#------------------------------------------------------------------------------
#$Date: 2018-10-25 05:40:06 +0300 (Thu, 25 Oct 2018) $
#$Revision: 211615 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/12/2021288.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_2021288
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.9767
_cell_length_b                   14.1131
_cell_length_c                   25.7250
_exptl_crystal_F_000             1464.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            yf31499sup10.hkl
_cod_data_source_block           9
_shelx_title                     ' shelxt_a.res in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            398.61
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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 0 0 52213.13 52276.12 637.17 o
4 0 0 22412.44 25017.89 481.55 o
6 0 0 1428.54 1216.67 97.99 o
8 0 0 3601.21 4235.62 250.82 o
1 1 0 8.69 95.89 39.59 o
2 1 0 90760.65 91726.41 741.81 o
3 1 0 3200.96 3671.52 75.76 o
5 1 0 425.98 426.47 45.74 o
6 1 0 15795.41 15278.69 362.04 o
7 1 0 3572.81 3879.64 126.33 o
8 1 0 502.45 637.10 120.73 o
9 1 0 30.38 10.40 53.09 o
0 2 0 206.89 0.62 73.88 o
1 2 0 10316.42 12137.35 309.00 o
2 2 0 2488.08 2538.12 166.18 o
3 2 0 8117.74 7648.69 109.11 o
4 2 0 9670.75 11408.38 269.37 o
5 2 0 5579.22 5571.58 152.98 o
6 2 0 513.88 786.17 56.64 o
7 2 0 84.84 52.12 28.00 o
8 2 0 691.24 800.42 179.87 o
9 2 0 422.89 548.87 77.91 o
1 3 0 5625.66 7734.30 253.77 o
2 3 0 11550.91 12055.71 221.21 o
3 3 0 15.87 151.51 32.23 o
4 3 0 355.85 373.03 28.85 o
5 3 0 173.73 242.98 31.22 o
6 3 0 691.74 885.36 48.28 o
7 3 0 1519.74 1661.77 108.91 o
8 3 0 265.35 450.29 66.92 o
9 3 0 459.82 482.18 71.80 o
0 4 0 20973.81 20578.69 327.33 o
1 4 0 4262.10 4758.71 300.30 o
2 4 0 15646.76 14635.77 348.24 o
3 4 0 3156.87 3228.72 76.57 o
4 4 0 2801.38 2922.52 69.10 o
5 4 0 458.09 458.77 67.87 o
6 4 0 933.57 860.79 84.61 o
7 4 0 731.83 446.82 65.78 o
8 4 0 476.80 386.65 66.01 o
9 4 0 74.81 125.85 74.18 o
1 5 0 10739.38 10282.87 254.14 o
2 5 0 595.97 618.44 72.09 o
3 5 0 8555.80 7698.99 270.08 o
4 5 0 24.82 44.49 18.61 o
5 5 0 1413.11 1140.59 98.21 o
6 5 0 416.38 464.23 72.21 o
7 5 0 1011.81 1053.70 107.96 o
8 5 0 988.69 1092.99 94.41 o
9 5 0 1.37 105.02 88.56 o
0 6 0 983.78 1107.31 83.24 o
1 6 0 60765.91 58809.15 670.52 o
2 6 0 7998.38 7760.85 199.61 o
3 6 0 1800.59 2158.22 74.93 o
4 6 0 4188.99 4015.13 138.13 o
5 6 0 8269.67 8387.53 371.76 o
6 6 0 3.27 80.53 57.49 o
7 6 0 133.95 179.37 63.75 o
8 6 0 30.04 0.80 55.09 o
1 7 0 2585.51 2418.96 85.34 o
2 7 0 22699.20 24194.97 411.10 o
3 7 0 2336.88 2288.63 125.33 o
4 7 0 725.43 557.20 61.14 o
5 7 0 8256.66 8039.45 247.63 o
6 7 0 2390.13 1988.48 125.25 o
7 7 0 3292.29 3584.27 181.10 o
8 7 0 46.35 162.71 155.70 o
0 8 0 41051.17 40321.71 759.62 o
1 8 0 21919.75 21854.31 278.45 o
2 8 0 2932.52 2796.49 132.94 o
3 8 0 453.85 633.76 84.85 o
4 8 0 6795.71 7512.79 230.34 o
5 8 0 112.50 86.92 65.88 o
6 8 0 661.92 626.07 83.56 o
7 8 0 775.96 932.64 96.99 o
8 8 0 415.08 442.31 75.09 o
1 9 0 2380.17 2208.19 105.90 o
