#------------------------------------------------------------------------------
#$Date: 2016-11-08 04:01:22 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188020 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/06/2020663.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_2020663
_cell_angle_alpha                90.000
_cell_angle_beta                 90.240
_cell_angle_gamma                90.000
_cell_length_a                   13.4679
_cell_length_b                   7.6319
_cell_length_c                   19.1397
_exptl_crystal_F_000             1800.00
_reflns_d_resolution_high        0.7696
_cod_data_source_file            yo3024Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' 52k5_trans'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1154.22
_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 35239.42 38954.70 285.87 o
4 0 0 32191.04 35076.41 295.68 o
6 0 0 91721.26 97547.34 799.33 o
8 0 0 66678.38 66385.89 597.01 o
10 0 0 5914.29 6216.70 208.31 o
12 0 0 134697.42 133681.73 1518.98 o
14 0 0 9249.37 10045.46 645.94 o
16 0 0 394.00 191.21 407.05 o
1 1 0 44197.48 47263.43 318.32 o
2 1 0 9.64 -25.78 25.78 o
3 1 0 2759.16 2733.09 66.50 o
4 1 0 129.40 140.86 36.61 o
5 1 0 5602.09 6442.10 131.95 o
6 1 0 40367.12 39390.10 242.61 o
7 1 0 43161.60 44822.78 315.02 o
8 1 0 429.88 481.76 65.53 o
9 1 0 8501.45 9691.63 277.26 o
10 1 0 8296.77 8158.69 184.44 o
11 1 0 211.28 187.71 103.39 o
12 1 0 75.83 203.35 129.05 o
13 1 0 41359.61 41202.58 634.93 o
14 1 0 5218.70 5205.34 267.17 o
15 1 0 7031.17 7046.88 309.05 o
16 1 0 1229.42 1256.76 293.27 o
17 1 0 502.20 789.49 310.48 o
0 2 0 13401.39 12971.79 144.37 o
1 2 0 1291.67 1426.88 86.57 o
2 2 0 58861.15 60911.48 427.08 o
3 2 0 102015.23 102324.62 693.55 o
4 2 0 16201.10 16785.73 138.98 o
5 2 0 82.83 122.28 48.96 o
6 2 0 564718.00 566500.38 3372.98 o
7 2 0 200.32 198.38 67.42 o
8 2 0 10723.63 11637.94 176.70 o
9 2 0 5503.89 5489.77 169.01 o
10 2 0 12839.65 13136.47 334.35 o
11 2 0 5128.86 5003.39 173.69 o
12 2 0 80667.91 80107.40 947.65 o
13 2 0 665.75 710.09 201.54 o
14 2 0 12608.93 13500.10 510.28 o
15 2 0 39.58 127.13 209.91 o
16 2 0 14814.67 15128.38 469.07 o
17 2 0 1135.94 1753.09 292.97 o
1 3 0 11710.72 12200.37 114.86 o
2 3 0 1605.52 1775.82 88.35 o
3 3 0 142668.09 143040.42 961.95 o
4 3 0 552.21 633.71 68.93 o
5 3 0 15957.38 16506.58 172.42 o
6 3 0 18283.89 17329.55 225.75 o
7 3 0 25403.96 26263.09 274.48 o
8 3 0 3775.90 3846.54 177.54 o
9 3 0 7233.57 7949.97 335.56 o
10 3 0 691.29 629.27 117.30 o
11 3 0 7862.00 8260.85 267.45 o
12 3 0 443.25 589.14 155.10 o
13 3 0 3432.18 3325.68 233.47 o
14 3 0 1.81 360.70 195.74 o
15 3 0 1957.57 1721.05 244.73 o
16 3 0 1192.00 1283.74 335.73 o
0 4 0 241225.58 237043.27 2360.04 o
1 4 0 1186.02 1371.42 62.32 o
2 4 0 13030.53 13778.45 138.60 o
3 4 0 174619.66 168348.70 1130.45 o
4 4 0 62704.28 60182.82 464.03 o
5 4 0 4137.06 4156.26 133.12 o
6 4 0 25843.96 25233.50 230.70 o
7 4 0 114.84 72.92 65.94 o
8 4 0 16740.10 17200.22 235.39 o
9 4 0 4145.06 4186.76 163.09 o
10 4 0 22806.12 22838.36 326.22 o
11 4 0 1340.95 1182.04 140.84 o
12 4 0 28429.29 28960.69 416.83 o
13 4 0 296.19 555.51 160.01 o
14 4 0 5969.71 6237.58 615.91 o
15 4 0 1663.88 1443.79 237.57 o
16 4 0 5370.02 5224.87 317.62 o
