#------------------------------------------------------------------------------
#$Date: 2020-04-21 06:11:03 +0300 (Tue, 21 Apr 2020) $
#$Revision: 250980 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/20/2022096.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_2022096
_cell_angle_alpha                90.000
_cell_angle_beta                 101.166
_cell_angle_gamma                90.000
_cell_length_a                   7.2512
_cell_length_b                   20.6215
_cell_length_c                   17.1906
_exptl_crystal_F_000             1352.00
_reflns_d_resolution_high        0.7775
_cod_data_source_file            fn33326_eb951_a_Fsup7.hkl
_cod_data_source_block           6_eb951_a_F
_shelx_title                     ' eb951_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            365.90
_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 56464.29 56201.68 998.08 o
4 0 0 4534.93 4244.87 130.55 o
6 0 0 27211.83 28544.14 778.62 o
8 0 0 528.35 421.70 155.95 o
1 1 0 2036.83 2240.05 37.05 o
2 1 0 18401.47 19076.40 235.85 o
3 1 0 6288.28 5571.25 99.97 o
4 1 0 16007.59 16436.74 247.43 o
5 1 0 911.95 844.63 50.53 o
6 1 0 1065.40 1103.37 103.58 o
7 1 0 1692.83 1270.27 121.02 o
8 1 0 289.71 263.62 94.53 o
9 1 0 586.08 480.26 164.18 o
0 2 0 1474.78 1532.61 48.72 o
1 2 0 31760.56 34623.18 401.62 o
2 2 0 45866.73 45804.39 536.90 o
3 2 0 150.00 110.39 19.34 o
4 2 0 3759.27 3347.36 113.63 o
5 2 0 34460.80 36352.42 505.01 o
6 2 0 801.03 644.18 84.52 o
7 2 0 1406.71 1535.14 135.23 o
8 2 0 1397.06 1244.82 266.81 o
9 2 0 53.40 140.24 111.43 o
1 3 0 23876.25 24458.57 291.37 o
2 3 0 30803.35 31238.77 375.37 o
3 3 0 675.61 722.91 33.71 o
4 3 0 177.47 175.48 28.19 o
5 3 0 612.03 498.05 45.78 o
6 3 0 33.42 82.29 60.31 o
7 3 0 6121.39 6321.62 223.91 o
8 3 0 32.52 202.92 92.79 o
9 3 0 811.31 619.70 132.73 o
0 4 0 22290.05 23888.61 534.28 o
1 4 0 2123.10 2208.24 43.14 o
2 4 0 1415.40 1315.59 40.14 o
3 4 0 37321.59 37995.64 462.54 o
4 4 0 4745.15 4524.62 89.05 o
5 4 0 365.24 283.87 35.96 o
6 4 0 22555.05 23471.91 413.26 o
7 4 0 2297.30 2270.31 195.82 o
8 4 0 39.95 50.87 87.97 o
9 4 0 2144.06 2115.52 188.39 o
1 5 0 2147.47 2330.08 46.50 o
2 5 0 9050.30 9221.99 131.45 o
3 5 0 877.23 813.19 42.15 o
4 5 0 19015.27 19008.40 260.10 o
5 5 0 419.58 422.04 37.48 o
6 5 0 2504.54 2495.71 120.48 o
7 5 0 177.17 202.02 78.24 o
8 5 0 369.97 392.80 143.50 o
0 6 0 2558.82 2245.17 92.74 o
1 6 0 1519.65 1464.42 45.66 o
2 6 0 64719.47 67646.99 791.06 o
3 6 0 1413.76 1364.02 70.67 o
4 6 0 16740.95 16784.17 236.20 o
5 6 0 6184.63 5957.73 119.17 o
6 6 0 65.56 35.44 47.21 o
