#------------------------------------------------------------------------------
#$Date: 2019-10-25 07:02:53 +0300 (Fri, 25 Oct 2019) $
#$Revision: 219511 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/17/2021797.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_2021797
_cell_angle_alpha                90.000
_cell_angle_beta                 114.210
_cell_angle_gamma                90.000
_cell_length_a                   16.6866
_cell_length_b                   4.5071
_cell_length_c                   13.9328
_exptl_crystal_F_000             615.73
_reflns_d_resolution_high        0.8003
_cod_data_source_file            yo3064Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            223.54
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 8529.12 9637.94 137.58 o
4 0 0 37149.05 38768.40 391.29 o
6 0 0 5778.28 6122.86 139.74 o
8 0 0 11787.35 12380.37 323.20 o
10 0 0 4747.92 4642.80 220.66 o
12 0 0 2886.08 2827.89 189.19 o
14 0 0 2352.82 2128.94 179.24 o
16 0 0 567.85 575.95 93.69 o
18 0 0 674.18 559.28 108.12 o
1 1 0 39997.41 42091.16 348.58 o
3 1 0 18968.53 19401.32 283.43 o
5 1 0 688.83 579.06 44.17 o
7 1 0 3925.39 4390.45 202.00 o
9 1 0 10179.12 9665.93 328.43 o
11 1 0 9128.49 5698.59 77.43 o
13 1 0 3269.96 3065.50 139.60 o
15 1 0 475.21 351.53 51.77 o
17 1 0 140.11 176.74 37.11 o
0 2 0 36531.73 30659.79 174.27 o
2 2 0 17485.54 16305.12 309.94 o
4 2 0 2474.69 2155.16 142.83 o
6 2 0 834.41 926.84 64.10 o
8 2 0 6453.34 6721.87 197.87 o
10 2 0 4777.69 4469.74 143.54 o
12 2 0 1509.40 1636.45 142.49 o
14 2 0 1854.65 1934.85 99.69 o
16 2 0 109.93 153.40 35.05 o
1 3 0 12321.23 12061.40 145.49 o
3 3 0 4285.75 4299.23 289.86 o
5 3 0 1041.62 1098.78 92.43 o
7 3 0 177.48 126.26 16.49 o
9 3 0 1951.57 2039.79 72.81 o
11 3 0 821.79 978.80 85.40 o
13 3 0 710.77 879.11 89.26 o
15 3 0 3.86 31.34 25.52 o
0 4 0 1438.77 1357.08 127.97 o
2 4 0 2042.44 2120.92 216.45 o
4 4 0 4.06 36.12 33.31 o
6 4 0 27.44 57.44 18.81 o
8 4 0 1166.14 1115.50 98.92 o
10 4 0 915.85 907.91 82.53 o
12 4 0 327.73 462.69 65.63 o
1 5 0 898.28 1051.39 92.06 o
3 5 0 114.23 104.58 30.97 o
5 5 0 212.59 317.67 77.03 o
7 5 0 39.46 53.52 45.02 o
-19 1 1 0.59 16.11 20.12 o
-17 1 1 1.49 27.30 17.38 o
-15 1 1 441.41 386.86 43.34 o
-13 1 1 7.86 -8.24 10.57 o
-11 1 1 1071.53 896.31 42.03 o
-9 1 1 55.36 41.57 14.19 o
-7 1 1 54.96 79.21 13.71 o
-5 1 1 404.90 383.73 23.27 o
-3 1 1 808.45 716.90 17.39 o
-1 1 1 1208.69 1087.92 48.75 o
1 1 1 37.10 17.26 11.08 o
3 1 1 77.27 114.03 27.20 o
5 1 1 792.19 932.06 89.64 o
7 1 1 25.25 41.77 32.96 o
9 1 1 1678.44 1699.49 64.69 o
