#------------------------------------------------------------------------------
#$Date: 2020-06-27 08:13:42 +0300 (Sat, 27 Jun 2020) $
#$Revision: 253512 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/34/2243452.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_2243452
_cell_angle_alpha                90.000
_cell_angle_beta                 107.320
_cell_angle_gamma                90.000
_cell_length_a                   7.8400
_cell_length_b                   6.3400
_cell_length_c                   9.7680
_exptl_crystal_F_000             456.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            tx2024Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' p2_48_49_a.res in Pn'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            234.33
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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
-1 0 -11 3253.65 2895.96 111.66 o
1 0 -11 21.94 21.30 7.23 o
3 0 -11 7608.96 7781.04 146.19 o
5 0 -11 185.53 284.71 32.59 o
0 1 -11 35.73 30.33 7.29 o
1 1 -11 323.68 321.81 16.07 o
2 1 -11 146.73 168.45 11.86 o
3 1 -11 810.06 774.03 25.16 o
4 1 -11 68.14 69.02 10.35 o
5 1 -11 879.99 852.53 38.16 o
0 2 -11 33.69 51.29 15.49 o
1 2 -11 3715.94 3407.75 58.68 o
2 2 -11 13.03 16.50 5.01 o
3 2 -11 30.31 25.49 5.07 o
4 2 -11 137.22 117.66 8.95 o
2 3 -11 349.18 324.38 19.74 o
3 3 -11 258.66 214.89 17.51 o
-2 0 -10 5644.00 5742.73 135.30 o
0 0 -10 377.48 355.52 23.30 o
2 0 -10 7682.51 7873.32 145.96 o
4 0 -10 58.18 35.78 10.50 o
6 0 -10 2596.77 2684.52 171.76 o
-2 1 -10 34.48 31.32 6.94 o
-1 1 -10 3.86 5.48 4.06 o
0 1 -10 327.26 275.23 14.67 o
1 1 -10 323.05 343.81 16.36 o
2 1 -10 638.82 611.23 24.63 o
3 1 -10 222.32 243.48 13.63 o
4 1 -10 756.81 725.76 27.49 o
5 1 -10 52.23 53.79 10.80 o
6 1 -10 445.50 474.50 20.72 o
-2 2 -10 12.58 17.10 11.75 o
-1 2 -10 121.21 115.35 9.70 o
0 2 -10 9212.01 9783.40 124.07 o
1 2 -10 199.08 167.44 13.04 o
2 2 -10 350.09 354.68 18.74 o
3 2 -10 15.91 17.72 4.40 o
4 2 -10 3465.99 3274.69 63.01 o
5 2 -10 51.80 54.44 7.32 o
6 2 -10 280.77 286.38 28.13 o
-1 3 -10 54.71 60.06 6.71 o
0 3 -10 65.36 49.17 6.14 o
1 3 -10 246.94 229.96 13.45 o
2 3 -10 834.57 844.64 23.58 o
3 3 -10 43.77 43.09 5.94 o
4 3 -10 792.22 738.97 25.40 o
5 3 -10 54.50 32.16 9.24 o