7 6 0 2.64 96.97 71.01 o
8 6 0 8660.73 10077.78 317.02 o
1 7 0 49271.91 54072.55 633.72 o
2 7 0 11926.47 12781.06 189.85 o
3 7 0 344.20 283.45 27.69 o
4 7 0 378.52 289.78 30.76 o
5 7 0 1704.35 1510.41 77.40 o
6 7 0 73.21 70.02 51.56 o
7 7 0 3789.94 3790.82 200.85 o
8 7 0 113.76 146.26 96.24 o
0 8 0 2339.12 2238.74 258.68 o
1 8 0 2196.61 2044.23 47.88 o
2 8 0 11801.50 12317.65 174.61 o
3 8 0 51889.24 53684.64 648.34 o
4 8 0 1108.30 919.44 48.11 o
5 8 0 75.47 23.89 34.82 o
6 8 0 118.66 82.15 55.24 o
7 8 0 4455.00 4438.75 298.57 o
8 8 0 566.57 503.23 116.49 o
1 9 0 6207.52 6457.00 102.44 o
2 9 0 17770.33 18549.49 247.58 o
3 9 0 1549.06 1528.86 58.22 o
4 9 0 8517.32 8160.14 142.76 o
5 9 0 303.59 278.21 39.23 o
6 9 0 918.90 950.31 110.28 o
7 9 0 644.92 416.64 94.00 o
8 9 0 343.75 414.59 110.72 o
0 10 0 17331.63 19919.70 750.53 o
1 10 0 634.62 569.25 38.62 o
2 10 0 27819.98 27641.46 353.02 o
3 10 0 2072.71 1787.71 63.28 o
4 10 0 10087.77 10136.52 168.76 o
5 10 0 2175.96 2295.13 107.18 o
6 10 0 48.80 0.17 53.21 o
7 10 0 974.38 970.17 121.07 o
8 10 0 5756.91 6854.77 272.11 o
1 11 0 2728.57 2685.95 71.33 o
2 11 0 9661.23 10063.22 155.58 o
3 11 0 882.25 927.33 70.92 o
4 11 0 8576.52 8553.29 153.20 o
5 11 0 1321.55 1172.97 76.88 o
6 11 0 265.46 253.23 66.19 o
7 11 0 2003.05 2160.14 169.87 o
8 11 0 13.11 -32.32 102.82 o
0 12 0 12157.76 11982.30 347.78 o
1 12 0 354.77 317.19 33.89 o
2 12 0 8087.46 7850.51 132.12 o
3 12 0 16007.32 16242.30 237.03 o
4 12 0 13288.63 13282.40 211.67 o
5 12 0 1222.91 1228.37 80.45 o
6 12 0 5472.07 5466.21 177.27 o
7 12 0 1535.07 1450.10 142.40 o
8 12 0 274.94 269.59 127.60 o
1 13 0 8899.37 9155.62 160.60 o
2 13 0 3214.12 3142.05 79.13 o
3 13 0 997.20 1050.60 57.75 o
4 13 0 620.48 580.83 50.15 o
5 13 0 3005.13 3050.33 157.42 o
6 13 0 201.75 192.75 75.85 o
7 13 0 3066.43 3391.59 204.85 o
0 14 0 5293.62 5186.17 214.55 o
1 14 0 25609.40 27291.99 388.29 o
2 14 0 4598.89 4469.73 109.36 o
3 14 0 579.03 482.46 56.06 o
4 14 0 76.80 105.89 38.54 o
5 14 0 9369.29 9954.56 232.48 o
6 14 0 861.10 692.16 101.11 o
7 14 0 3641.07 3995.18 257.97 o
1 15 0 14.28 36.97 34.12 o
2 15 0 4449.99 4223.28 109.55 o
3 15 0 212.15 170.68 52.56 o
4 15 0 6623.91 6522.91 152.45 o
5 15 0 375.68 272.63 77.11 o
6 15 0 2305.52 2192.16 152.61 o
7 15 0 6.26 -7.46 107.85 o
0 16 0 31465.14 33024.09 834.32 o
1 16 0 5362.28 5189.49 190.67 o
2 16 0 3389.50 3406.21 173.64 o
3 16 0 1067.52 1190.93 85.84 o
4 16 0 9341.22 8894.52 187.48 o
5 16 0 4533.95 4530.86 194.18 o
6 16 0 9538.80 10033.47 293.55 o
7 16 0 524.03 558.76 126.29 o
1 17 0 11242.00 12083.88 247.49 o