11 1 1 35.31 37.20 36.15 o
13 1 1 557.04 545.37 103.33 o
15 1 1 160.99 199.52 64.32 o
17 1 1 1.02 6.07 14.67 o
-18 2 1 13.71 29.91 24.53 o
-16 2 1 2.25 52.30 20.77 o
-14 2 1 960.93 959.74 67.41 o
-12 2 1 64.43 58.05 15.47 o
-10 2 1 765.69 687.72 45.89 o
-8 2 1 5.57 4.24 10.95 o
-6 2 1 548.86 462.64 36.47 o
-4 2 1 1389.74 1374.63 57.89 o
-2 2 1 3236.05 3271.72 73.63 o
0 2 1 616.07 561.74 56.91 o
2 2 1 1726.36 1609.56 101.91 o
4 2 1 472.87 475.05 64.18 o
6 2 1 848.33 832.05 93.64 o
8 2 1 337.20 400.34 73.76 o
10 2 1 2004.21 1956.08 176.57 o
12 2 1 5.85 1.05 12.88 o
14 2 1 117.52 128.07 36.18 o
16 2 1 30.10 20.44 17.46 o
-15 3 1 353.70 436.15 67.72 o
-13 3 1 101.20 149.27 63.63 o
-11 3 1 707.67 658.04 75.58 o
-9 3 1 26.71 24.84 10.57 o
-7 3 1 204.38 220.60 30.75 o
-5 3 1 1083.83 979.60 59.31 o
-3 3 1 1818.31 1758.68 158.53 o
-1 3 1 4697.80 4428.60 173.62 o
1 3 1 277.46 241.97 45.86 o
3 3 1 156.27 159.68 44.57 o
5 3 1 62.78 70.93 38.31 o
7 3 1 1324.82 1167.18 105.64 o
9 3 1 684.19 802.88 57.18 o
11 3 1 158.58 205.12 63.95 o
13 3 1 271.00 254.11 74.54 o
15 3 1 144.14 129.97 37.48 o
-12 4 1 758.59 873.46 85.95 o
-10 4 1 61.33 90.30 28.24 o
-8 4 1 236.69 188.64 31.76 o
-6 4 1 171.10 253.88 36.45 o
-4 4 1 1018.09 1050.46 115.74 o
-2 4 1 312.84 397.16 52.01 o
0 4 1 1265.76 1290.00 89.92 o
2 4 1 11.53 31.43 17.13 o
4 4 1 190.94 164.30 28.21 o
6 4 1 418.55 328.41 41.69 o
8 4 1 1132.41 1128.83 141.25 o
10 4 1 532.41 734.98 75.47 o
12 4 1 246.63 344.86 62.39 o
-9 5 1 179.58 224.52 61.12 o
-7 5 1 369.00 480.49 94.86 o
-5 5 1 107.43 157.74 42.00 o
-3 5 1 723.57 1008.50 108.95 o
-1 5 1 916.50 1209.97 101.97 o
1 5 1 171.48 229.05 42.19 o
3 5 1 20.16 29.09 18.85 o
5 5 1 2.16 34.92 33.52 o
7 5 1 620.66 771.80 126.21 o
-18 0 2 311.05 282.53 66.57 o
-16 0 2 5366.80 4782.07 247.53 o
-14 0 2 1597.37 1376.78 120.48 o
-12 0 2 6405.43 6620.87 213.86 o
-10 0 2 185.99 455.09 74.63 o
-8 0 2 6449.89 6894.09 118.23 o
-6 0 2 30161.03 32165.52 166.38 o
-4 0 2 39095.84 40082.59 159.83 o
-2 0 2 49972.27 57588.27 422.99 o
0 0 2 100.18 1401.37 40.43 o
2 0 2 695.07 1700.84 77.08 o
4 0 2 18755.52 19838.42 192.49 o
6 0 2 26255.45 24882.52 455.90 o
8 0 2 14447.42 13033.76 379.26 o
10 0 2 1286.74 1217.77 131.54 o
12 0 2 271.77 231.60 67.71 o
14 0 2 2732.16 2939.76 236.82 o
16 0 2 1409.24 1236.71 165.37 o
-19 1 2 330.79 331.75 48.06 o
-17 1 2 1509.39 1413.12 86.98 o
-15 1 2 7828.71 7256.38 209.27 o
-13 1 2 4749.18 4581.83 197.82 o
-11 1 2 1972.69 1872.67 58.47 o
-9 1 2 1042.97 1878.87 73.59 o
-7 1 2 14381.63 14704.40 139.54 o
-5 1 2 14686.11 15115.23 100.83 o
-3 1 2 2054.99 2167.26 65.03 o