1 5 0 8403.93 8773.95 159.25 o
2 5 0 6028.55 5887.81 121.82 o
3 5 0 52985.48 50859.10 370.13 o
4 5 0 122.44 151.35 81.38 o
5 5 0 4200.59 4774.12 155.23 o
6 5 0 189.25 216.80 69.00 o
7 5 0 2427.01 2594.25 151.73 o
8 5 0 1920.63 1848.85 110.24 o
9 5 0 103801.73 102875.21 843.44 o
10 5 0 989.06 1135.82 229.72 o
11 5 0 33.64 117.06 129.67 o
12 5 0 1096.74 1190.46 220.83 o
13 5 0 15463.07 15569.26 431.80 o
14 5 0 672.32 626.00 210.03 o
15 5 0 45172.72 44324.61 776.71 o
0 6 0 47925.25 47658.60 604.65 o
1 6 0 1055.85 977.19 103.37 o
2 6 0 33886.42 33262.18 311.09 o
3 6 0 95405.35 93195.27 638.67 o
4 6 0 6077.14 6178.91 197.91 o
5 6 0 2417.55 2479.27 98.42 o
6 6 0 3932.36 5788.86 431.43 o
7 6 0 144.75 241.43 88.20 o
8 6 0 15035.31 14633.09 232.23 o
9 6 0 5510.59 5816.43 182.23 o
10 6 0 16414.91 16320.34 298.39 o
11 6 0 780.10 694.40 141.23 o
12 6 0 8674.12 8410.45 269.79 o
13 6 0 896.94 1026.07 174.18 o
1 7 0 9155.95 8718.00 212.39 o
2 7 0 9592.70 9390.42 233.64 o
3 7 0 133051.75 130605.13 931.62 o
4 7 0 264.78 245.02 102.78 o
5 7 0 1412.15 1431.91 111.96 o
6 7 0 3039.96 3132.96 157.79 o
7 7 0 10846.70 11003.92 265.94 o
8 7 0 34.86 11.08 132.19 o
9 7 0 36025.48 35502.41 498.62 o
10 7 0 733.54 836.79 166.45 o
11 7 0 9787.36 9575.96 388.00 o
12 7 0 829.34 868.68 195.51 o
0 8 0 16842.80 16727.96 332.81 o
1 8 0 5994.21 5912.98 151.50 o
2 8 0 1384.88 1325.14 146.87 o
3 8 0 16903.89 16399.98 526.50 o
4 8 0 16821.74 16877.71 286.59 o
5 8 0 425.39 514.32 131.26 o
6 8 0 26228.04 25586.47 420.46 o
7 8 0 525.92 580.18 155.97 o
8 8 0 247.01 -42.51 158.44 o
9 8 0 3761.86 3978.52 237.32 o
10 8 0 8407.12 8717.96 307.63 o
1 9 0 3869.73 4335.98 241.77 o
2 9 0 250.66 266.09 138.47 o
3 9 0 42006.94 42204.87 496.19 o
4 9 0 1203.41 1277.14 222.60 o
5 9 0 25219.04 25273.89 548.10 o
6 9 0 1557.33 1698.86 264.40 o
7 9 0 2452.21 2507.77 208.41 o
-17 0 1 6479.37 6981.41 730.76 o
-15 0 1 2260.88 2385.41 443.68 o
-13 0 1 53551.49 53450.47 790.19 o
-11 0 1 4650.41 5009.79 424.18 o
-9 0 1 966.34 1033.18 123.79 o
-7 0 1 64697.18 64740.56 645.84 o
-5 0 1 2578.06 2582.93 99.04 o
-3 0 1 51.59 -43.07 43.07 o
-1 0 1 0.71 -21.75 38.96 o
1 0 1 157.48 180.47 20.74 o
3 0 1 1750.98 1608.30 56.71 o
5 0 1 51609.61 50030.75 435.23 o
7 0 1 6565.06 6237.76 150.47 o
9 0 1 5261.54 4997.43 183.95 o
11 0 1 107898.98 108365.64 1252.74 o
13 0 1 6220.07 6686.93 330.85 o
15 0 1 336.26 155.01 304.08 o
17 0 1 13293.49 13714.88 900.41 o
-17 1 1 227.68 374.44 313.16 o
-16 1 1 563.11 834.40 587.29 o
-15 1 1 2181.67 2438.14 242.46 o
-14 1 1 71.76 51.82 188.54 o
-13 1 1 904.81 1213.88 175.86 o
-12 1 1 313.90 201.74 130.49 o
-11 1 1 461.20 520.64 108.50 o
-10 1 1 229.02 177.06 111.65 o
-9 1 1 241.38 215.50 86.08 o
-8 1 1 610.60 545.88 78.93 o
-7 1 1 185254.92 184728.44 1154.40 o
-6 1 1 71.54 16.20 48.89 o
-5 1 1 0.20 202.87 46.65 o
-4 1 1 20896.42 20986.86 164.57 o
-3 1 1 2378.95 2471.85 55.74 o
-2 1 1 138.96 154.32 39.21 o
-1 1 1 1.54 134.34 40.27 o
0 1 1 40.91 38.18 17.99 o
1 1 1 166.32 447.31 78.60 o
2 1 1 5.41 -29.05 29.05 o
3 1 1 3254.53 3310.71 48.85 o
4 1 1 1246.30 1216.01 55.73 o
5 1 1 21772.16 22891.68 226.70 o
6 1 1 575.91 581.64 52.75 o
7 1 1 115.15 383.39 60.68 o
8 1 1 15277.44 14455.77 162.38 o
9 1 1 5855.90 5777.50 164.17 o