2 17 0 488.72 522.34 61.77 o
3 17 0 535.44 432.17 60.23 o
4 17 0 672.25 534.36 66.38 o
5 17 0 1797.87 1693.22 153.13 o
6 17 0 243.86 245.32 101.97 o
7 17 0 1426.55 1283.85 162.69 o
0 18 0 13340.70 13132.53 716.08 o
1 18 0 10260.29 10831.23 236.27 o
2 18 0 2461.60 2389.96 212.90 o
3 18 0 1419.00 1318.56 94.50 o
4 18 0 1549.41 1560.00 112.03 o
5 18 0 5737.73 6385.54 261.27 o
6 18 0 2764.16 3331.64 229.65 o
1 19 0 3159.14 2678.62 130.17 o
2 19 0 2577.57 2606.11 128.40 o
3 19 0 136.43 61.04 51.64 o
4 19 0 3553.19 3772.09 154.22 o
5 19 0 11.39 65.03 90.42 o
6 19 0 119.04 255.57 108.82 o
0 20 0 8321.13 8528.96 340.98 o
1 20 0 3312.01 3528.22 154.77 o
2 20 0 1020.27 815.46 85.10 o
3 20 0 1864.51 1810.97 132.62 o
4 20 0 22.12 -14.58 54.69 o
5 20 0 4022.38 4489.47 260.29 o
6 20 0 2574.47 3197.11 425.15 o
1 21 0 1343.36 1292.47 101.45 o
2 21 0 843.82 768.52 91.81 o
3 21 0 309.74 220.07 67.00 o
4 21 0 1305.97 1299.59 121.49 o
5 21 0 135.71 196.25 105.30 o
0 22 0 2454.35 2615.57 185.55 o
1 22 0 817.22 698.26 128.04 o
2 22 0 3640.41 3621.16 184.87 o
3 22 0 4347.96 4478.73 172.10 o
4 22 0 2713.96 3098.41 184.41 o
5 22 0 1502.71 1261.83 164.22 o
1 23 0 2944.56 2979.32 245.30 o
2 23 0 454.95 358.10 78.58 o
3 23 0 328.49 262.71 76.34 o
4 23 0 520.23 323.62 121.88 o
0 24 0 168.07 129.36 86.18 o
1 24 0 925.83 789.64 96.96 o
2 24 0 5740.70 5955.15 210.92 o
3 24 0 4509.47 4531.05 199.58 o
1 25 0 79.54 92.49 72.10 o
2 25 0 1245.37 1506.11 124.97 o
3 25 0 4.51 -60.00 81.89 o
0 26 0 463.25 490.23 154.98 o
1 26 0 236.59 293.58 79.51 o
-9 0 1 9.16 143.58 159.20 o
-7 0 1 13662.94 14643.14 508.16 o
-5 0 1 719.00 618.28 70.20 o
-3 0 1 12763.41 11572.69 244.58 o
-1 0 1 68999.98 73536.96 1106.83 o
1 0 1 5162.43 4867.55 107.11 o
3 0 1 29285.56 30121.15 573.30 o
5 0 1 7599.22 7511.44 209.75 o
7 0 1 1275.22 1147.32 165.84 o
9 0 1 5630.89 6406.15 716.08 o
-9 1 1 196.54 71.00 108.55 o
-8 1 1 29.27 -23.48 88.25 o
-7 1 1 94.50 63.81 71.49 o
-6 1 1 8294.99 8524.39 239.09 o
-5 1 1 8742.51 8693.71 228.62 o
-4 1 1 542.79 536.28 54.74 o
-3 1 1 2287.30 2032.57 46.93 o
-2 1 1 5639.76 6887.58 97.21 o
-1 1 1 10172.86 10440.33 141.27 o
1 1 1 2180.04 2108.81 36.26 o
2 1 1 723.42 822.42 37.33 o
3 1 1 1972.84 1798.49 52.62 o
4 1 1 5883.14 5362.19 110.00 o
5 1 1 12766.68 13019.30 219.08 o
6 1 1 6494.21 5909.93 196.12 o
7 1 1 29.55 87.66 72.26 o
8 1 1 1.12 72.98 89.19 o
9 1 1 25.66 83.39 108.80 o
-9 2 1 147.56 268.11 116.23 o
-8 2 1 5137.85 5512.31 238.34 o
-7 2 1 4.89 17.99 67.14 o
-6 2 1 5033.58 4538.61 253.29 o
-5 2 1 5523.81 5212.34 201.90 o
-4 2 1 1293.26 1264.95 85.90 o