-1 1 2 28187.96 28851.02 188.42 o
1 1 2 20370.06 25564.24 333.95 o
3 1 2 17832.53 20946.30 378.82 o
5 1 2 21960.23 25003.67 489.42 o
7 1 2 37811.89 41883.18 357.84 o
9 1 2 7009.73 6003.82 561.59 o
11 1 2 1021.90 962.14 129.73 o
13 1 2 41.58 167.51 66.71 o
15 1 2 1501.91 1531.35 186.56 o
17 1 2 759.34 1052.29 366.29 o
-18 2 2 467.06 440.26 54.56 o
-16 2 2 2378.31 2308.42 113.01 o
-14 2 2 2721.64 2644.47 108.29 o
-12 2 2 1962.25 1919.71 83.66 o
-10 2 2 934.30 914.62 51.61 o
-8 2 2 4544.73 4886.69 103.25 o
-6 2 2 5422.75 5085.17 91.02 o
-4 2 2 12242.84 11924.28 107.34 o
-2 2 2 13160.27 12781.20 149.33 o
0 2 2 71.25 402.37 22.09 o
2 2 2 2941.26 3357.07 153.75 o
4 2 2 8666.25 8333.88 270.44 o
6 2 2 19113.81 20190.58 477.59 o
8 2 2 6845.72 6642.32 311.18 o
10 2 2 1683.61 1776.29 174.19 o
12 2 2 134.78 230.23 71.08 o
14 2 2 637.57 595.36 118.14 o
16 2 2 882.20 1408.82 360.26 o
-15 3 2 1845.58 1970.40 145.95 o
-13 3 2 263.01 268.89 45.96 o
-11 3 2 627.36 533.27 43.59 o
-9 3 2 66.75 180.56 22.06 o
-7 3 2 4936.05 5084.39 148.89 o
-5 3 2 3157.23 3147.77 159.12 o
-3 3 2 8307.02 8172.66 146.32 o
-1 3 2 1409.68 1175.75 101.60 o
1 3 2 47.17 331.85 56.04 o
3 3 2 3696.68 3320.43 184.74 o
5 3 2 2478.59 2001.28 240.77 o
7 3 2 5106.27 5162.21 128.22 o
9 3 2 1721.95 1756.17 178.24 o
11 3 2 5.62 33.60 23.89 o
13 3 2 2.61 -3.80 28.12 o
-14 4 2 965.26 1108.90 102.35 o
-12 4 2 166.03 109.53 52.42 o
-10 4 2 571.42 459.64 56.85 o
-8 4 2 290.51 438.39 52.58 o
-6 4 2 486.26 540.85 51.02 o
-4 4 2 606.74 532.74 59.31 o
-2 4 2 683.04 663.92 66.30 o
0 4 2 1.34 17.77 20.17 o
2 4 2 1422.83 1255.78 124.35 o
4 4 2 797.42 620.93 94.28 o
6 4 2 3742.75 3708.97 246.38 o
8 4 2 898.09 1087.15 147.73 o
10 4 2 452.76 676.76 127.14 o
12 4 2 42.50 98.86 32.87 o
-9 5 2 4.98 9.70 29.47 o
-7 5 2 247.43 395.05 125.92 o
-5 5 2 278.24 396.21 63.25 o
-3 5 2 301.61 432.03 61.35 o
-1 5 2 224.86 261.16 47.63 o
1 5 2 43.66 -5.65 16.78 o
3 5 2 98.88 74.57 39.97 o
5 5 2 230.37 244.85 67.82 o
7 5 2 446.15 468.40 98.76 o
-19 1 3 19.20 34.96 16.32 o
-17 1 3 81.20 90.53 24.68 o
-15 1 3 177.32 143.18 24.84 o
-13 1 3 0.18 -3.25 10.14 o
-11 1 3 9.65 8.07 7.63 o
-9 1 3 293.82 232.20 17.15 o
-7 1 3 752.01 617.96 22.06 o
-5 1 3 20.94 38.00 5.07 o
-3 1 3 4833.57 4398.21 57.20 o
-1 1 3 7444.89 7369.53 164.19 o
1 1 3 2237.43 2061.23 71.39 o
3 1 3 3490.31 4580.00 194.95 o
5 1 3 569.50 578.54 45.88 o
7 1 3 59.52 79.13 46.93 o
9 1 3 286.18 215.38 22.12 o
11 1 3 107.28 49.04 37.87 o
13 1 3 26.95 81.90 53.64 o
15 1 3 17.95 26.74 42.88 o
-18 2 3 88.19 132.54 32.63 o
-16 2 3 572.24 557.49 53.92 o
-14 2 3 2.03 -12.47 12.47 o
