#------------------------------------------------------------------------------
#$Date: 2021-08-14 05:14:20 +0300 (Sat, 14 Aug 2021) $
#$Revision: 268078 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/43/1564362.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_1564362
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.4146
_cell_length_b                   11.9706
_cell_length_c                   13.7022
_exptl_crystal_F_000             771.16
_reflns_d_resolution_high        0.7911
_cod_data_source_file            wm4151Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' mo_jr02_1_0m_a.res in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            254.70
_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 0 122.61 121.35 42.40 o
4 0 0 10231.55 9595.04 237.58 o
6 0 0 16.38 31.38 36.59 o
8 0 0 2464.89 2377.00 102.76 o
10 0 0 2373.29 2469.26 124.27 o
1 1 0 20897.44 21466.27 207.29 o
2 1 0 2068.99 1884.43 62.03 o
3 1 0 479.18 631.24 34.40 o
4 1 0 830.67 901.88 42.64 o
5 1 0 12927.01 12523.76 130.36 o
6 1 0 840.00 816.13 36.63 o
7 1 0 212.93 254.56 29.53 o
8 1 0 0.90 -4.65 28.06 o
9 1 0 4964.60 5069.47 105.63 o
10 1 0 144.41 180.91 46.53 o
11 1 0 226.99 282.48 53.20 o
0 2 0 64873.96 73094.27 1556.92 o
1 2 0 6656.43 6996.57 79.93 o
2 2 0 47.91 69.47 20.28 o
3 2 0 0.37 17.88 21.07 o
4 2 0 7849.87 7375.96 86.72 o
5 2 0 72.02 96.04 22.88 o
6 2 0 931.97 844.54 37.71 o
7 2 0 106.28 104.13 28.17 o
8 2 0 1625.04 1627.61 57.14 o
9 2 0 10.38 14.77 33.38 o
10 2 0 2764.64 2899.68 103.07 o
11 2 0 191.69 262.81 63.18 o
1 3 0 18295.38 19250.80 224.01 o
2 3 0 5266.91 5748.86 72.09 o
3 3 0 5141.29 4947.08 63.59 o
4 3 0 2891.18 2696.42 49.30 o
5 3 0 7958.72 7750.23 92.67 o
6 3 0 4502.86 4167.42 76.84 o
7 3 0 1144.55 1311.98 54.15 o
8 3 0 32.32 91.40 35.21 o
9 3 0 4449.71 4646.16 101.00 o
10 3 0 1123.29 1113.76 72.52 o
11 3 0 346.89 339.45 69.17 o
0 4 0 15585.41 16501.00 405.64 o
1 4 0 3142.83 3037.75 68.20 o
2 4 0 360.88 354.00 25.38 o
3 4 0 4.48 25.54 18.79 o
4 4 0 16302.54 17018.02 164.27 o
5 4 0 1510.12 1425.73 41.95 o
6 4 0 2093.68 1916.68 55.92 o
7 4 0 860.17 992.72 48.06 o
8 4 0 1346.44 1407.76 57.81 o
9 4 0 95.21 49.39 43.79 o
10 4 0 532.41 564.75 61.05 o
11 4 0 1170.89 1069.87 90.32 o
1 5 0 10555.88 10420.20 118.51 o
2 5 0 326.01 327.21 24.56 o
3 5 0 4764.80 4817.37 72.56 o
4 5 0 246.22 230.37 23.58 o
