#------------------------------------------------------------------------------
#$Date: 2019-02-02 05:33:04 +0200 (Sat, 02 Feb 2019) $
#$Revision: 213441 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/14/2021470.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_2021470
_cell_angle_alpha                90.000
_cell_angle_beta                 94.319
_cell_angle_gamma                90.000
_cell_length_a                   9.4469
_cell_length_b                   17.8037
_cell_length_c                   11.3621
_exptl_crystal_F_000             960.00
_reflns_d_resolution_high        0.8404
_cod_data_source_file            lf3085150917a_sqsup5.hkl
_cod_data_source_block           150917a_sq
_shelx_title                     ' 150917a in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            280.80
_shelx_f_squared_multiplier      1.000
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 51755.35 67975.19 2140.76 o
4 0 0 28210.71 26355.55 1080.18 o
6 0 0 14027.20 15428.64 695.92 o
8 0 0 1255.27 2087.32 273.04 o
10 0 0 716.35 521.54 313.70 o
2 1 0 2715.46 2803.05 108.49 o
3 1 0 7931.08 8308.96 235.11 o
4 1 0 2291.44 2014.78 99.31 o
5 1 0 11113.06 12549.47 352.95 o
6 1 0 1639.97 1960.57 130.36 o
7 1 0 2292.63 2454.53 186.17 o
8 1 0 1124.83 1278.93 193.14 o
9 1 0 817.97 975.12 202.40 o
10 1 0 791.23 292.16 152.72 o
11 1 0 149.91 -5.30 151.46 o
1 2 0 4831.98 3764.58 197.97 o
2 2 0 18.57 109.72 48.23 o
3 2 0 3277.89 2886.74 122.17 o
4 2 0 353.84 970.63 91.89 o
5 2 0 8345.66 7335.51 255.58 o
6 2 0 3389.02 2859.30 256.31 o
7 2 0 4438.87 4578.72 202.63 o
8 2 0 400.69 450.78 164.31 o
9 2 0 3045.59 2970.07 453.41 o
10 2 0 101.93 14.59 134.12 o
11 2 0 863.85 199.18 135.34 o
1 3 0 669.83 770.42 260.71 o
2 3 0 1141.62 1378.11 152.06 o
3 3 0 1623.63 1780.58 104.79 o
4 3 0 4215.76 3624.93 203.57 o
5 3 0 1647.08 2238.09 226.11 o
6 3 0 3760.15 3945.93 251.76 o
7 3 0 745.08 844.65 119.10 o
8 3 0 2543.87 2740.10 171.84 o
9 3 0 134.21 237.93 175.12 o
10 3 0 1736.60 632.41 172.85 o
11 3 0 56.89 24.72 131.48 o
0 4 0 27564.99 29836.77 1705.60 o
1 4 0 285.42 301.79 111.98 o
2 4 0 13503.36 12698.21 371.88 o
3 4 0 1698.88 1496.84 97.91 o
4 4 0 20236.24 20650.15 799.69 o
5 4 0 980.15 1471.68 189.19 o
6 4 0 8856.14 9198.84 452.51 o
7 4 0 1657.34 1890.68 152.60 o
8 4 0 1366.35 1804.34 390.91 o
9 4 0 686.31 917.11 224.56 o
10 4 0 256.27 171.41 127.38 o
11 4 0 369.28 127.24 149.30 o
1 5 0 42671.25 49147.25 3577.84 o
2 5 0 822.87 719.21 85.62 o
3 5 0 26355.15 26807.52 758.50 o
4 5 0 7.23 137.97 71.78 o
5 5 0 17504.28 15930.66 609.01 o
6 5 0 80.20 40.88 78.44 o
7 5 0 4220.97 4810.48 213.76 o
