#------------------------------------------------------------------------------
#$Date: 2018-02-28 09:17:44 +0200 (Wed, 28 Feb 2018) $
#$Revision: 206691 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/10/2021043.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_2021043
_cell_angle_alpha                90.000
_cell_angle_beta                 94.351
_cell_angle_gamma                90.000
_cell_length_a                   9.3676
_cell_length_b                   17.6232
_cell_length_c                   11.3172
_exptl_crystal_F_000             940.00
_reflns_d_resolution_high        0.8403
_cod_data_source_file            lf3071140901bsup3.hkl
_cod_data_source_block           140901b
_shelx_title                     ' 140901b in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            254.52
_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 59477.79 58845.93 696.79 o
4 0 0 29070.41 25635.45 517.55 o
6 0 0 15060.50 14894.53 1289.39 o
8 0 0 1471.93 1879.75 284.54 o
10 0 0 625.27 824.49 306.94 o
2 1 0 1455.72 1033.29 220.69 o
3 1 0 9596.30 8781.04 236.21 o
4 1 0 2065.14 1894.54 130.22 o
5 1 0 12860.06 11959.19 439.47 o
6 1 0 2034.85 1550.60 108.76 o
7 1 0 2637.94 2910.37 168.36 o
8 1 0 1194.31 1132.46 177.06 o
9 1 0 731.93 1403.80 222.96 o
10 1 0 729.87 710.97 188.20 o
11 1 0 220.46 125.03 166.84 o
1 2 0 5912.42 7599.36 118.03 o
2 2 0 84.32 166.18 62.73 o
3 2 0 3184.84 3397.95 139.74 o
4 2 0 439.88 509.37 70.05 o
5 2 0 9932.98 8046.75 231.54 o
6 2 0 3932.57 3439.30 183.73 o
7 2 0 4471.01 5401.49 569.08 o
8 2 0 268.29 470.54 118.29 o
9 2 0 2940.87 2473.24 254.60 o
10 2 0 88.86 102.85 153.94 o
11 2 0 1004.92 1280.40 241.56 o
1 3 0 791.14 868.23 56.59 o
2 3 0 1309.79 945.78 343.91 o
4 3 0 4509.58 4517.47 126.78 o
5 3 0 2054.27 2266.86 125.04 o
6 3 0 4127.28 4220.62 227.87 o
7 3 0 678.61 613.14 131.09 o
8 3 0 2640.17 2868.82 230.94 o
9 3 0 134.97 181.15 121.65 o
10 3 0 1775.70 1748.01 306.94 o
11 3 0 29.46 304.16 159.07 o
0 4 0 30503.75 38856.31 524.95 o
2 4 0 14340.83 15912.29 1632.20 o
4 4 0 23461.75 23766.88 299.66 o
5 4 0 1346.40 1199.75 83.95 o
6 4 0 9296.94 9009.02 326.36 o
7 4 0 1670.78 1670.43 180.52 o
8 4 0 1683.99 1866.96 271.10 o
9 4 0 791.40 371.92 172.52 o
10 4 0 374.86 312.19 161.09 o
1 5 0 47142.26 59898.86 1598.12 o
2 5 0 761.56 688.70 54.99 o
3 5 0 29065.44 29864.19 1409.76 o
4 5 0 111.25 164.07 50.37 o
5 5 0 18384.81 19731.89 298.86 o
6 5 0 72.78 104.18 82.04 o
7 5 0 4921.87 5107.00 277.03 o
8 5 0 4.91 11.26 93.13 o
9 5 0 1069.61 1189.69 266.62 o
10 5 0 28.98 8.96 194.92 o
0 6 0 30375.69 38729.34 718.86 o
2 6 0 32432.04 33109.20 936.84 o
3 6 0 2771.14 2958.37 110.57 o
4 6 0 18143.21 22989.51 797.92 o
5 6 0 506.11 531.12 67.83 o
6 6 0 6682.72 7808.85 317.14 o
7 6 0 1169.01 730.83 148.12 o
8 6 0 1139.30 881.57 175.01 o
9 6 0 903.57 832.97 178.83 o
10 6 0 410.96 470.50 241.97 o