6 3 -10 263.18 186.45 25.99 o
1 4 -10 104.93 94.55 10.30 o
2 4 -10 4767.11 4753.94 73.45 o
3 4 -10 489.52 477.11 19.96 o
4 4 -10 109.65 115.64 10.16 o
-3 0 -9 6611.32 7541.81 168.83 o
-1 0 -9 130.53 142.15 18.13 o
1 0 -9 13502.10 14813.83 290.46 o
3 0 -9 500.54 556.82 33.24 o
5 0 -9 2253.83 2024.69 63.41 o
7 0 -9 225.70 232.74 22.33 o
-3 1 -9 13.41 10.39 5.62 o
-2 1 -9 263.03 268.73 14.45 o
-1 1 -9 76.29 78.32 7.90 o
0 1 -9 98.32 114.75 9.08 o
1 1 -9 470.47 444.65 21.27 o
2 1 -9 112.99 115.40 10.17 o
3 1 -9 519.12 537.79 27.71 o
4 1 -9 270.32 284.29 29.05 o
5 1 -9 601.31 682.10 26.55 o
6 1 -9 143.66 151.30 11.30 o
7 1 -9 511.08 545.26 25.73 o
8 1 -9 103.97 98.84 20.30 o
-3 2 -9 179.72 192.46 21.67 o
-2 2 -9 193.80 206.65 12.44 o
-1 2 -9 9006.27 9642.09 121.33 o
0 2 -9 100.85 93.42 8.58 o
1 2 -9 171.08 161.30 13.48 o
2 2 -9 61.71 59.69 8.27 o
3 2 -9 6284.32 6294.74 102.32 o
4 2 -9 52.19 53.74 6.98 o
5 2 -9 472.41 470.28 19.27 o
6 2 -9 28.87 33.15 6.09 o
7 2 -9 1515.61 1356.28 44.45 o
-2 3 -9 95.64 79.86 9.33 o
-1 3 -9 224.68 209.78 11.20 o
0 3 -9 77.71 84.13 7.43 o
1 3 -9 105.83 107.20 8.67 o
2 3 -9 68.90 81.71 8.27 o
3 3 -9 476.50 437.82 17.59 o
4 3 -9 27.58 21.78 5.62 o
5 3 -9 655.50 693.48 24.16 o
6 3 -9 23.40 26.64 10.25 o
7 3 -9 354.87 336.32 24.53 o
-1 4 -9 23.24 24.45 4.95 o
0 4 -9 421.98 433.74 16.51 o
1 4 -9 6382.60 6978.71 86.36 o
2 4 -9 283.46 281.03 14.97 o
3 4 -9 218.20 212.28 11.84 o
4 4 -9 43.98 40.41 6.19 o
5 4 -9 2017.24 1894.24 64.41 o
6 4 -9 52.21 35.86 9.53 o
1 5 -9 514.56 515.77 23.98 o
2 5 -9 12.02 6.99 3.79 o
3 5 -9 431.69 410.94 18.66 o
-4 0 -8 11378.54 13306.28 265.22 o
-2 0 -8 278.40 295.49 23.48 o
0 0 -8 7303.86 7884.67 142.35 o
2 0 -8 479.51 471.51 24.42 o
4 0 -8 8971.84 9543.92 201.10 o
6 0 -8 508.37 601.42 35.04 o
8 0 -8 3181.86 3160.63 71.92 o
-4 1 -8 52.08 49.80 7.02 o
-3 1 -8 37.38 28.87 6.44 o
-2 1 -8 10.11 14.73 5.36 o
-1 1 -8 171.74 181.70 12.93 o
0 1 -8 350.15 332.80 14.78 o
1 1 -8 367.04 363.36 15.63 o
2 1 -8 354.81 349.36 15.15 o
3 1 -8 804.49 815.18 27.23 o
4 1 -8 423.53 432.41 20.44 o
5 1 -8 152.33 122.35 21.90 o
6 1 -8 1331.45 1499.47 34.42 o
7 1 -8 12.31 13.34 4.79 o
8 1 -8 1493.02 1550.43 37.07 o
-4 2 -8 30.61 36.53 8.32 o
-3 2 -8 115.76 128.03 8.99 o
-2 2 -8 11713.20 12742.50 170.93 o
-1 2 -8 122.07 127.40 10.28 o