5 5 0 6245.99 6285.88 94.84 o
6 5 0 5030.28 4998.10 88.39 o
7 5 0 127.01 124.96 32.74 o
8 5 0 30.60 23.18 33.92 o
9 5 0 2512.88 2642.96 97.81 o
10 5 0 921.70 894.66 71.88 o
11 5 0 16.08 -40.32 59.89 o
0 6 0 6807.14 7167.75 166.16 o
1 6 0 1271.43 1339.39 54.30 o
2 6 0 1301.64 1183.54 43.68 o
3 6 0 2648.70 2673.38 51.35 o
4 6 0 10425.95 10590.09 128.47 o
5 6 0 400.14 381.82 34.89 o
6 6 0 3416.27 3423.82 98.55 o
7 6 0 2620.19 2680.89 75.69 o
8 6 0 4715.76 4769.07 100.71 o
9 6 0 3.82 17.04 46.29 o
10 6 0 22.60 -47.81 47.81 o
1 7 0 2072.71 1906.82 63.79 o
2 7 0 3011.85 2840.25 80.28 o
3 7 0 4932.82 4729.78 85.75 o
4 7 0 237.84 248.88 33.00 o
5 7 0 3150.34 3185.43 69.32 o
6 7 0 2201.51 2137.16 68.37 o
7 7 0 288.66 296.82 42.29 o
8 7 0 431.55 436.18 57.12 o
9 7 0 1519.10 1539.49 105.39 o
10 7 0 929.45 991.37 78.64 o
0 8 0 1247.37 1454.50 93.21 o
1 8 0 1787.67 1842.74 57.69 o
2 8 0 787.03 825.00 42.34 o
3 8 0 2440.39 2412.15 66.82 o
4 8 0 5748.60 5765.11 92.03 o
5 8 0 585.77 538.73 45.37 o
6 8 0 305.68 278.21 42.78 o
7 8 0 5128.82 5342.31 116.82 o
8 8 0 3270.33 3251.74 95.16 o
9 8 0 673.36 535.41 80.36 o
10 8 0 12.96 -9.86 52.33 o
1 9 0 1963.56 1934.94 64.10 o
2 9 0 4770.17 4566.16 86.67 o
3 9 0 990.22 1080.07 46.28 o
4 9 0 1077.90 1023.04 57.14 o
5 9 0 1559.00 1570.80 81.00 o
6 9 0 1901.46 1935.57 77.44 o
7 9 0 74.38 39.02 42.97 o
8 9 0 545.67 535.85 59.13 o
9 9 0 951.19 1042.22 134.19 o
0 10 0 585.01 673.50 61.26 o
1 10 0 14.22 14.33 31.69 o
2 10 0 1102.27 1197.50 54.14 o
3 10 0 2303.28 2305.89 74.15 o
4 10 0 2123.71 1955.82 64.19 o
5 10 0 581.34 582.09 51.93 o
6 10 0 82.75 142.92 43.75 o
7 10 0 3985.00 4114.63 112.74 o
8 10 0 484.56 525.94 61.61 o
1 11 0 2889.79 2920.81 84.65 o
2 11 0 7398.84 7412.22 124.77 o
3 11 0 10.60 -34.21 34.21 o
4 11 0 242.39 283.61 41.29 o
5 11 0 1550.45 1601.15 92.85 o
6 11 0 2040.63 1954.88 85.45 o
7 11 0 550.85 616.39 62.14 o
8 11 0 297.39 281.21 59.97 o
0 12 0 1719.71 1930.33 138.01 o
1 12 0 134.09 148.09 40.57 o
2 12 0 17.25 21.47 32.22 o
3 12 0 3729.15 3619.09 98.91 o
4 12 0 251.15 290.46 43.40 o
5 12 0 558.52 643.85 59.53 o
6 12 0 145.56 159.88 56.93 o
7 12 0 2443.91 2423.99 116.64 o
1 13 0 43.41 2.35 38.48 o
2 13 0 4258.67 4361.58 127.74 o
3 13 0 44.10 40.42 51.53 o
4 13 0 2.56 -2.45 51.77 o
5 13 0 937.52 955.72 79.48 o
6 13 0 1633.18 1636.74 120.32 o
0 14 0 1238.22 1437.85 122.60 o
1 14 0 1112.91 1246.80 82.19 o