1 7 0 9270.41 11064.17 226.50 o
2 7 0 12147.48 11473.96 716.47 o
3 7 0 2990.19 3100.60 110.55 o
4 7 0 5863.95 5618.22 359.93 o
5 7 0 232.17 277.98 97.19 o
6 7 0 4739.78 4610.74 274.56 o
7 7 0 266.33 286.98 103.27 o
8 7 0 3020.76 2726.61 244.97 o
9 7 0 45.42 151.06 145.63 o
1 8 0 610.64 646.52 55.22 o
2 8 0 9774.73 8882.86 433.51 o
3 8 0 3008.08 2440.96 115.58 o
4 8 0 2457.36 2505.09 132.59 o
5 8 0 1300.64 1201.60 127.75 o
6 8 0 1302.70 1631.39 144.08 o
7 8 0 3615.71 3499.66 264.76 o
9 8 0 1678.99 2368.18 349.51 o
1 9 0 28946.12 33264.42 439.03 o
2 9 0 3264.92 3976.03 186.27 o
3 9 0 12375.19 13350.23 892.43 o
4 9 0 628.51 429.94 73.71 o
5 9 0 6806.64 6312.00 370.57 o
6 9 0 814.95 749.61 175.63 o
7 9 0 1562.76 1583.57 156.33 o
8 9 0 2048.94 1963.64 246.45 o
9 9 0 555.04 662.37 183.72 o
10 9 0 353.43 598.21 250.93 o
0 10 0 22665.99 27974.21 449.33 o
1 10 0 254.16 261.92 52.75 o
2 10 0 27443.41 33476.23 1562.19 o
3 10 0 323.44 221.07 67.34 o
4 10 0 11550.07 11965.20 326.51 o
5 10 0 108.79 167.66 75.65 o
6 10 0 4904.96 5045.54 250.30 o
7 10 0 16.12 39.43 116.67 o
8 10 0 2934.24 3189.88 770.72 o
9 10 0 26.79 83.28 124.30 o
1 11 0 14041.89 13570.57 317.95 o
2 11 0 58.66 10.19 49.39 o
3 11 0 12327.50 12275.60 380.95 o
4 11 0 212.18 265.51 87.01 o
5 11 0 5371.79 5534.48 316.44 o
6 11 0 2327.25 1917.79 164.10 o
7 11 0 2529.61 2760.95 283.42 o
8 11 0 635.54 658.25 179.59 o
9 11 0 226.45 278.71 169.86 o
0 12 0 787.13 784.85 102.17 o
1 12 0 179.75 126.83 49.04 o
2 12 0 2610.77 2771.35 140.56 o
3 12 0 575.69 853.64 113.83 o
4 12 0 613.67 405.41 95.91 o
5 12 0 2523.82 2283.21 250.88 o
6 12 0 126.84 212.66 125.41 o
7 12 0 2174.30 2165.63 243.08 o
8 12 0 44.20 127.67 154.41 o
9 12 0 1357.61 1383.04 228.82 o
1 13 0 2870.74 2554.58 116.82 o
2 13 0 1126.06 1147.47 103.97 o
3 13 0 1234.66 1283.10 113.55 o
4 13 0 1231.13 951.63 129.88 o
5 13 0 1565.05 1402.62 195.76 o
6 13 0 2383.47 2044.61 236.86 o
7 13 0 485.75 379.49 145.52 o
8 13 0 1686.50 1573.99 242.98 o
0 14 0 12930.33 15219.99 387.57 o
1 14 0 178.30 170.92 57.90 o
2 14 0 13657.78 15311.45 343.07 o
3 14 0 1205.34 1236.38 144.81 o
4 14 0 10049.02 10979.71 474.47 o
5 14 0 1084.81 1347.71 193.26 o
6 14 0 3471.72 3753.77 319.15 o
7 14 0 1192.58 961.83 191.39 o
8 14 0 1318.41 1125.80 236.36 o
1 15 0 13724.98 15641.25 288.28 o
2 15 0 163.68 241.27 84.69 o
3 15 0 6985.52 6962.15 393.28 o
4 15 0 93.52 52.36 108.44 o
5 15 0 4802.11 5404.72 376.05 o
6 15 0 7.62 20.37 135.07 o
7 15 0 2391.91 2400.33 286.78 o
0 16 0 9009.27 10692.82 351.71 o
1 16 0 213.79 362.28 81.77 o
2 16 0 8138.74 8083.65 320.25 o
3 16 0 542.59 626.46 179.81 o
4 16 0 3933.56 3359.95 307.34 o
5 16 0 1093.67 1219.35 220.14 o
6 16 0 1664.98 1432.21 226.40 o
7 16 0 573.77 644.88 239.73 o
1 17 0 950.44 1092.75 107.44 o
2 17 0 883.71 829.07 190.86 o
3 17 0 10.31 10.24 107.74 o
4 17 0 651.13 713.46 202.88 o
