#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108876.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_2108876
_cell_angle_alpha                90.000
_cell_angle_beta                 97.065
_cell_angle_gamma                90.000
_cell_length_a                   5.1651
_cell_length_b                   7.2324
_cell_length_c                   9.4957
_exptl_crystal_F_000             91.82
_reflns_d_resolution_high        0.5460
_cod_data_source_file            um5050HMTN00sup2.hkl
_cod_data_source_block           HMTN00
_shelx_title                     ' hmtx19_a.res in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            100.87
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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 1 0 1615.73 1691.18 28.32 o
3 1 0 3351.30 3556.38 41.92 o
4 1 0 338.54 348.09 13.12 o
5 1 0 2234.24 2316.06 24.63 o
6 1 0 300.58 318.72 20.46 o
7 1 0 1095.04 1152.26 41.92 o
8 1 0 493.13 526.85 74.45 o
9 1 0 48.63 31.45 161.99 o
1 2 0 1136.64 1201.52 34.58 o
3 2 0 1387.27 1398.13 22.54 o
5 2 0 685.94 716.63 20.46 o
7 2 0 250.08 249.00 36.70 o
9 2 0 505.67 735.49 184.53 o
1 3 0 90.42 108.51 7.34 o
2 3 0 1606.42 1639.27 24.11 o
4 3 0 941.07 957.25 20.98 o
5 3 0 2927.46 2995.44 30.41 o
7 3 0 26.53 76.02 43.52 o
8 3 0 544.04 652.65 90.18 o
1 4 0 563.14 589.23 12.07 o
3 4 0 313.54 295.66 14.68 o
5 4 0 784.42 756.47 22.02 o
7 4 0 4233.04 4369.45 82.32 o
1 5 0 44.08 41.92 11.52 o
2 5 0 606.84 586.10 16.77 o
3 5 0 2621.78 2515.77 26.20 o
4 5 0 491.43 482.28 19.93 o
6 5 0 4113.53 4158.20 56.08 o
7 5 0 28.50 34.06 62.38 o
8 5 0 472.45 480.19 130.54 o
1 6 0 722.78 779.01 22.02 o
5 6 0 1352.89 1250.30 38.79 o
7 6 0 2742.72 2909.47 110.08 o
1 7 0 158.82 140.49 16.25 o
2 7 0 91.49 128.97 18.86 o
3 7 0 3324.14 3177.36 37.23 o
4 7 0 938.13 952.00 38.79 o
5 7 0 625.47 566.68 48.74 o
6 7 0 593.47 545.22 69.20 o
1 8 0 1479.83 1477.28 33.02 o
3 8 0 321.65 240.10 35.66 o
5 8 0 723.10 644.27 74.45 o
7 8 0 588.54 444.01 230.14 o
1 9 0 637.52 523.71 45.09 o
2 9 0 751.96 682.54 51.91 o
4 9 0 1423.75 1415.42 90.18 o
1 10 0 2654.26 2488.00 99.09 o
3 10 0 121.77 157.78 118.47 o
1 11 0 909.63 488.05 150.99 o
2 11 0 480.72 506.94 164.60 o
3 11 0 626.58 801.04 215.46 o
4 11 0 2059.22 1939.66 236.96 o
5 11 0 20.32 -320.85 320.85 o
1 12 0 113.17 -12.59 330.27 o
-9 0 1 553.09 1169.03 207.08 o
-8 0 1 216.23 249.00 94.88 o
-7 0 1 6.51 -4.73 48.22 o
-6 0 1 166.23 192.92 26.20 o
-5 0 1 317.87 304.56 22.02 o
-4 0 1 390.63 415.20 16.25 o
-3 0 1 1256.11 1232.97 22.54 o
-2 0 1 1253.52 1281.75 51.39 o
-1 0 1 252.93 231.71 15.73 o
0 0 1 199.11 277.32 76.54 o
2 0 1 225.46 261.60 36.18 o
3 0 1 2509.76 2572.41 30.93 o
4 0 1 608.88 612.29 28.32 o
5 0 1 2160.02 2208.59 35.14 o