2 9 0 4770.85 4762.58 126.33 o
3 9 0 202.79 197.36 63.80 o
4 9 0 55.46 83.64 42.68 o
5 9 0 1270.85 1278.00 111.67 o
6 9 0 2051.29 2396.61 145.40 o
7 9 0 23.01 7.36 57.20 o
8 9 0 582.38 650.82 80.69 o
0 10 0 15036.82 15029.93 453.60 o
1 10 0 64.36 12.07 36.61 o
2 10 0 2548.52 2340.13 89.92 o
3 10 0 341.68 325.13 68.06 o
4 10 0 79.92 266.71 45.54 o
5 10 0 462.05 529.62 89.72 o
6 10 0 209.83 116.00 56.23 o
7 10 0 802.40 674.47 88.10 o
1 11 0 1584.11 1646.98 88.30 o
2 11 0 236.44 273.58 55.86 o
3 11 0 134.51 98.64 44.76 o
4 11 0 75.03 137.34 61.96 o
5 11 0 51.95 74.19 68.87 o
6 11 0 147.54 253.45 67.19 o
7 11 0 434.52 569.71 84.42 o
0 12 0 3215.64 3044.59 199.32 o
1 12 0 501.38 487.96 92.46 o
2 12 0 30.45 51.81 50.36 o
3 12 0 2454.18 2636.66 121.08 o
4 12 0 245.03 256.03 72.47 o
5 12 0 89.96 235.01 103.99 o
6 12 0 54.04 5.66 61.37 o
1 13 0 593.61 644.74 135.50 o
2 13 0 292.17 344.96 62.66 o
3 13 0 1154.05 1162.85 116.84 o
4 13 0 287.20 200.44 70.36 o
5 13 0 71.12 178.97 69.10 o
6 13 0 247.59 273.20 150.54 o
0 14 0 1301.23 1518.40 154.04 o
1 14 0 105.87 116.00 50.90 o
2 14 0 596.09 595.95 68.73 o
3 14 0 1528.26 1531.14 166.78 o
4 14 0 62.18 150.74 77.66 o
5 14 0 1361.65 1409.85 119.71 o
1 15 0 704.26 640.74 75.10 o
2 15 0 36.37 33.93 43.61 o
3 15 0 684.23 714.86 118.90 o
4 15 0 171.26 147.40 87.03 o
0 16 0 73.22 152.07 71.56 o
1 16 0 1299.18 1255.56 99.59 o
2 16 0 5.11 1.79 79.64 o
2 0 1 84064.02 91075.27 775.97 o
3 0 1 19456.70 16847.89 194.18 o
4 0 1 23583.74 20958.20 387.62 o
5 0 1 1490.79 1577.88 75.83 o
6 0 1 1814.99 1842.71 85.84 o
7 0 1 2251.53 1695.46 75.10 o
8 0 1 633.02 522.56 106.57 o
9 0 1 39.64 0.33 49.70 o
-9 1 1 499.96 606.89 80.40 o
-8 1 1 1056.30 979.61 79.26 o
-7 1 1 52.77 32.63 30.80 o
-6 1 1 3781.02 4060.33 123.38 o
-5 1 1 3546.65 3360.15 86.02 o
-4 1 1 15034.84 14446.78 190.63 o
-3 1 1 7726.19 8299.44 126.56 o
-2 1 1 9778.91 9942.51 132.57 o
-1 1 1 6660.56 8658.14 189.80 o
1 1 1 6547.76 8454.92 122.89 o
2 1 1 10032.03 10044.07 162.86 o
3 1 1 7590.44 8238.00 127.83 o
4 1 1 15094.03 14644.72 202.90 o
5 1 1 3607.86 3457.98 111.55 o
6 1 1 3784.01 3943.20 123.63 o
7 1 1 40.64 33.98 28.78 o
8 1 1 984.27 878.68 130.06 o
9 1 1 513.19 323.86 80.47 o
-9 2 1 113.80 171.99 60.50 o
-8 2 1 495.96 449.20 53.55 o
-7 2 1 1210.57 1066.07 112.29 o
-6 2 1 539.49 427.96 76.16 o
-5 2 1 2639.59 2831.19 71.52 o
-4 2 1 5415.58 5829.91 101.52 o
-3 2 1 29410.56 28603.04 353.62 o
-2 2 1 9644.10 9334.31 151.50 o
-1 2 1 10381.15 14992.90 199.46 o
0 2 1 21266.33 20955.06 284.94 o
1 2 1 10598.43 15182.47 261.01 o
2 2 1 9741.90 9256.31 194.77 o
3 2 1 29870.13 29275.36 346.67 o
4 2 1 5715.12 6317.56 127.39 o
5 2 1 2613.64 2741.71 84.61 o
6 2 1 499.42 402.07 42.38 o
7 2 1 1104.93 1102.94 59.59 o
8 2 1 510.48 463.54 60.88 o
9 2 1 120.38 210.37 78.55 o
-9 3 1 535.74 454.32 95.94 o
-8 3 1 122.98 181.83 53.41 o
-7 3 1 1691.33 1887.94 115.42 o
-6 3 1 3721.76 3337.78 145.99 o
-5 3 1 9316.59 8670.44 201.89 o
-4 3 1 972.50 947.75 67.75 o
-3 3 1 14468.56 14944.76 272.01 o
-2 3 1 8076.63 6908.31 231.28 o
-1 3 1 19769.49 20159.79 237.99 o
0 3 1 6204.81 6568.45 129.63 o