5 17 0 275.25 197.43 171.18 o
6 17 0 1081.50 1179.15 237.24 o
0 18 0 787.07 666.64 192.68 o
1 18 0 41.48 55.06 77.46 o
2 18 0 1906.60 2214.55 247.78 o
3 18 0 413.65 327.69 154.46 o
4 18 0 1338.92 1426.35 248.66 o
5 18 0 1044.46 891.20 186.89 o
1 19 0 5241.71 5222.90 288.82 o
2 19 0 270.43 256.05 181.73 o
3 19 0 6500.98 7401.40 446.75 o
4 19 0 131.69 94.26 126.93 o
0 20 0 6510.17 6993.27 420.33 o
1 20 0 17.44 100.45 140.46 o
2 20 0 7296.52 8035.87 472.07 o
3 20 0 8.14 4.48 140.44 o
-11 0 1 3.04 56.01 199.40 o
-9 0 1 136.09 273.34 237.49 o
-7 0 1 2889.25 2697.53 259.89 o
-3 0 1 19259.88 16675.81 401.04 o
3 0 1 14152.13 14621.88 741.60 o
5 0 1 39013.62 36553.77 540.98 o
7 0 1 6827.11 6241.95 436.89 o
9 0 1 2960.73 3945.47 468.26 o
11 0 1 1097.01 1312.92 374.16 o
-11 1 1 405.40 287.97 155.16 o
-10 1 1 1.62 0.00 137.02 o
-9 1 1 1068.59 1102.73 179.56 o
-8 1 1 233.78 322.63 172.52 o
-7 1 1 2203.81 2448.36 150.08 o
-6 1 1 2671.68 2251.54 136.31 o
-5 1 1 6239.24 6848.60 1491.03 o
-3 1 1 5565.39 6927.85 621.73 o
-2 1 1 2384.70 3038.39 252.05 o
1 1 1 5614.79 7987.53 1087.75 o
2 1 1 12573.88 14326.47 3176.99 o
3 1 1 24.89 167.31 51.47 o
4 1 1 18516.18 15766.20 598.32 o
5 1 1 206.38 167.15 56.04 o
6 1 1 11154.49 9555.88 211.34 o
7 1 1 211.52 214.32 81.49 o
8 1 1 2871.68 3231.85 250.80 o
9 1 1 398.53 292.54 144.63 o
10 1 1 1733.00 1786.18 242.25 o
11 1 1 166.73 250.28 166.17 o
-11 2 1 16.23 44.81 146.30 o
-10 2 1 1968.37 2117.91 265.31 o
-9 2 1 44.10 247.51 119.46 o
-8 2 1 5510.34 6419.99 318.73 o
-7 2 1 646.44 381.86 87.72 o
-6 2 1 6017.12 6666.60 215.77 o
-5 2 1 181.46 184.81 63.42 o
-4 2 1 21233.82 20304.18 1152.03 o
-2 2 1 21221.37 22855.67 2643.96 o
-1 2 1 11279.79 15543.99 696.98 o
0 2 1 11913.88 11318.71 655.34 o
1 2 1 1251.20 1257.65 90.26 o
2 2 1 3698.86 6661.80 1131.44 o
3 2 1 3150.35 3450.49 127.35 o
5 2 1 5181.35 4386.61 139.16 o
6 2 1 2240.50 1850.69 281.18 o
7 2 1 1235.49 913.07 116.16 o
8 2 1 954.28 1034.22 178.64 o
9 2 1 454.49 221.31 172.49 o
10 2 1 756.21 774.10 177.79 o
-11 3 1 983.28 1233.56 271.10 o
-10 3 1 52.85 153.62 153.65 o
-9 3 1 2807.17 3506.33 374.16 o
-8 3 1 2.40 16.72 88.15 o
-7 3 1 5947.16 6815.66 981.33 o
-6 3 1 74.10 107.43 65.58 o
-5 3 1 16131.81 14764.48 1010.70 o
-4 3 1 7346.80 5758.30 164.43 o
-3 3 1 12391.34 11897.86 284.87 o
-1 3 1 14562.83 17504.35 433.01 o
1 3 1 14575.80 13614.35 1033.98 o
2 3 1 8152.68 6373.05 909.63 o
3 3 1 1466.20 1244.76 151.23 o
4 3 1 1092.19 1006.80 172.52 o
5 3 1 7.56 82.63 67.14 o
6 3 1 2896.29 2900.79 190.73 o
7 3 1 505.88 533.43 122.81 o
8 3 1 988.69 1023.68 170.65 o
9 3 1 1474.33 1225.49 269.98 o
10 3 1 109.27 186.81 153.73 o
-10 4 1 378.28 356.23 181.48 o
-9 4 1 132.94 156.83 188.20 o
-8 4 1 1692.56 1842.48 222.93 o
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-6 4 1 4502.22 3998.69 163.86 o
-5 4 1 6274.81 5990.91 253.50 o
