 1 161.15 129.97 82.75 o
8 6 1 0.07 73.04 118.78 o
9 6 1 6.25 -101.17 176.62 o
-9 7 1 37.24 -133.97 133.97 o
-8 7 1 30.98 -101.15 101.15 o
-7 7 1 115.53 79.73 91.72 o
-6 7 1 297.13 447.42 81.79 o
-5 7 1 799.66 1055.04 78.76 o
-4 7 1 345.53 283.00 50.01 o
-3 7 1 2736.99 2316.39 63.99 o
-2 7 1 2359.49 2127.42 58.99 o
-1 7 1 1607.04 1455.86 63.59 o
0 7 1 2219.93 2174.81 48.25 o
1 7 1 443.90 475.59 38.42 o
2 7 1 380.05 492.65 40.49 o
3 7 1 800.85 982.48 54.65 o
4 7 1 245.72 320.99 52.55 o
5 7 1 3697.20 3388.47 101.05 o
6 7 1 3412.56 3222.94 146.91 o
7 7 1 313.31 340.26 96.07 o
8 7 1 103.97 29.34 117.02 o
9 7 1 55.99 92.79 137.62 o
-8 8 1 0.12 -113.77 113.77 o
-7 8 1 236.93 335.85 96.63 o
-6 8 1 2895.93 2621.23 109.34 o
-5 8 1 1896.05 1933.93 126.10 o
-4 8 1 711.58 575.48 56.43 o
-3 8 1 525.89 833.43 48.05 o
-2 8 1 300.58 374.74 38.82 o
-1 8 1 312.83 516.33 52.15 o
0 8 1 3258.23 3153.59 64.50 o
1 8 1 3546.61 2838.14 66.18 o
2 8 1 2593.94 2348.87 68.51 o
3 8 1 2172.84 1860.88 68.72 o
4 8 1 1.32 -13.37 51.13 o
5 8 1 722.91 1066.19 73.75 o
6 8 1 205.08 411.00 81.54 o
7 8 1 137.79 236.97 95.90 o
8 8 1 254.99 247.29 132.70 o
-8 9 1 850.51 580.59 130.12 o
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-6 9 1 157.62 215.86 123.99 o
-5 9 1 610.91 665.49 78.79 o
-4 9 1 453.29 383.58 57.49 o
-3 9 1 2989.69 2392.18 77.76 o
-2 9 1 2827.79 2618.58 66.37 o
-1 9 1 5692.02 5159.55 85.29 o
0 9 1 3864.89 3875.53 73.15 o
1 9 1 1002.44 1323.96 50.67 o
2 9 1 5.29 312.15 43.44 o
3 9 1 128.33 300.59 55.21 o
4 9 1 5.07 22.99 59.77 o
5 9 1 1599.21 1575.69 79.26 o
6 9 1 1359.42 1337.91 103.56 o
7 9 1 94.91 148.93 96.25 o
8 9 1 62.25 177.56 117.25 o
-8 10 1 132.50 -95.33 117.80 o
-7 10 1 322.94 377.57 111.62 o
-6 10 1 506.86 366.66 93.49 o
-5 10 1 508.34 545.33 80.29 o
-4 10 1 20.92 103.10 57.20 o
-3 10 1 41.65 340.49 48.81 o
-2 10 1 90.33 174.98 39.57 o
-1 10 1 899.85 1157.95 47.72 o
0 10 1 3031.29 2975.20 63.05 o
1 10 1 5621.05 4983.70 85.35 o
2 10 1 1791.44 1862.98 66.53 o
3 10 1 4502.07 3679.42 105.41 o
4 10 1 794.98 745.04 72.51 o
5 10 1 135.70 313.30 75.30 o
6 10 1 122.90 125.60 86.99 o
7 10 1 6.18 -28.87 91.90 o
8 10 1 923.53 754.72 141.21 o
-8 11 1 431.89 143.14 125.78 o
-7 11 1 2.92 123.85 94.84 o
-6 11 1 23.79 130.24 79.92 o
-5 11 1 239.32 326.19 83.81 o
-4 11 1 1168.13 1203.30 71.08 o
-3 11 1 3409.71 2909.42 85.35 o
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-1 11 1 6072.28 5531.16 96.64 o
0 11 1 1805.26 1937.10 56.50 o
1 11 1 1739.58 1955.51 58.86 o
2 11 1 667.48 717.98 55.35 o
3 11 1 20.65 291.56 59.87 o
4 11 1 105.36 136.32 72.98 o
5 11 1 237.77 311.74 78.97 o
6 11 1 290.56 240.56 87.44 o
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8 11 1 109.09 -37.65 125.13 o
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-6 12 1 279.70 210.56 89.57 o
-5 12 1 80.09 116.61 78.28 o
-4 12 1 604.61 557.24 65.89 o
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-2 12 1 2930.19 2743.96 80.19 o
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5 12 1 106.48 38.64 77.05 o
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3 13 1 570.71 705.53 71.18 o
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5 13 1 129.78 205.84 77.95 o
6 13 1 149.32 81.38 87.09 o
7 13 1 163.88 277.32 99.81 o
8 13 1 15.46 -47.68 120.53 o
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-6 14 1 68.06 113.35 91.22 o
-5 14 1 187.81 256.92 87.17 o
-4 14 1 2.48 56.55 65.24 o
-3 14 1 173.43 282.01 65.79 o
-2 14 1 3465.41 3210.84 94.35 o
-1 14 1 862.94 1070.99 68.00 o
0 14 1 141.26 103.95 43.26 o
1 14 1 4626.01 4184.03 95.45 o
2 14 1 76.10 298.47 63.14 o
3 14 1 1342.47 1245.04 81.14 o
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-2 15 1 118.03 199.01 72.46 o
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0 15 1 810.42 872.64 53.90 o
1 15 1 393.69 621.08 58.78 o
2 15 1 1407.69 1412.60 79.77 o
3 15 1 548.82 673.79 77.16 o
4 15 1 382.33 571.75 91.16 o
5 15 1 267.63 248.86 122.45 o
6 15 1 65.39 9.72 88.25 o
7 15 1 61.82 26.29 99.69 o
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-3 16 1 10.67 217.31 70.29 o
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