8 5 0 3.40 -47.13 99.98 o
9 5 0 827.10 874.06 184.81 o
10 5 0 46.56 112.87 140.12 o
0 6 0 25428.54 32293.78 1861.82 o
1 6 0 2423.71 3158.09 361.04 o
2 6 0 27165.34 26958.20 1397.39 o
3 6 0 3384.55 3207.03 214.15 o
4 6 0 16712.91 18418.02 636.43 o
5 6 0 673.79 1089.75 114.18 o
6 6 0 6379.77 6608.31 298.64 o
7 6 0 795.03 1174.53 140.35 o
8 6 0 840.33 1116.48 157.04 o
9 6 0 746.69 794.47 191.53 o
10 6 0 207.07 93.45 183.77 o
1 7 0 8157.49 8186.87 444.66 o
2 7 0 10754.94 11160.45 1099.31 o
3 7 0 1696.68 1789.52 99.89 o
4 7 0 5722.68 5328.12 199.77 o
5 7 0 75.24 226.35 76.06 o
6 7 0 4696.55 4442.68 415.49 o
7 7 0 124.29 215.89 99.75 o
8 7 0 3034.97 3288.21 363.42 o
9 7 0 5.67 109.19 283.43 o
10 7 0 1091.32 545.34 411.58 o
0 8 0 8529.44 10253.72 440.08 o
1 8 0 670.07 881.71 119.72 o
2 8 0 9713.03 8719.73 397.88 o
3 8 0 1898.96 2161.10 111.05 o
4 8 0 2482.53 2341.37 124.20 o
5 8 0 1128.57 1646.06 127.53 o
6 8 0 1117.41 1523.47 197.44 o
7 8 0 3237.69 3030.54 206.21 o
8 8 0 1170.11 1415.12 202.75 o
9 8 0 1696.25 1331.10 304.24 o
10 8 0 67.80 62.96 164.31 o
1 9 0 27628.87 29679.53 989.45 o
2 9 0 3555.71 3255.07 197.38 o
3 9 0 11967.88 11637.29 430.25 o
4 9 0 512.70 674.59 110.23 o
5 9 0 5753.07 5481.19 257.58 o
6 9 0 661.98 886.80 163.59 o
7 9 0 1531.78 1826.11 203.52 o
8 9 0 1843.41 1893.96 284.53 o
9 9 0 520.71 562.89 234.62 o
10 9 0 597.89 1151.45 449.84 o
0 10 0 21009.42 20989.61 864.44 o
1 10 0 326.52 337.82 91.87 o
2 10 0 25364.83 27648.48 1129.45 o
3 10 0 346.89 528.14 174.16 o
4 10 0 10453.48 10224.96 399.14 o
5 10 0 272.26 336.94 110.47 o
6 10 0 4980.05 4925.08 259.54 o
7 10 0 36.77 128.95 136.55 o
8 10 0 3150.96 3312.30 236.49 o
9 10 0 42.27 12.56 248.84 o
1 11 0 10562.62 9988.62 377.70 o
2 11 0 10.06 28.32 60.19 o
3 11 0 8727.74 8331.25 335.81 o
4 11 0 367.55 344.38 105.54 o
5 11 0 4952.95 4965.19 299.01 o
6 11 0 2056.64 2271.41 261.71 o
7 11 0 2341.48 2541.32 201.38 o
8 11 0 732.75 729.07 184.15 o
9 11 0 213.81 347.48 410.00 o
0 12 0 497.20 569.04 167.44 o
1 12 0 161.93 194.01 75.92 o
2 12 0 1681.57 2050.63 135.15 o
3 12 0 895.32 1013.34 150.50 o
4 12 0 234.32 369.75 115.28 o
5 12 0 2364.69 2146.13 179.30 o
6 12 0 109.94 3.02 112.48 o
7 12 0 1964.14 2142.27 227.39 o
8 12 0 58.04 223.82 200.73 o
9 12 0 1456.02 1038.84 407.00 o
1 13 0 2841.71 2504.16 261.22 o
2 13 0 1482.43 1577.17 188.31 o
3 13 0 1847.24 2057.31 290.03 o
4 13 0 1181.23 1306.08 164.16 o
5 13 0 1579.45 1860.66 195.68 o
6 13 0 2404.75 2249.85 197.63 o
7 13 0 511.08 441.46 159.92 o
8 13 0 1689.04 1287.47 270.58 o
0 14 0 11749.47 11496.84 795.50 o
1 14 0 189.94 152.02 101.48 o