-4 4 1 4558.97 4783.34 163.99 o
-3 4 1 9163.46 9811.19 372.86 o
-2 4 1 14958.68 15901.31 344.48 o
0 4 1 4228.37 3306.27 91.68 o
1 4 1 33148.63 34688.00 816.20 o
3 4 1 15696.21 17622.35 2488.04 o
4 4 1 24.85 171.08 68.85 o
5 4 1 26318.42 23713.34 1510.08 o
6 4 1 74.43 88.19 85.15 o
7 4 1 7426.57 6778.56 329.35 o
8 4 1 302.06 203.59 88.81 o
9 4 1 2037.32 2005.65 236.96 o
10 4 1 688.43 537.55 183.18 o
-9 5 1 49.99 2.24 94.89 o
-8 5 1 532.00 508.61 124.35 o
-7 5 1 0.05 0.00 67.20 o
-6 5 1 3342.98 3019.87 154.59 o
-5 5 1 11.38 6.34 52.40 o
-4 5 1 13662.92 15493.27 279.31 o
-3 5 1 101.42 43.70 42.76 o
0 5 1 51472.31 48192.11 674.77 o
1 5 1 537.95 656.09 55.69 o
2 5 1 34329.20 34307.71 1293.87 o
3 5 1 23.97 11.20 58.62 o
4 5 1 29044.09 26658.79 2732.25 o
5 5 1 20.00 44.38 66.31 o
6 5 1 20288.46 17646.64 1957.05 o
7 5 1 0.92 4.37 82.89 o
8 5 1 4040.01 4033.29 747.20 o
9 5 1 11.11 2.24 102.24 o
10 5 1 1055.29 937.71 191.38 o
-9 6 1 25.31 188.20 156.83 o
-8 6 1 1337.41 1269.17 170.17 o
-7 6 1 427.36 653.57 123.89 o
-6 6 1 1753.02 2174.82 177.10 o
-5 6 1 6067.73 5412.88 187.72 o
-4 6 1 8502.00 8862.32 200.10 o
-3 6 1 10881.48 13756.44 271.00 o
-2 6 1 2850.74 2595.22 103.14 o
-1 6 1 28844.21 27509.70 571.62 o
0 6 1 992.49 1085.80 56.10 o
1 6 1 29214.02 32257.76 1198.03 o
2 6 1 69.17 7.54 48.33 o
3 6 1 27614.19 26510.94 391.71 o
4 6 1 702.70 826.89 201.64 o
5 6 1 14414.98 17461.30 972.36 o
6 6 1 1.56 78.06 83.86 o
7 6 1 5465.63 5044.30 467.14 o
8 6 1 76.33 242.28 103.69 o
9 6 1 1485.34 1812.54 280.06 o
10 6 1 62.19 119.24 149.40 o
-9 7 1 3823.42 4391.32 468.26 o
-8 7 1 12.55 34.38 105.83 o
-7 7 1 4555.81 4837.65 257.59 o
-6 7 1 41.95 61.55 71.40 o
-5 7 1 9259.05 9768.41 388.38 o
-3 7 1 21196.26 24692.21 1029.65 o
-2 7 1 8110.82 9178.13 492.34 o
-1 7 1 15323.45 17912.37 255.53 o
1 7 1 1257.50 1199.26 80.16 o
2 7 1 619.37 544.80 70.96 o
3 7 1 175.17 74.48 47.78 o
4 7 1 954.84 714.94 68.97 o
5 7 1 338.75 178.72 91.86 o
6 7 1 1410.05 1308.69 161.32 o
7 7 1 1135.79 1146.91 245.33 o
8 7 1 114.88 43.43 102.36 o
9 7 1 392.81 339.21 130.00 o
10 7 1 27.64 0.00 201.64 o
-10 8 1 1316.91 1639.73 333.83 o
-9 8 1 223.71 224.85 150.69 o
-8 8 1 4220.81 3846.91 316.55 o
-7 8 1 215.20 466.79 108.82 o
-6 8 1 3565.50 4623.43 219.83 o
-5 8 1 1139.44 881.52 92.20 o
-4 8 1 7107.61 7164.16 707.56 o
-2 8 1 20129.24 21409.04 391.55 o
-1 8 1 9496.93 9848.59 310.28 o
0 8 1 11894.09 11930.14 181.33 o
2 8 1 1872.83 1863.00 98.29 o
4 8 1 91.57 148.92 84.90 o
5 8 1 1996.00 2414.44 199.62 o
6 8 1 796.47 608.21 115.62 o
7 8 1 1216.95 1151.50 160.33 o
8 8 1 939.81 1020.57 169.01 o
9 8 1 305.66 337.71 155.99 o
-10 9 1 25.46 105.10 165.12 o
-9 9 1 1467.60 1418.99 399.92 o
-8 9 1 181.16 247.53 197.16 o
-7 9 1 1667.08 1729.06 220.14 o
-6 9 1 973.75 1189.23 167.73 o
-5 9 1 715.83 1021.13 112.38 o
-4 9 1 6506.37 6319.84 264.53 o