2 14 0 206.35 293.44 69.12 o
3 14 0 1365.68 1403.08 85.01 o
4 14 0 50.57 58.05 71.09 o
1 15 0 71.53 149.51 65.21 o
1 0 1 21942.82 22969.56 285.26 o
2 0 1 2343.58 2367.77 92.47 o
3 0 1 2514.70 2390.80 74.80 o
4 0 1 580.28 537.78 33.46 o
5 0 1 8867.43 9119.96 113.01 o
6 0 1 1669.49 1665.50 61.19 o
7 0 1 7433.70 7344.58 99.08 o
8 0 1 248.74 267.01 33.99 o
9 0 1 140.56 145.96 40.59 o
10 0 1 22.31 48.50 41.99 o
11 0 1 3117.26 3135.48 114.92 o
-11 1 1 230.12 197.63 76.87 o
-10 1 1 4532.41 4386.22 120.15 o
-9 1 1 583.26 621.21 51.31 o
-8 1 1 1401.40 1401.97 53.36 o
-7 1 1 1264.33 1245.97 43.96 o
-6 1 1 17857.91 17861.27 178.04 o
-5 1 1 243.22 242.52 25.40 o
-4 1 1 5435.62 5528.95 84.07 o
-3 1 1 982.33 1108.60 57.87 o
-2 1 1 2974.25 2818.87 118.79 o
-1 1 1 2765.99 2853.03 34.52 o
0 1 1 64.52 -5.16 36.19 o
1 1 1 2791.74 2800.65 69.81 o
2 1 1 3238.65 3265.98 69.73 o
3 1 1 897.79 981.30 39.28 o
4 1 1 5341.10 5504.47 84.36 o
5 1 1 209.41 194.87 24.09 o
6 1 1 17879.89 17790.57 178.32 o
7 1 1 1268.63 1307.20 52.20 o
8 1 1 1365.92 1457.06 59.70 o
9 1 1 572.84 643.26 50.62 o
10 1 1 4591.16 4407.85 106.18 o
11 1 1 220.62 196.42 50.58 o
-11 2 1 3524.09 3690.10 122.26 o
-10 2 1 236.08 264.74 55.07 o
-9 2 1 124.06 121.17 44.76 o
-8 2 1 518.09 508.46 42.13 o
-7 2 1 6609.33 6398.82 101.35 o
-6 2 1 156.34 158.64 30.18 o
-5 2 1 4115.26 4059.44 94.44 o
-4 2 1 659.57 680.18 42.14 o
-3 2 1 11646.16 11359.98 125.85 o
-2 2 1 12132.14 12553.44 121.23 o
-1 2 1 12485.68 13795.98 158.55 o
0 2 1 1070.49 1273.28 78.22 o
1 2 1 12292.72 13500.66 184.57 o
2 2 1 11874.48 12421.50 132.83 o
3 2 1 11469.34 11312.17 129.29 o
4 2 1 679.27 692.64 28.43 o
5 2 1 4106.00 4022.18 65.57 o
6 2 1 142.42 141.15 25.71 o
7 2 1 6682.22 6522.30 99.26 o
8 2 1 511.68 525.28 39.70 o
9 2 1 125.06 114.99 36.00 o
10 2 1 202.67 250.73 58.46 o
11 2 1 3572.10 3765.84 150.56 o
-11 3 1 244.23 268.77 60.39 o
-10 3 1 3178.04 3223.47 107.10 o
-9 3 1 400.38 464.80 48.12 o
-8 3 1 2235.28 2120.60 71.08 o
-7 3 1 27.29 5.61 29.50 o
-6 3 1 11489.81 11512.31 142.03 o
-5 3 1 3935.74 3625.81 60.03 o
-4 3 1 1630.32 1609.78 53.61 o
-3 3 1 122.20 111.17 17.07 o
-2 3 1 16758.88 17079.99 181.86 o
-1 3 1 1368.04 1326.49 40.17 o
0 3 1 281.86 312.51 40.55 o
1 3 1 1374.41 1407.29 45.42 o
2 3 1 16981.79 17202.18 165.73 o
3 3 1 91.54 116.48 21.23 o
4 3 1 1624.11 1546.62 40.97 o
5 3 1 3941.09 3708.08 65.87 o