2 14 0 12851.93 13604.09 649.00 o
3 14 0 906.73 1175.86 183.51 o
4 14 0 10171.49 9812.76 406.65 o
5 14 0 1303.94 1550.78 182.16 o
6 14 0 3589.09 3616.37 232.95 o
7 14 0 1319.87 1315.80 392.77 o
8 14 0 1283.57 1301.19 268.95 o
1 15 0 12714.95 12183.84 598.73 o
2 15 0 227.03 414.54 144.02 o
3 15 0 5844.29 5650.27 352.58 o
4 15 0 255.66 262.11 141.88 o
5 15 0 4221.26 3694.90 279.67 o
6 15 0 6.64 25.86 173.76 o
7 15 0 2014.42 2117.11 303.00 o
0 16 0 7898.71 8404.94 642.63 o
1 16 0 221.25 360.27 136.48 o
2 16 0 6336.00 6599.53 386.93 o
3 16 0 776.87 997.19 181.23 o
4 16 0 3075.30 2865.40 207.74 o
5 16 0 1189.27 1086.43 331.66 o
6 16 0 1183.77 1163.05 348.98 o
7 16 0 662.23 679.58 332.66 o
1 17 0 543.17 665.52 159.95 o
2 17 0 682.46 942.44 179.10 o
3 17 0 113.65 32.34 110.31 o
4 17 0 757.85 2062.21 1280.74 o
5 17 0 122.10 119.62 154.85 o
6 17 0 1109.34 1080.20 353.37 o
0 18 0 1093.26 829.51 240.27 o
1 18 0 59.23 53.03 117.10 o
2 18 0 2494.87 2333.10 223.84 o
3 18 0 340.15 374.91 139.26 o
4 18 0 1383.87 1395.89 232.78 o
5 18 0 1084.76 1120.42 233.28 o
1 19 0 5125.63 4283.78 306.77 o
2 19 0 369.79 339.61 147.64 o
3 19 0 6425.69 6360.51 425.83 o
4 19 0 180.97 119.09 181.27 o
0 20 0 5715.04 5183.10 497.97 o
1 20 0 17.93 50.82 144.18 o
2 20 0 6735.18 5948.48 566.18 o
3 20 0 54.39 126.68 179.15 o
1 21 0 2028.56 2267.94 282.38 o
-11 0 1 6.64 469.56 335.48 o
-9 0 1 118.41 66.07 156.16 o
-7 0 1 1984.52 2591.91 247.07 o
-5 0 1 4864.54 5414.70 298.31 o
-3 0 1 20146.29 17126.20 1321.33 o
-1 0 1 78845.95 98612.77 5516.54 o
3 0 1 13311.87 11772.72 498.86 o
5 0 1 36483.72 35735.59 1453.13 o
7 0 1 5708.35 6470.14 392.34 o
9 0 1 3250.12 3536.50 423.20 o
11 0 1 984.92 390.84 269.22 o
-11 1 1 456.92 282.70 153.94 o
-10 1 1 6.62 22.51 110.90 o
-9 1 1 988.57 1024.33 159.09 o
-8 1 1 46.31 37.83 114.92 o
-7 1 1 2509.07 2619.74 236.06 o
-6 1 1 2364.14 2529.16 150.04 o
-5 1 1 4774.63 5413.55 183.57 o
-4 1 1 1437.70 1700.43 91.23 o
-3 1 1 6097.19 5824.32 300.35 o
-2 1 1 1090.03 1042.66 95.20 o
-1 1 1 7342.95 7568.20 263.23 o
1 1 1 4035.55 4169.35 156.54 o
2 1 1 9947.58 9815.52 380.47 o
3 1 1 6.32 144.43 52.68 o
4 1 1 18464.79 16412.23 487.95 o
5 1 1 333.84 55.06 76.80 o
6 1 1 7678.26 8130.21 290.56 o
7 1 1 339.24 407.81 135.58 o
8 1 1 3125.86 3312.50 223.61 o
9 1 1 395.42 402.88 244.55 o
10 1 1 1557.81 934.55 250.64 o
11 1 1 141.02 98.75 173.19 o
-11 2 1 2.10 16.45 131.95 o
-10 2 1 1909.08 612.89 151.88 o
-9 2 1 78.06 182.28 153.72 o
-8 2 1 6586.26 5840.78 262.69 o
-7 2 1 561.49 666.70 121.93 o
-6 2 1 5226.25 5988.57 207.98 o
-5 2 1 175.82 337.93 99.75 o
-4 2 1 20570.83 20351.00 532.56 o