-12 2 3 69.48 33.58 13.83 o
-10 2 3 346.29 302.50 28.60 o
-8 2 3 1123.51 1035.57 53.01 o
-6 2 3 1754.88 1609.90 49.42 o
-4 2 3 266.48 226.83 17.25 o
-2 2 3 1476.79 1347.41 52.58 o
0 2 3 1053.22 920.27 41.94 o
2 2 3 1008.35 965.14 89.15 o
4 2 3 1253.54 1175.69 109.67 o
6 2 3 902.01 1063.20 119.28 o
8 2 3 625.95 732.69 113.05 o
10 2 3 262.69 223.52 63.82 o
12 2 3 59.79 46.16 44.00 o
14 2 3 625.13 730.22 137.20 o
16 2 3 48.84 102.48 248.37 o
-17 3 3 197.00 240.27 72.29 o
-15 3 3 141.41 171.37 37.41 o
-13 3 3 68.08 33.74 24.57 o
-11 3 3 186.37 170.25 22.01 o
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-7 3 3 1672.23 1739.20 89.06 o
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-3 3 3 753.02 648.29 32.19 o
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1 3 3 60.58 40.33 43.68 o
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5 3 3 983.96 898.27 109.87 o
7 3 3 285.16 379.24 80.60 o
9 3 3 114.31 137.38 60.72 o
11 3 3 109.37 140.28 59.67 o
13 3 3 302.34 376.44 103.12 o
-14 4 3 95.69 88.28 29.80 o
-12 4 3 11.74 5.08 59.82 o
-10 4 3 6.00 -22.35 22.35 o
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-6 4 3 425.77 474.73 79.27 o
-4 4 3 198.15 245.39 40.44 o
-2 4 3 206.91 207.86 38.02 o
0 4 3 595.33 556.91 85.30 o
2 4 3 1032.64 942.73 114.00 o
4 4 3 540.49 606.01 96.30 o
6 4 3 1801.19 2014.22 188.46 o
8 4 3 43.55 118.83 59.32 o
10 4 3 23.73 30.38 38.06 o
-9 5 3 230.66 229.99 66.61 o
-7 5 3 271.30 384.65 62.41 o
-5 5 3 1017.55 1310.78 139.67 o
-3 5 3 4.78 12.82 17.38 o
-1 5 3 181.99 134.17 32.61 o
1 5 3 294.50 287.54 48.36 o
3 5 3 140.89 199.66 60.39 o
5 5 3 320.51 508.55 100.84 o
-20 0 4 950.82 1078.50 137.57 o
-18 0 4 1773.41 1913.59 168.16 o
-16 0 4 750.02 830.18 103.78 o
-14 0 4 18.86 52.63 32.75 o
-12 0 4 9368.49 9406.59 294.29 o
-10 0 4 10555.12 9834.00 140.82 o
-8 0 4 49164.16 49033.98 289.57 o
-6 0 4 22647.12 22015.81 164.40 o
-4 0 4 2131.24 2515.66 80.33 o
-2 0 4 2873.41 3403.82 60.72 o
0 0 4 21566.70 23037.17 187.41 o
2 0 4 13828.29 13191.66 137.79 o
4 0 4 3408.83 3311.08 104.87 o
6 0 4 3404.05 3300.47 126.44 o
8 0 4 5749.57 6359.17 294.29 o
10 0 4 3881.91 3446.69 244.33 o
12 0 4 7336.35 7231.34 370.28 o
14 0 4 3455.50 3172.28 267.13 o
16 0 4 1180.94 1080.59 168.39 o
-19 1 4 1859.54 1896.45 126.98 o
-17 1 4 4402.21 4779.44 223.76 o
-15 1 4 7.67 8.60 19.52 o
-13 1 4 16.10 63.80 13.66 o
-11 1 4 5518.60 5471.25 104.16 o
-9 1 4 20020.46 19576.17 151.42 o
-7 1 4 8667.63 8013.66 89.87 o
-5 1 4 4156.77 4143.06 55.88 o
-3 1 4 758.86 1402.33 47.77 o
-1 1 4 28728.98 32161.16 231.57 o
1 1 4 18700.59 20403.24 201.07 o