-3 2 1 5262.41 4765.45 81.16 o
-2 2 1 133884.44 142070.06 1749.39 o
-1 2 1 4558.82 4634.19 65.87 o
0 2 1 2896.52 3156.21 47.35 o
1 2 1 752.17 1080.97 29.12 o
2 2 1 667.90 639.45 30.95 o
3 2 1 130.40 84.01 20.61 o
4 2 1 47411.67 48695.50 645.28 o
5 2 1 641.55 496.06 44.47 o
6 2 1 37.75 73.04 58.44 o
7 2 1 183.26 213.17 76.22 o
8 2 1 2954.81 3157.09 203.04 o
9 2 1 0.99 -19.93 106.23 o
-9 3 1 449.16 449.56 137.31 o
-8 3 1 1925.09 1929.77 163.78 o
-7 3 1 2348.61 2149.55 150.41 o
-6 3 1 5311.96 5248.26 185.23 o
-5 3 1 6567.27 6218.60 127.79 o
-4 3 1 2553.20 2436.64 59.89 o
-3 3 1 2948.37 2831.23 63.83 o
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-1 3 1 29883.54 31547.52 369.89 o
0 3 1 3963.05 4504.02 72.45 o
1 3 1 8328.94 8913.45 116.73 o
2 3 1 15506.30 16046.03 205.26 o
3 3 1 1736.15 1629.63 53.94 o
4 3 1 1115.26 1015.56 51.77 o
5 3 1 5333.88 5134.81 190.40 o
6 3 1 3663.34 3666.01 132.27 o
7 3 1 108.03 138.21 76.22 o
8 3 1 995.03 1162.30 133.95 o
-9 4 1 33.09 -74.92 102.82 o
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-6 4 1 4158.21 4021.47 164.19 o
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-3 4 1 605.88 522.39 29.13 o
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-1 4 1 38117.48 41868.09 488.56 o
0 4 1 19326.71 21376.91 274.41 o
1 4 1 13235.95 14382.94 180.77 o
2 4 1 10986.20 10614.97 145.64 o
3 4 1 20528.73 20406.75 265.76 o
4 4 1 863.31 795.51 56.72 o
5 4 1 2296.74 2176.02 81.00 o
6 4 1 9888.93 10193.43 325.32 o
7 4 1 254.18 385.81 89.05 o
8 4 1 506.38 524.47 109.72 o
-9 5 1 1658.02 1812.73 177.34 o
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-7 5 1 13.53 -0.63 66.14 o
-6 5 1 6107.83 5799.44 168.56 o
-5 5 1 3630.66 3404.54 97.89 o
-4 5 1 5013.31 4873.68 93.38 o
-3 5 1 22330.12 21955.42 283.69 o
-2 5 1 8013.40 7851.43 115.80 o
-1 5 1 5933.91 6143.73 90.30 o
0 5 1 41795.90 48012.37 660.72 o
1 5 1 1725.65 1770.23 40.30 o
2 5 1 19325.96 19649.55 250.17 o
3 5 1 8550.61 7963.64 124.93 o
4 5 1 4943.11 4669.87 97.64 o
5 5 1 3727.50 3492.58 96.26 o
6 5 1 878.52 880.71 78.29 o
7 5 1 2484.00 2369.11 159.46 o
8 5 1 1002.88 1166.21 135.71 o
-8 6 1 784.97 779.33 122.30 o
-7 6 1 126.29 87.87 72.77 o
-6 6 1 766.43 623.23 70.23 o
-5 6 1 13946.50 14300.15 242.32 o
-4 6 1 7890.05 7464.80 136.40 o
-3 6 1 3609.51 3274.02 71.01 o
-2 6 1 7353.07 6914.59 154.14 o
-1 6 1 677.24 789.54 33.35 o
0 6 1 613.45 614.33 30.96 o
1 6 1 16781.47 17521.94 239.68 o
2 6 1 376.07 435.23 28.34 o
3 6 1 29.47 37.64 19.13 o
4 6 1 8915.81 8902.16 145.30 o
5 6 1 1628.59 1561.39 73.40 o
6 6 1 334.67 283.43 60.10 o
7 6 1 7897.26 8440.50 264.20 o