-3 2 1 3966.12 4590.13 220.15 o
-2 2 1 20246.09 22475.56 638.30 o
-1 2 1 9779.63 8659.91 371.04 o
0 2 1 10441.30 10622.30 822.69 o
1 2 1 726.51 1200.55 225.96 o
2 2 1 4008.50 4296.98 272.95 o
3 2 1 2389.56 1842.41 98.82 o
4 2 1 610.77 405.01 69.24 o
5 2 1 4283.17 4016.68 171.06 o
6 2 1 2089.32 2182.72 144.92 o
7 2 1 973.08 1082.52 138.59 o
8 2 1 1069.65 1242.26 193.30 o
9 2 1 558.55 469.14 341.32 o
10 2 1 567.57 183.87 195.38 o
11 2 1 91.72 82.80 137.90 o
-11 3 1 982.22 326.57 161.34 o
-10 3 1 1.87 171.15 158.64 o
-9 3 1 3226.81 3388.68 240.22 o
-8 3 1 10.90 332.59 147.43 o
-7 3 1 6444.10 7045.43 473.17 o
-6 3 1 32.87 249.83 85.08 o
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-4 3 1 6296.00 6769.75 231.40 o
-3 3 1 11775.87 11776.99 353.54 o
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-1 3 1 11625.52 11397.13 481.07 o
0 3 1 7204.20 9122.55 849.29 o
1 3 1 11321.83 12644.68 415.76 o
2 3 1 7144.84 7189.38 323.41 o
3 3 1 1337.93 1637.51 178.36 o
4 3 1 1477.84 1617.17 121.52 o
5 3 1 30.27 296.44 75.83 o
6 3 1 2999.50 3216.91 184.45 o
7 3 1 347.52 811.40 145.91 o
8 3 1 966.44 996.60 140.63 o
9 3 1 1216.60 1248.56 206.68 o
10 3 1 108.81 141.96 159.11 o
11 3 1 490.48 56.99 152.47 o
-11 4 1 0.24 22.98 108.25 o
-10 4 1 425.00 474.64 168.22 o
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-6 4 1 3534.41 3621.35 173.08 o
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-1 4 1 3209.48 4314.83 221.72 o
0 4 1 5525.42 4791.78 364.84 o
1 4 1 27508.43 30691.03 847.28 o
2 4 1 3931.22 3554.89 133.97 o
3 4 1 15484.01 15179.25 900.40 o
4 4 1 29.78 218.98 63.83 o
5 4 1 25018.24 22136.48 757.34 o
6 4 1 75.14 156.13 78.30 o
7 4 1 7370.54 7055.60 445.29 o
8 4 1 212.08 258.47 126.21 o
9 4 1 1870.09 2159.59 551.63 o
10 4 1 485.51 221.73 168.63 o
-10 5 1 28.88 -37.98 164.86 o
-9 5 1 26.82 -55.18 147.68 o
-8 5 1 532.90 581.88 170.39 o
-7 5 1 1.21 4.24 81.03 o
-6 5 1 2526.57 2784.66 148.34 o
-5 5 1 6.04 -31.42 62.85 o
-4 5 1 12480.34 13389.57 409.05 o
-3 5 1 31.60 38.88 54.29 o
-2 5 1 7732.26 8398.58 1137.15 o
-1 5 1 3.24 150.16 71.97 o
0 5 1 45814.58 52163.24 1676.52 o
1 5 1 772.72 631.69 66.73 o
2 5 1 28371.83 29039.83 2084.95 o
3 5 1 62.72 54.94 53.27 o
4 5 1 25361.28 24894.89 717.45 o
5 5 1 109.49 94.11 72.70 o
6 5 1 19020.80 19999.58 608.36 o
7 5 1 21.74 46.25 91.20 o
8 5 1 3979.57 4641.39 520.96 o
9 5 1 2.32 64.22 155.80 o
10 5 1 1034.02 595.16 167.85 o
-10 6 1 834.71 398.87 408.62 o
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-8 6 1 1232.95 1877.33 330.78 o
-7 6 1 449.26 636.98 117.33 o
-6 6 1 1790.33 2086.23 230.91 o
-5 6 1 4369.83 5065.30 397.44 o