10 1 1 54.25 33.90 78.20 o
11 1 1 29294.96 29605.85 330.59 o
12 1 1 1207.74 1134.55 155.07 o
13 1 1 817.46 805.28 165.18 o
14 1 1 2515.31 2552.77 219.36 o
15 1 1 1.65 -15.85 206.19 o
16 1 1 866.08 613.49 396.73 o
17 1 1 2709.47 2454.23 343.36 o
-17 2 1 49.43 -262.56 301.36 o
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-15 2 1 909.73 672.19 230.88 o
-14 2 1 2287.45 2370.52 232.32 o
-13 2 1 37742.46 38537.73 896.55 o
-12 2 1 2471.65 2476.22 240.47 o
-11 2 1 171.15 259.51 117.97 o
-10 2 1 95120.20 96930.48 731.60 o
-9 2 1 246.52 145.99 85.10 o
-8 2 1 279.83 354.88 73.63 o
-7 2 1 39397.36 37896.24 302.66 o
-5 2 1 5295.65 5299.82 101.52 o
-4 2 1 20627.09 21874.17 159.89 o
-3 2 1 301.90 246.45 35.13 o
-2 2 1 963.58 1033.91 46.02 o
-1 2 1 0.18 -32.37 32.37 o
0 2 1 1245.59 1250.68 45.24 o
1 2 1 273.18 243.00 41.78 o
2 2 1 81014.00 81633.98 612.44 o
3 2 1 2729.91 2871.11 74.49 o
4 2 1 137.46 215.53 63.28 o
5 2 1 14615.42 14306.35 184.56 o
6 2 1 5905.79 5461.68 102.13 o
7 2 1 234.02 277.19 63.47 o
8 2 1 1533.95 1842.25 113.53 o
9 2 1 1597.37 1671.82 87.59 o
10 2 1 752.90 868.55 110.63 o
11 2 1 63998.30 61858.38 576.13 o
12 2 1 124.71 294.90 131.98 o
13 2 1 27.18 -170.48 170.48 o
14 2 1 41109.26 43079.03 637.65 o
15 2 1 443.75 536.65 222.09 o
16 2 1 194.27 406.64 241.45 o
17 2 1 10554.25 10400.16 466.85 o
-16 3 1 0.47 110.88 237.38 o
-15 3 1 144.47 298.86 219.44 o
-14 3 1 607.44 512.32 207.56 o
-13 3 1 34360.28 34736.58 545.05 o
-12 3 1 3325.74 3037.08 179.56 o
-11 3 1 7288.92 7321.63 344.60 o
-10 3 1 24002.26 23179.76 332.09 o
-9 3 1 985.29 1204.41 152.31 o
-8 3 1 566.73 507.17 98.50 o
-7 3 1 455.80 723.55 89.38 o
-6 3 1 2544.89 2702.55 92.61 o
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1 3 1 1263.48 1390.82 67.53 o
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2 4 1 42189.00 41908.93 398.97 o
3 4 1 1642.31 1676.47 90.66 o
4 4 1 289.13 301.81 73.71 o
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6 4 1 1339.18 1497.14 105.72 o
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8 4 1 172040.95 169364.38 1253.61 o
9 4 1 138.67 131.03 94.61 o
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13 4 1 2857.28 2885.86 220.73 o
14 4 1 8344.02 8919.17 321.23 o
15 4 1 1766.28 1606.96 240.65 o
-15 5 1 11.82 172.64 230.73 o
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-13 5 1 2974.34 3450.68 204.63 o
-12 5 1 1532.15 1579.55 165.50 o
-11 5 1 1612.71 1623.97 153.39 o
-10 5 1 26493.59 25630.31 360.13 o
-9 5 1 131.10 233.63 127.60 o
-8 5 1 286.92 211.34 98.20 o
-7 5 1 28584.38 27982.12 306.99 o
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-5 5 1 2044.46 2189.82 90.82 o
-4 5 1 43965.32 42043.02 346.99 o
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1 5 1 1978.63 2115.23 82.09 o
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3 5 1 601.04 480.21 86.22 o
4 5 1 34.76 12.92 77.09 o
5 5 1 21852.67 21245.08 264.72 o
6 5 1 356.90 297.48 106.31 o
7 5 1 12225.32 11635.96 260.67 o
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9 5 1 11660.35 11236.38 220.58 o
10 5 1 278.38 221.65 114.82 o
11 5 1 22644.16 22855.01 490.10 o
12 5 1 314.84 220.30 143.32 o
13 5 1 8881.10 9025.94 274.38 o
14 5 1 382.58 144.62 200.85 o
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