0 2 -8 3.07 2.67 3.49 o
1 2 -8 53.85 51.74 6.38 o
2 2 -8 5501.38 5700.99 79.55 o
3 2 -8 3.38 1.66 3.57 o
4 2 -8 933.45 949.91 37.32 o
5 2 -8 20.46 21.96 5.26 o
6 2 -8 6407.79 6898.11 98.19 o
7 2 -8 29.63 31.71 6.12 o
8 2 -8 161.65 151.70 30.72 o
-4 3 -8 73.99 62.64 10.64 o
-3 3 -8 18.05 13.40 6.34 o
-2 3 -8 39.34 38.16 4.93 o
-1 3 -8 5.36 6.08 4.13 o
0 3 -8 102.82 102.48 7.80 o
1 3 -8 108.25 98.69 10.63 o
2 3 -8 645.81 625.42 20.49 o
3 3 -8 225.74 219.38 11.59 o
4 3 -8 397.33 392.43 20.18 o
5 3 -8 410.58 415.90 19.36 o
6 3 -8 516.29 502.75 20.56 o
7 3 -8 424.71 396.41 18.89 o
-3 4 -8 357.74 315.93 29.30 o
-2 4 -8 96.85 95.71 10.23 o
-1 4 -8 146.78 137.73 10.23 o
0 4 -8 5295.81 5553.83 75.92 o
1 4 -8 98.92 93.26 7.71 o
2 4 -8 257.58 265.48 12.76 o
3 4 -8 278.78 272.34 14.45 o
4 4 -8 4762.57 4844.75 83.05 o
5 4 -8 21.54 36.40 6.49 o
6 4 -8 158.70 169.70 12.60 o
-1 5 -8 29.93 29.99 9.02 o
0 5 -8 451.09 423.89 19.33 o
1 5 -8 38.30 42.95 5.63 o
2 5 -8 11.53 12.95 4.19 o
3 5 -8 212.28 198.36 11.74 o
4 5 -8 178.90 184.31 13.21 o
5 5 -8 139.25 143.02 13.52 o
-5 0 -7 7439.08 8084.77 240.66 o
-3 0 -7 334.40 377.67 30.99 o
-1 0 -7 12240.77 12721.66 209.18 o
1 0 -7 249.41 281.61 18.40 o
3 0 -7 11049.30 10880.79 219.92 o
5 0 -7 189.05 181.65 18.73 o
7 0 -7 7279.28 7846.20 136.10 o
9 0 -7 449.17 480.27 29.82 o
-5 1 -7 94.56 104.89 12.79 o
-4 1 -7 57.01 75.87 7.89 o
-3 1 -7 6.65 8.58 5.08 o
-2 1 -7 487.80 485.94 20.14 o
-1 1 -7 26.76 24.79 5.67 o
0 1 -7 341.03 314.02 13.65 o
1 1 -7 360.29 337.28 15.29 o
2 1 -7 81.16 85.64 7.62 o
3 1 -7 1401.39 1479.04 35.89 o
4 1 -7 1069.47 1134.40 31.79 o
5 1 -7 1641.00 1708.74 36.53 o
6 1 -7 101.12 96.46 9.59 o
7 1 -7 1475.42 1637.55 36.92 o
8 1 -7 31.02 29.34 5.98 o
9 1 -7 967.65 1094.72 48.97 o
-5 2 -7 1.05 -2.52 7.06 o
-4 2 -7 31.61 32.40 7.81 o
-3 2 -7 8342.42 8913.32 112.53 o
-2 2 -7 127.26 125.79 10.25 o
-1 2 -7 657.66 693.43 20.38 o
0 2 -7 6.68 5.85 3.28 o
1 2 -7 9186.29 9076.28 111.04 o
2 2 -7 26.17 24.75 4.41 o
3 2 -7 196.29 180.62 11.14 o
4 2 -7 261.10 253.87 13.44 o
5 2 -7 10171.73 10527.03 154.45 o
6 2 -7 97.12 103.98 9.28 o
7 2 -7 230.44 253.40 14.49 o
8 2 -7 15.71 20.37 5.82 o
-4 3 -7 71.89 81.56 11.75 o
-3 3 -7 25.76 28.64 7.94 o
-2 3 -7 271.12 264.65 11.55 o
-1 3 -7 85.75 67.90 6.85 o