8 6 1 1.08 0.51 84.43 o
-8 7 1 4438.37 4881.60 294.58 o
-7 7 1 911.52 766.88 127.13 o
-6 7 1 1462.20 1134.34 76.23 o
-5 7 1 147.42 140.10 37.14 o
-4 7 1 13896.66 13688.57 202.51 o
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-1 7 1 1237.46 1227.43 39.53 o
0 7 1 11246.72 11175.55 197.89 o
1 7 1 45.69 38.95 16.11 o
2 7 1 32207.62 34130.33 417.97 o
3 7 1 6806.91 6707.27 114.59 o
4 7 1 1969.47 1808.00 62.34 o
5 7 1 1848.38 1691.71 85.50 o
6 7 1 596.58 577.72 72.10 o
7 7 1 623.12 695.95 103.63 o
8 7 1 3257.29 3599.38 219.86 o
-8 8 1 106.58 123.99 93.96 o
-7 8 1 383.46 285.95 85.65 o
-6 8 1 671.90 570.53 61.76 o
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-4 8 1 18976.52 19134.92 267.13 o
-3 8 1 348.98 291.09 28.86 o
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0 8 1 64003.66 70727.40 1088.31 o
1 8 1 11292.55 11883.40 176.37 o
2 8 1 39925.67 41877.22 549.41 o
3 8 1 328.65 300.67 29.40 o
4 8 1 172.56 115.15 25.83 o
5 8 1 171.10 133.16 32.75 o
6 8 1 13128.48 13571.43 286.85 o
7 8 1 672.18 509.38 95.98 o
8 8 1 1534.58 1609.34 156.88 o
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-6 9 1 36.06 75.68 46.14 o
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3 9 1 13501.31 13059.72 193.14 o
4 9 1 10.02 9.19 22.93 o
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6 9 1 9.25 -50.49 50.49 o
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8 9 1 995.95 1056.01 136.71 o
-8 10 1 314.20 392.30 111.46 o
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0 10 1 5685.84 5909.45 195.31 o
1 10 1 54642.34 58649.57 750.84 o
2 10 1 15366.68 15601.66 217.02 o
3 10 1 21.43 12.59 21.30 o
4 10 1 1960.04 2075.18 94.57 o
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8 10 1 423.50 535.03 143.42 o
-8 11 1 2830.32 2626.41 192.97 o
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0 13 1 16552.50 16750.91 416.06 o
1 13 1 9802.49 10628.06 214.99 o
2 13 1 1270.33 1247.33 54.84 o
3 13 1 4452.00 4408.79 100.81 o
4 13 1 3167.65 3090.89 94.09 o
5 13 1 217.98 199.68 59.94 o
6 13 1 1651.71 1715.29 134.73 o
7 13 1 2303.53 2408.23 175.74 o
-7 14 1 1808.93 1790.96 181.62 o
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0 14 1 9128.60 9433.39 218.88 o
1 14 1 5418.46 5022.63 157.67 o
2 14 1 6818.36 6428.33 135.04 o
3 14 1 3039.12 2970.32 94.25 o
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5 14 1 17.99 -56.20 56.20 o
6 14 1 575.68 458.04 118.29 o
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-7 15 1 1433.43 1242.39 203.30 o
-6 15 1 111.92 56.62 77.18 o
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