3 1 4 14452.67 15925.13 245.77 o
5 1 4 10836.84 12242.71 293.50 o
7 1 4 7.49 141.43 19.94 o
9 1 4 3295.60 3275.51 153.01 o
11 1 4 1420.01 1668.53 186.14 o
13 1 4 5647.22 6230.31 378.68 o
15 1 4 858.82 920.90 156.78 o
-18 2 4 994.18 1010.60 96.04 o
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-14 2 4 180.69 166.85 26.02 o
-12 2 4 1189.93 1188.51 63.21 o
-10 2 4 6194.19 5795.66 126.58 o
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0 2 4 10022.29 8858.40 148.81 o
2 2 4 10291.50 9315.91 282.45 o
4 2 4 4768.77 5120.65 239.56 o
6 2 4 838.13 925.64 116.92 o
8 2 4 466.06 518.95 95.28 o
10 2 4 3226.80 3352.97 260.26 o
12 2 4 1866.83 1868.50 201.60 o
14 2 4 2145.02 2236.58 235.33 o
-17 3 4 390.43 433.17 92.52 o
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-13 3 4 863.70 1024.51 86.44 o
-11 3 4 598.00 468.42 54.76 o
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13 3 4 1329.52 1382.82 193.45 o
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-10 4 4 1034.57 1196.15 90.12 o
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-2 4 4 420.26 372.16 51.01 o
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10 4 4 447.91 357.10 96.88 o
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7 3 5 306.63 315.30 78.58 o
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11 3 5 185.05 209.77 80.83 o
-14 4 5 5.59 -8.36 22.96 o
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-8 4 5 39.36 32.00 10.86 o
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0 4 5 1524.65 1466.46 141.50 o
2 4 5 482.55 537.07 89.69 o
4 4 5 434.28 456.06 87.69 o
6 4 5 13.53 3.75 27.26 o
8 4 5 99.01 76.68 47.03 o
-9 5 5 465.85 591.42 151.09 o
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-5 1 15 3.37 -35.13 35.13 o
-3 1 15 35.75 -41.71 41.71 o
-1 1 15 16.32 -3.14 18.55 o
1 1 15 78.60 92.87 32.99 o
-14 2 15 12.13 29.42 39.84 o
-12 2 15 291.00 325.68 95.91 o
-10 2 15 13.39 10.85 29.71 o
-8 2 15 321.96 366.97 93.15 o
-6 2 15 45.45 85.79 59.01 o
-4 2 15 32.62 67.86 49.97 o
-2 2 15 301.23 380.38 65.20 o
-14 0 16 1151.73 1209.68 167.00 o
-12 0 16 1138.76 1133.96 158.84 o
-10 0 16 1069.33 899.34 142.26 o
-8 0 16 248.63 304.30 83.01 o
-6 0 16 24.82 63.43 42.80 o
-4 0 16 2620.56 2751.14 247.54 o
-2 0 16 844.08 1070.96 155.48 o
-13 1 16 1803.29 2124.57 224.52 o
-11 1 16 314.91 128.32 58.05 o
-9 1 16 2.14 -16.53 30.42 o
-7 1 16 41.53 68.59 42.38 o
-5 1 16 1587.03 1627.73 191.82 o
-3 1 16 2061.70 1878.84 209.46 o
-10 2 16 67.84 105.16 47.29 o
-8 2 16 0.01 -22.15 36.60 o
-6 2 16 456.62 587.65 127.72 o
-9 1 17 3.29 -27.24 40.21 o
-7 1 17 53.35 89.19 55.62 o