6 0 1 419.64 404.69 31.45 o
7 0 1 28.98 5.25 48.74 o
8 0 1 2326.83 2571.88 142.05 o
9 0 1 375.22 203.91 253.21 o
-9 1 1 2878.02 3500.29 191.35 o
-8 1 1 79.04 111.65 71.81 o
-7 1 1 310.43 359.08 39.31 o
-6 1 1 3.70 32.50 18.34 o
-5 1 1 176.77 165.64 13.12 o
-4 1 1 142.62 132.10 10.47 o
-3 1 1 807.30 833.53 15.20 o
-2 1 1 302.30 309.30 6.82 o
1 1 1 1220.72 1371.37 43.52 o
2 1 1 909.73 963.03 49.79 o
3 1 1 158.91 189.23 12.59 o
4 1 1 10174.23 10133.38 48.22 o
5 1 1 331.07 347.04 15.73 o
6 1 1 983.74 1032.23 25.15 o
7 1 1 882.68 941.52 40.36 o
8 1 1 290.15 411.51 81.27 o
9 1 1 2874.01 3104.51 223.85 o
-9 2 1 280.02 408.90 190.83 o
-8 2 1 16.48 7.86 76.02 o
-7 2 1 358.54 441.40 37.75 o
-6 2 1 2365.65 2506.34 31.45 o
-5 2 1 67.08 64.47 13.64 o
-4 2 1 1264.12 1337.83 17.81 o
-3 2 1 195.09 173.51 9.43 o
-2 2 1 261.64 265.77 8.38 o
-1 2 1 740.30 794.74 13.12 o
0 2 1 337.40 377.97 7.34 o
1 2 1 2457.09 2499.52 46.66 o
2 2 1 1159.30 1182.14 13.64 o
3 2 1 837.10 831.97 14.68 o
4 2 1 54.01 27.28 11.00 o
5 2 1 1146.56 1169.55 25.68 o
6 2 1 181.67 201.83 20.98 o
7 2 1 1885.80 1924.45 50.86 o
8 2 1 229.04 265.25 79.67 o
9 2 1 1065.08 1524.46 183.49 o
-9 3 1 327.51 375.89 189.79 o
-8 3 1 1159.36 1207.30 92.27 o
-7 3 1 307.46 295.14 38.79 o
-6 3 1 400.13 404.69 23.59 o
-5 3 1 279.29 257.39 15.73 o
-4 3 1 3409.37 3278.53 30.93 o
-3 3 1 5.62 2.61 7.86 o
-2 3 1 4983.63 4936.69 48.74 o
-1 3 1 112.59 128.97 13.12 o
0 3 1 2.24 5.77 7.34 o
1 3 1 1595.95 1624.06 31.45 o
2 3 1 1207.76 1241.91 19.41 o
3 3 1 501.96 490.14 20.98 o
4 3 1 1681.25 1703.74 26.20 o
5 3 1 966.40 1017.54 23.59 o
6 3 1 1709.87 1829.58 36.70 o
7 3 1 624.89 650.04 47.18 o
8 3 1 1487.95 1703.21 109.56 o
9 3 1 270.68 461.86 198.17 o
-8 4 1 630.98 591.32 95.40 o
-7 4 1 1527.17 1580.02 62.38 o
-6 4 1 801.26 842.96 34.06 o
-5 4 1 2657.54 2618.54 27.80 o
-4 4 1 831.39 810.47 23.07 o
-3 4 1 584.82 574.02 17.29 o
-2 4 1 937.97 944.66 15.20 o
-1 4 1 8133.42 7369.62 73.38 o
0 4 1 393.99 426.72 12.07 o
1 4 1 2610.62 2763.20 39.31 o
2 4 1 43.65 55.56 11.52 o
3 4 1 30.10 37.75 13.12 o
4 4 1 53.99 48.74 15.20 o
5 4 1 227.76 213.90 19.93 o
6 4 1 139.75 175.63 28.84 o
7 4 1 932.37 914.25 64.47 o
8 4 1 147.77 246.39 109.04 o
-7 5 1 1712.49 1674.93 77.06 o
-6 5 1 925.15 896.44 39.31 o
-5 5 1 811.84 785.83 26.72 o
-4 5 1 709.87 747.04 20.98 o
-3 5 1 3548.15 3484.57 29.36 o
-2 5 1 2295.83 2300.34 24.11 o
-1 5 1 472.79 478.63 14.68 o
0 5 1 975.83 980.32 17.81 o
1 5 1 651.56 661.59 16.25 o
2 5 1 1984.96 1934.40 25.15 o
3 5 1 736.68 685.18 23.07 o
4 5 1 1676.29 1641.36 28.84 o
5 5 1 196.56 172.46 25.15 o
6 5 1 568.12 487.01 39.84 o
7 5 1 43.15 23.59 63.95 o
8 5 1 1012.35 1465.76 135.79 o
-8 6 1 1408.01 1527.62 181.92 o
-7 6 1 660.67 538.92 85.97 o