0 3 -7 196.65 182.50 9.53 o
1 3 -7 15.22 8.97 3.34 o
2 3 -7 262.50 250.41 11.52 o
3 3 -7 730.44 709.55 22.28 o
4 3 -7 149.37 146.66 11.01 o
5 3 -7 1567.24 1771.86 38.74 o
6 3 -7 167.00 164.94 11.74 o
7 3 -7 903.65 956.80 28.92 o
8 3 -7 136.42 143.67 15.89 o
-4 4 -7 135.92 133.99 22.51 o
-3 4 -7 66.11 63.67 9.02 o
-2 4 -7 68.87 66.33 6.07 o
-1 4 -7 5869.42 6455.95 86.98 o
0 4 -7 303.34 317.57 12.99 o
1 4 -7 11.82 7.90 3.21 o
2 4 -7 239.09 222.45 12.25 o
3 4 -7 6335.23 6471.24 80.26 o
4 4 -7 18.49 22.01 6.78 o
5 4 -7 185.91 190.24 13.05 o
6 4 -7 275.52 281.64 15.71 o
7 4 -7 3883.18 3967.76 92.76 o
-2 5 -7 0.84 -1.65 4.31 o
-1 5 -7 29.86 31.86 5.00 o
0 5 -7 27.96 19.77 4.32 o
1 5 -7 397.68 394.91 15.53 o
2 5 -7 95.96 103.38 8.82 o
3 5 -7 215.65 207.10 11.51 o
4 5 -7 653.47 650.41 34.59 o
5 5 -7 253.83 233.93 16.87 o
6 5 -7 177.19 180.94 18.49 o
0 6 -7 66.75 66.83 7.60 o
1 6 -7 3342.56 3123.04 61.07 o
2 6 -7 345.09 309.31 14.28 o
3 6 -7 17.39 14.31 4.39 o
4 6 -7 471.75 411.08 39.24 o
-6 0 -6 4990.31 4166.95 426.82 o
-4 0 -6 126.07 105.78 16.03 o
-2 0 -6 5333.69 5516.41 121.43 o
0 0 -6 26.66 28.70 14.69 o
2 0 -6 31591.88 32131.08 580.83 o
4 0 -6 1189.31 1238.74 44.79 o
6 0 -6 6934.11 7403.36 162.36 o
8 0 -6 299.01 348.64 21.29 o
-6 1 -6 163.02 143.40 14.52 o
-5 1 -6 84.35 91.94 9.56 o
-4 1 -6 49.35 53.50 6.99 o
-3 1 -6 238.39 232.86 12.79 o
-2 1 -6 29.26 29.67 6.09 o
-1 1 -6 180.52 174.81 11.14 o
0 1 -6 461.90 449.73 15.07 o
1 1 -6 3.71 2.40 4.03 o
2 1 -6 352.78 335.85 15.59 o
3 1 -6 546.35 558.88 20.38 o
4 1 -6 2227.33 2340.28 47.14 o
5 1 -6 239.56 220.98 12.35 o
6 1 -6 2047.30 2295.03 43.49 o
7 1 -6 3.08 3.80 4.43 o
8 1 -6 471.72 479.43 20.26 o
9 1 -6 216.98 247.38 15.10 o
-6 2 -6 41.59 46.45 9.67 o
-5 2 -6 6.44 1.84 5.44 o
-4 2 -6 4473.77 4638.78 96.08 o
-3 2 -6 43.00 44.66 4.43 o
-2 2 -6 169.17 174.12 11.25 o
-1 2 -6 166.27 167.39 10.18 o
0 2 -6 14965.26 15016.94 169.80 o
1 2 -6 286.96 301.31 14.57 o
2 2 -6 161.65 157.11 9.64 o
3 2 -6 41.95 35.66 5.50 o
4 2 -6 16445.32 16533.59 196.22 o
5 2 -6 456.37 443.85 20.95 o
6 2 -6 184.02 162.28 12.70 o
7 2 -6 123.79 153.42 11.31 o
8 2 -6 1754.65 1662.89 98.34 o
9 2 -6 8.39 9.97 6.00 o
-5 3 -6 115.92 128.48 14.38 o
-4 3 -6 48.65 51.70 12.62 o
-3 3 -6 72.98 72.46 9.93 o
-2 3 -6 14.10 9.85 3.63 o