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-3 6 1 11025.87 10795.35 445.02 o
-2 6 1 2228.00 2628.33 332.98 o
-1 6 1 25235.21 23223.63 1154.06 o
0 6 1 946.83 1315.22 95.81 o
1 6 1 25652.63 28241.63 794.90 o
2 6 1 206.88 279.98 52.33 o
3 6 1 22939.69 20111.63 679.87 o
4 6 1 548.16 636.43 111.54 o
5 6 1 14019.06 14524.62 452.54 o
6 6 1 1.76 163.52 88.41 o
7 6 1 4601.05 4588.03 215.43 o
8 6 1 51.86 191.90 119.76 o
9 6 1 1555.06 1252.08 457.54 o
10 6 1 130.63 20.39 415.10 o
-10 7 1 5.01 -58.39 203.92 o
-9 7 1 4009.38 4214.71 351.85 o
-8 7 1 23.14 213.15 193.16 o
-7 7 1 5013.56 5014.00 270.84 o
-6 7 1 111.14 423.66 150.63 o
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-4 7 1 81.60 244.65 72.97 o
-3 7 1 20853.15 20463.56 834.09 o
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-1 7 1 15407.55 15957.68 1399.39 o
0 7 1 2194.29 2719.67 139.64 o
1 7 1 2133.61 2036.39 131.52 o
2 7 1 315.18 372.33 60.11 o
3 7 1 285.91 176.32 67.23 o
4 7 1 538.88 556.20 84.95 o
5 7 1 555.85 648.65 99.90 o
6 7 1 1078.39 1117.72 124.34 o
7 7 1 978.13 1309.22 149.61 o
8 7 1 86.52 88.41 142.75 o
9 7 1 525.82 529.20 218.51 o
10 7 1 55.41 169.51 420.04 o
-10 8 1 1269.48 768.30 573.19 o
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1 8 1 12490.42 15746.88 640.26 o
2 8 1 2038.91 2033.06 101.50 o
3 8 1 2474.27 2153.40 143.78 o
4 8 1 121.03 147.14 65.73 o
5 8 1 2142.29 2210.14 132.63 o
6 8 1 815.50 1036.28 127.64 o
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8 8 1 906.06 785.35 171.61 o
9 8 1 177.01 378.84 210.50 o
10 8 1 472.53 550.85 389.73 o
-10 9 1 9.20 -41.35 192.79 o
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-8 9 1 50.33 106.36 200.74 o
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-3 9 1 6548.19 7599.65 764.24 o
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5 9 1 0.81 -11.58 68.86 o
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3 11 1 530.77 524.91 100.80 o
4 11 1 8633.97 8073.22 335.60 o
5 11 1 41.83 129.38 99.36 o
6 11 1 4251.64 4192.79 243.26 o
7 11 1 235.78 305.32 204.04 o
8 11 1 1315.30 1124.83 250.18 o
9 11 1 266.27 184.74 203.28 o
-9 12 1 9.39 -84.83 169.65 o
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-6 12 1 6680.43 6266.32 312.76 o
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-1 12 1 332.65 217.94 84.37 o
0 12 1 4896.93 4888.76 363.18 o
1 12 1 1860.08 1988.56 171.44 o
2 12 1 784.47 1024.19 113.71 o
3 12 1 1036.81 898.68 124.13 o
4 12 1 315.16 344.91 105.72 o
5 12 1 248.05 242.62 114.78 o
6 12 1 91.40 111.32 136.36 o
7 12 1 289.10 214.08 201.70 o
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