-3 9 1 8241.45 9403.78 211.62 o
-2 9 1 12010.18 14595.54 260.68 o
-1 9 1 4676.06 4374.67 126.89 o
0 9 1 21483.29 25441.52 400.64 o
1 9 1 57.61 112.51 55.63 o
2 9 1 22730.25 26390.19 972.18 o
3 9 1 198.25 107.57 52.83 o
4 9 1 10036.18 11498.25 668.52 o
5 9 1 36.24 41.68 69.63 o
6 9 1 5696.15 5633.72 262.02 o
7 9 1 967.78 955.25 150.54 o
8 9 1 2674.05 2705.12 243.36 o
9 9 1 287.67 274.10 153.97 o
-9 10 1 306.99 338.64 165.54 o
-8 10 1 20.59 85.04 148.82 o
-7 10 1 1103.81 1078.73 281.18 o
-6 10 1 315.61 157.62 114.48 o
-5 10 1 2872.32 3293.95 205.32 o
-4 10 1 211.07 195.17 73.49 o
-3 10 1 12567.08 13591.54 350.15 o
-2 10 1 318.86 552.34 70.58 o
-1 10 1 17876.80 19304.44 257.85 o
0 10 1 106.48 195.53 49.67 o
1 10 1 26454.51 28604.93 525.70 o
2 10 1 30.68 12.17 47.23 o
3 10 1 21366.38 20788.92 993.87 o
4 10 1 87.54 109.62 82.18 o
5 10 1 13672.82 14743.48 400.34 o
6 10 1 23.27 134.59 85.19 o
7 10 1 8856.39 10109.51 358.89 o
8 10 1 28.37 161.08 111.20 o
9 10 1 2845.90 2756.56 281.88 o
-9 11 1 759.07 1174.01 214.60 o
-8 11 1 309.63 169.01 165.70 o
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-6 11 1 1301.88 1126.32 310.30 o
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0 11 1 7706.38 8996.00 183.59 o
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2 11 1 11848.17 14427.65 295.28 o
3 11 1 568.31 419.21 77.22 o
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9 11 1 208.97 198.63 135.56 o
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4 12 1 215.54 283.61 107.18 o
5 12 1 339.11 228.82 100.51 o
6 12 1 126.41 186.13 99.49 o
7 12 1 443.26 443.61 145.75 o
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-4 13 1 772.27 649.77 145.75 o
-3 13 1 7919.30 8136.87 298.18 o
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0 13 1 1924.23 1988.07 102.07 o
1 13 1 630.08 497.88 78.80 o
2 13 1 871.81 754.45 93.39 o
3 13 1 1551.19 1671.68 154.91 o
4 13 1 1768.48 1904.64 175.16 o
5 13 1 23.88 27.21 81.18 o
6 13 1 668.20 627.44 175.45 o
7 13 1 370.86 261.39 142.16 o
8 13 1 403.93 501.32 169.02 o
-8 14 1 674.76 619.70 179.18 o
-7 14 1 1116.13 1279.01 209.80 o
-6 14 1 2241.32 2504.68 270.70 o
-5 14 1 2769.52 3623.16 306.90 o
-4 14 1 2764.66 2428.85 393.20 o
-3 14 1 6634.39 6483.90 277.25 o
-2 14 1 1874.35 1920.94 135.79 o
-1 14 1 11838.67 13203.55 254.16 o
0 14 1 360.28 284.87 61.46 o
1 14 1 13378.68 14893.13 397.08 o
2 14 1 1.87 74.37 61.55 o
3 14 1 17407.61 20632.98 1099.06 o
4 14 1 56.63 81.25 97.23 o
5 14 1 7375.55 8856.49 723.67 o
6 14 1 239.09 196.37 130.69 o
7 14 1 2690.44 2882.85 300.21 o
8 14 1 401.34 222.95 160.70 o
-7 15 1 13.93 143.21 140.04 o
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-5 15 1 193.02 99.61 112.88 o
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0 15 1 11232.29 12237.89 255.72 o
1 15 1 68.17 87.03 73.30 o
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