-1 3 -6 173.06 169.23 8.62 o
0 3 -6 31.46 37.11 5.06 o
1 3 -6 248.66 220.23 10.86 o
2 3 -6 1311.40 1386.88 30.02 o
3 3 -6 344.81 359.40 16.69 o
4 3 -6 814.13 827.64 24.17 o
5 3 -6 508.65 478.56 22.01 o
6 3 -6 1085.36 1114.36 29.94 o
7 3 -6 30.71 31.23 6.18 o
8 3 -6 859.00 882.81 35.23 o
-5 4 -6 335.91 360.38 45.37 o
-4 4 -6 4.75 1.24 4.89 o
-3 4 -6 211.25 230.67 18.30 o
-2 4 -6 4961.39 5094.73 62.36 o
-1 4 -6 49.43 50.75 6.60 o
0 4 -6 103.10 112.20 7.58 o
1 4 -6 470.10 496.57 15.64 o
2 4 -6 13190.80 14063.92 148.06 o
3 4 -6 1281.61 1398.36 32.30 o
4 4 -6 299.16 289.66 18.26 o
5 4 -6 224.58 222.53 13.65 o
6 4 -6 3339.45 3462.96 86.12 o
7 4 -6 90.79 82.70 9.15 o
-3 5 -6 8.60 13.28 5.82 o
-2 5 -6 56.36 55.16 5.44 o
-1 5 -6 81.58 82.91 6.80 o
0 5 -6 35.38 36.75 4.95 o
1 5 -6 151.50 146.30 8.96 o
2 5 -6 2.13 1.88 2.91 o
3 5 -6 368.20 348.80 18.95 o
4 5 -6 948.42 922.67 28.14 o
5 5 -6 12.61 15.53 5.07 o
6 5 -6 1193.79 1118.34 44.00 o
-1 6 -6 776.92 776.50 40.48 o
0 6 -6 4807.11 4910.81 64.94 o
1 6 -6 238.06 224.13 13.94 o
2 6 -6 66.17 64.28 6.50 o
3 6 -6 186.14 180.40 10.66 o
4 6 -6 4195.29 3908.50 71.99 o
5 6 -6 856.92 673.46 189.93 o
-5 0 -5 183.03 164.37 15.60 o
-3 0 -5 15585.48 15924.83 297.48 o
-1 0 -5 931.82 952.89 33.22 o
1 0 -5 40424.19 39831.22 702.34 o
3 0 -5 291.26 279.86 20.41 o
5 0 -5 8799.96 8600.80 178.59 o
7 0 -5 364.72 352.92 36.86 o
9 0 -5 1442.69 1295.36 101.12 o
-6 1 -5 48.97 51.21 8.88 o
-5 1 -5 88.67 94.17 9.02 o
-4 1 -5 373.64 363.92 14.80 o
-3 1 -5 190.65 182.47 10.47 o
-2 1 -5 503.84 483.49 19.50 o
-1 1 -5 104.55 124.63 8.69 o
0 1 -5 465.80 479.88 16.93 o
1 1 -5 1835.45 1849.47 36.35 o
2 1 -5 760.25 769.60 32.22 o
3 1 -5 1263.18 1351.00 31.68 o
4 1 -5 332.81 320.94 13.91 o
5 1 -5 601.28 603.16 19.49 o
6 1 -5 82.28 80.72 7.92 o
7 1 -5 827.03 846.06 22.67 o
8 1 -5 11.84 12.58 4.27 o
9 1 -5 513.26 529.04 29.17 o
-6 2 -5 32.24 50.31 10.72 o
-5 2 -5 5246.69 5632.29 113.12 o
-4 2 -5 107.27 108.48 12.40 o
-3 2 -5 242.23 241.62 8.86 o
-2 2 -5 489.33 479.19 13.47 o
-1 2 -5 23332.98 22996.42 257.97 o
0 2 -5 202.99 198.33 9.38 o
1 2 -5 678.25 720.07 21.31 o
2 2 -5 934.89 934.35 28.01 o
3 2 -5 22814.82 23190.07 264.48 o
4 2 -5 248.55 243.07 12.14 o
5 2 -5 492.28 505.29 18.54 o
6 2 -5 11.05 8.16 4.28 o
7 2 -5 3358.13 3650.42 69.54 o