-6 6 1 3705.64 3576.31 65.51 o
-5 6 1 418.74 370.11 30.41 o
-4 6 1 692.93 660.52 24.11 o
-3 6 1 146.39 125.81 18.86 o
-2 6 1 1917.57 1907.16 27.28 o
-1 6 1 245.00 267.89 14.68 o
0 6 1 2938.44 3034.23 36.18 o
1 6 1 1945.56 1918.16 28.32 o
2 6 1 671.56 644.27 21.50 o
3 6 1 170.93 137.36 17.81 o
4 6 1 164.86 119.51 24.11 o
5 6 1 165.65 183.49 34.06 o
6 6 1 255.95 278.89 57.65 o
7 6 1 2231.14 2297.17 105.90 o
8 6 1 339.15 312.95 181.92 o
-8 7 1 388.58 615.46 254.78 o
-7 7 1 22.08 -12.07 109.04 o
-6 7 1 638.01 684.10 71.81 o
-5 7 1 1524.87 1506.12 55.56 o
-4 7 1 411.63 386.36 29.89 o
-3 7 1 1737.36 1626.67 32.50 o
-2 7 1 128.12 127.37 21.50 o
-1 7 1 231.74 216.51 18.86 o
0 7 1 1425.82 1439.01 26.20 o
1 7 1 930.29 931.02 27.80 o
2 7 1 901.15 909.03 27.28 o
3 7 1 303.82 242.18 29.89 o
4 7 1 93.76 81.79 33.54 o
5 7 1 1367.18 1376.10 61.86 o
6 7 1 1707.41 1587.36 94.88 o
7 7 1 22.21 123.72 152.04 o
-7 8 1 23.31 -201.30 210.21 o
-6 8 1 51.27 161.99 101.17 o
-5 8 1 1281.43 1200.48 68.68 o
-4 8 1 124.20 79.15 45.61 o
-3 8 1 41.11 20.46 36.18 o
-2 8 1 96.01 91.22 27.80 o
-1 8 1 792.93 723.97 31.97 o
0 8 1 1257.15 1253.95 33.54 o
1 8 1 751.64 709.29 31.45 o
2 8 1 94.72 97.00 29.36 o
3 8 1 117.94 94.88 40.36 o
4 8 1 354.79 321.37 50.34 o
5 8 1 669.04 615.98 79.15 o
6 8 1 1045.72 1097.74 125.81 o
7 8 1 1353.71 1191.05 224.37 o
-6 9 1 65.68 194.48 158.30 o
-5 9 1 103.58 104.31 95.92 o
-4 9 1 140.83 138.40 73.93 o
-3 9 1 486.44 525.80 64.47 o
-2 9 1 34.12 -46.13 46.13 o
-1 9 1 251.89 225.41 46.66 o
0 9 1 608.22 644.79 46.13 o
1 9 1 356.78 419.90 44.57 o
2 9 1 574.05 595.52 50.34 o
3 9 1 91.27 30.93 64.99 o
4 9 1 701.51 848.21 85.97 o
5 9 1 2328.01 2519.45 160.94 o
6 9 1 1090.12 1180.58 210.73 o
-6 10 1 348.44 271.55 274.16 o
-5 10 1 1966.35 1782.40 199.22 o
-4 10 1 504.73 470.76 132.63 o
-3 10 1 594.01 507.47 91.74 o
-2 10 1 220.67 142.05 79.67 o
-1 10 1 246.12 238.53 73.93 o
0 10 1 246.14 280.45 72.33 o
1 10 1 324.08 309.82 70.24 o
2 10 1 295.89 262.64 80.72 o
3 10 1 451.38 484.92 89.66 o
4 10 1 127.54 1.04 147.31 o
5 10 1 966.52 871.80 186.10 o
6 10 1 672.51 278.37 332.36 o
-5 11 1 1346.50 1966.38 368.02 o
-4 11 1 1747.28 2155.64 257.39 o
-3 11 1 348.59 122.15 160.42 o
-2 11 1 598.45 461.33 164.60 o
-1 11 1 350.05 100.65 110.60 o
0 11 1 81.05 395.79 116.38 o
1 11 1 100.87 -71.29 116.90 o
2 11 1 659.46 680.97 143.13 o
3 11 1 132.78 198.17 153.60 o
4 11 1 2096.14 1792.87 296.70 o
5 11 1 590.91 752.78 402.08 o
-2 12 1 898.89 1008.08 294.09 o
-1 12 1 290.90 184.01 197.65 o
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2 12 1 26.01 352.82 260.55 o
3 12 1 68.93 377.45 307.21 o
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-3 0 2 489.39 474.94 12.59 o