1 3 1 19977.69 20393.47 422.93 o
2 3 1 7872.99 7205.44 248.33 o
3 3 1 14163.61 14587.21 198.35 o
4 3 1 892.34 1050.78 51.62 o
5 3 1 9193.31 8189.45 326.68 o
6 3 1 3659.60 3512.51 126.72 o
7 3 1 1684.02 1986.20 118.06 o
8 3 1 126.87 247.83 51.60 o
9 3 1 541.40 469.94 100.99 o
-9 4 1 516.61 607.84 77.63 o
-8 4 1 229.18 345.85 124.05 o
-7 4 1 640.21 758.59 108.97 o
-6 4 1 23.21 74.26 52.40 o
-5 4 1 6523.64 6196.88 211.20 o
-4 4 1 7683.19 6957.16 128.89 o
-3 4 1 5319.03 6343.64 117.08 o
-2 4 1 16048.00 17167.35 221.22 o
-1 4 1 70819.18 71611.14 703.97 o
0 4 1 31935.34 30619.75 269.52 o
1 4 1 69353.58 71083.47 1216.67 o
2 4 1 15840.87 16814.20 425.04 o
3 4 1 5334.38 6307.31 177.35 o
4 4 1 7740.30 7219.92 205.86 o
5 4 1 6757.01 6550.00 140.85 o
6 4 1 10.88 44.94 34.63 o
7 4 1 667.12 852.56 84.82 o
8 4 1 235.76 281.64 63.77 o
9 4 1 513.92 641.07 120.41 o
-9 5 1 136.65 141.60 81.58 o
-8 5 1 247.36 214.62 57.06 o
-7 5 1 2742.85 2946.10 150.02 o
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-5 5 1 7144.93 6353.72 299.35 o
-4 5 1 5919.15 5859.17 170.07 o
-3 5 1 7424.10 7614.30 232.54 o
-2 5 1 7998.12 7396.96 186.90 o
-1 5 1 14642.95 14003.77 239.63 o
0 5 1 2735.03 2744.54 124.09 o
1 5 1 15108.64 14165.59 380.35 o
2 5 1 7820.11 7529.50 271.75 o
3 5 1 7796.78 8036.57 216.57 o
4 5 1 6208.42 6482.97 195.07 o
5 5 1 7398.89 6836.89 293.08 o
6 5 1 2866.94 3097.32 188.08 o
7 5 1 2769.72 2969.21 152.78 o
8 5 1 231.16 243.62 62.17 o
9 5 1 146.51 213.62 94.79 o
-8 6 1 117.00 90.54 79.28 o
-7 6 1 1087.42 1130.17 102.20 o
-6 6 1 920.53 747.74 90.45 o
-5 6 1 1069.75 955.17 135.59 o
-4 6 1 943.93 962.79 50.74 o
-3 6 1 15177.16 15379.41 228.93 o
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3 6 1 15546.44 15512.62 222.13 o
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8 6 1 130.84 62.24 71.33 o
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6 8 1 369.91 351.89 64.41 o
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0 9 1 37.44 72.69 29.61 o
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2 9 1 6355.93 6414.89 158.42 o
3 9 1 1293.14 1217.89 69.41 o
4 9 1 3384.03 3735.74 105.91 o
5 9 1 30.81 92.34 64.50 o
6 9 1 1015.14 988.71 99.71 o
7 9 1 23.89 14.67 57.79 o
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-7 10 1 334.10 359.72 69.26 o
-6 10 1 157.99 247.76 67.98 o
-5 10 1 272.78 206.79 67.95 o
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1 10 1 1481.11 1390.79 70.79 o
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3 10 1 1975.71 1843.35 83.63 o
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5 10 1 271.60 330.91 84.20 o
6 10 1 163.29 265.33 71.10 o
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-6 11 1 1754.95 1814.94 131.27 o
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-3 11 1 1359.09 1288.48 103.81 o
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0 11 1 1960.89 1992.45 161.27 o
1 11 1 539.45 414.19 108.11 o
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4 11 1 145.89 182.00 66.98 o
5 11 1 462.83 473.40 150.85 o
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