8 2 -5 53.37 55.80 6.74 o
9 2 -5 167.80 192.16 15.42 o
-6 3 -5 15.14 15.34 6.65 o
-5 3 -5 90.57 109.31 17.00 o
-4 3 -5 81.03 89.22 11.48 o
-3 3 -5 22.15 18.07 6.26 o
-2 3 -5 223.27 227.77 9.54 o
-1 3 -5 201.82 203.73 9.37 o
0 3 -5 621.71 627.46 18.90 o
1 3 -5 166.68 157.10 10.06 o
2 3 -5 139.93 123.97 8.79 o
3 3 -5 2409.61 2587.05 44.54 o
4 3 -5 282.49 245.06 13.89 o
5 3 -5 783.36 831.32 27.65 o
6 3 -5 198.21 189.23 13.49 o
7 3 -5 191.44 199.62 13.67 o
8 3 -5 108.91 102.45 9.72 o
-5 4 -5 97.59 108.57 13.32 o
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0 4 -5 1992.44 2270.65 58.44 o
1 4 -5 17022.66 17574.60 190.00 o
2 4 -5 290.10 287.52 15.95 o
3 4 -5 592.58 602.24 19.72 o
4 4 -5 224.99 228.08 13.02 o
5 4 -5 6111.97 6437.57 91.19 o
6 4 -5 347.72 365.79 17.15 o
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2 5 -5 110.75 115.85 9.04 o
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5 5 -5 398.21 370.97 19.10 o
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1 6 -5 39.96 45.43 5.05 o
2 6 -5 985.45 984.26 25.96 o
3 6 -5 5562.54 5822.03 84.41 o
4 6 -5 442.61 420.17 17.43 o
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0 7 -5 40.54 33.93 9.44 o
1 7 -5 45.59 39.47 9.80 o
2 7 -5 68.77 70.57 9.44 o
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-4 0 -4 21267.34 22766.28 415.56 o
-2 0 -4 258.51 262.86 28.32 o
0 0 -4 54634.09 53019.72 774.41 o
2 0 -4 112.01 102.89 11.55 o
4 0 -4 14784.09 15213.71 451.40 o
6 0 -4 1416.38 1439.00 38.69 o
8 0 -4 6222.60 6477.11 116.63 o
-7 1 -4 62.79 59.83 10.58 o
-6 1 -4 440.14 441.37 24.08 o
-5 1 -4 0.60 2.79 2.60 o
-4 1 -4 288.71 281.95 28.16 o
-3 1 -4 232.39 222.28 9.99 o
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-1 1 -4 11.86 -3.68 3.68 o
0 1 -4 44.74 40.20 4.29 o
1 1 -4 282.39 311.45 12.34 o
2 1 -4 480.64 489.98 15.69 o
3 1 -4 1152.70 1250.48 37.59 o
4 1 -4 1456.44 1550.47 34.71 o
5 1 -4 692.67 686.46 19.71 o
6 1 -4 702.05 742.38 25.68 o
7 1 -4 306.62 296.76 15.15 o
8 1 -4 884.96 917.97 26.26 o
9 1 -4 183.40 187.70 11.91 o
-7 2 -4 64.85 63.89 10.72 o
-6 2 -4 5437.92 5513.88 108.71 o
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0 2 -4 315.78 330.44 11.17 o
1 2 -4 50.41 52.05 4.32 o
2 2 -4 18034.95 17084.39 222.75 o
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