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5 0 2 290.99 301.43 24.63 o
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-4 1 2 1945.63 1939.13 20.98 o
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-1 1 2 884.15 933.66 14.68 o
1 1 2 53.41 62.38 4.21 o
2 1 2 184.14 201.83 9.43 o
3 1 2 355.13 342.84 13.64 o
4 1 2 622.25 664.20 15.73 o
5 1 2 3812.94 3950.60 31.97 o
6 1 2 151.69 98.04 22.02 o
7 1 2 317.49 319.77 40.36 o
8 1 2 892.60 1047.95 86.49 o
9 1 2 497.82 812.03 210.21 o
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-7 2 2 1636.08 1741.48 50.86 o
-5 2 2 1348.20 1337.83 20.46 o
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1 2 2 303.14 349.65 8.38 o
3 2 2 489.93 488.58 15.20 o
5 2 2 265.87 287.27 18.86 o
7 2 2 796.87 868.64 47.70 o
9 2 2 828.48 1108.73 213.90 o
-9 3 2 924.92 1264.46 185.06 o
-8 3 2 448.45 503.78 77.06 o
-7 3 2 107.06 151.52 38.27 o
-6 3 2 350.47 304.56 22.54 o
-5 3 2 72.79 37.75 13.64 o
-4 3 2 2573.15 2455.51 27.28 o
-3 3 2 52.77 38.79 9.43 o
-2 3 2 1220.44 1284.36 23.59 o
-1 3 2 1532.46 1582.66 18.86 o
0 3 2 212.79 228.58 9.43 o
1 3 2 514.75 504.82 14.16 o
2 3 2 15.68 33.02 10.47 o
3 3 2 1099.53 1126.58 21.50 o
4 3 2 233.72 193.44 17.29 o
5 3 2 1632.66 1671.24 29.89 o
6 3 2 1306.69 1420.67 40.36 o
7 3 2 32.81 58.73 48.22 o
8 3 2 321.14 416.24 102.22 o
-9 4 2 23.54 -202.35 202.35 o
-7 4 2 303.06 326.59 46.66 o
-5 4 2 307.53 287.80 17.29 o
-3 4 2 441.25 424.11 17.81 o
-1 4 2 559.26 636.41 13.64 o
1 4 2 569.43 593.96 13.64 o
3 4 2 2355.65 2344.35 30.41 o
5 4 2 78.61 61.34 22.54 o
7 4 2 1058.54 1134.97 60.29 o
-8 5 2 48.51 -130.02 134.19 o
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-6 5 2 160.23 159.90 30.41 o
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-4 5 2 100.87 124.24 16.77 o
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0 5 2 0.99 23.07 10.47 o
1 5 2 2082.52 2087.48 26.20 o
2 5 2 146.79 136.83 15.20 o
3 5 2 1290.38 1276.50 33.54 o
4 5 2 382.54 394.22 24.11 o
5 5 2 831.28 798.39 34.06 o
6 5 2 686.72 595.00 50.86 o
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-7 6 2 31.15 104.86 74.97 o
-5 6 2 253.72 250.57 31.45 o
-3 6 2 996.07 1010.72 26.72 o
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3 6 2 161.95 160.42 22.02 o
5 6 2 426.48 449.26 41.40 o
7 6 2 1.36 72.85 119.51 o
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0 7 2 195.80 201.83 21.50 o
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2 7 2 555.54 533.14 29.89 o
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6 7 2 39.76 -5.25 85.97 o
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4 2 3 432.39 415.20 19.93 o
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6 2 3 146.94 153.08 27.80 o
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