6 3 1 11370.95 11416.11 127.76 o
7 3 1 27.78 52.39 29.89 o
8 3 1 2239.52 2162.54 83.91 o
9 3 1 448.82 602.61 55.21 o
10 3 1 3135.86 3020.74 285.93 o
11 3 1 254.99 176.81 63.75 o
-11 4 1 2393.53 2389.81 121.77 o
-10 4 1 871.24 994.30 82.73 o
-9 4 1 392.65 412.29 48.24 o
-8 4 1 199.93 191.52 38.14 o
-7 4 1 5035.51 5018.95 82.76 o
-6 4 1 284.33 321.06 26.16 o
-5 4 1 4262.95 4316.66 61.89 o
-4 4 1 1718.70 1625.08 34.18 o
-3 4 1 10016.50 10014.44 98.20 o
-2 4 1 1687.81 1729.28 44.84 o
-1 4 1 4758.92 4896.91 71.69 o
0 4 1 26563.89 28291.16 376.29 o
1 4 1 4887.93 5048.97 75.49 o
2 4 1 1733.41 1767.92 46.10 o
3 4 1 10040.65 9943.65 95.90 o
4 4 1 1650.68 1604.08 40.91 o
5 4 1 4223.77 4271.48 65.42 o
6 4 1 311.52 391.57 33.36 o
7 4 1 5080.69 4944.20 89.24 o
8 4 1 202.29 196.27 36.17 o
9 4 1 406.49 310.70 50.36 o
10 4 1 851.41 914.01 81.82 o
11 4 1 2408.67 2652.03 122.44 o
-11 5 1 159.21 148.72 68.08 o
-10 5 1 1748.86 1772.63 89.71 o
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6 5 1 4915.16 4813.85 87.46 o
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8 5 1 1386.65 1386.87 60.47 o
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11 5 1 162.78 123.60 63.67 o
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-1 6 1 1244.32 1428.94 62.96 o
0 6 1 11102.24 11684.48 146.09 o
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2 6 1 1134.42 1272.48 52.51 o
3 6 1 4865.18 4499.94 61.13 o
4 6 1 3533.47 3570.98 61.80 o
5 6 1 2032.70 2053.86 56.15 o
6 6 1 197.70 217.42 34.27 o
7 6 1 6250.33 6421.14 109.90 o
8 6 1 564.87 556.53 60.90 o
9 6 1 919.67 883.73 67.33 o
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-10 7 1 717.83 725.67 72.68 o
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-8 7 1 955.92 1024.12 60.05 o
-7 7 1 290.21 346.06 42.93 o
-6 7 1 1374.27 1510.25 72.60 o
-5 7 1 1433.01 1434.74 59.81 o
-4 7 1 197.07 241.79 27.54 o
-3 7 1 1279.18 1310.43 51.74 o
-2 7 1 9520.97 9247.27 138.64 o
-1 7 1 5074.54 5259.40 128.82 o
0 7 1 196.98 276.20 32.40 o
1 7 1 5012.45 5077.93 101.13 o
2 7 1 9403.94 9095.14 143.93 o
3 7 1 1264.38 1279.89 41.62 o
4 7 1 217.79 220.98 32.97 o
5 7 1 1378.53 1352.24 47.33 o
6 7 1 1317.95 1404.69 58.13 o
7 7 1 277.63 314.92 41.77 o
8 7 1 1003.53 974.80 58.97 o
9 7 1 1382.33 1519.86 82.42 o
10 7 1 718.16 805.59 74.72 o
-10 8 1 183.28 184.44 59.58 o
-9 8 1 263.26 203.10 62.08 o
-8 8 1 1983.18 2112.42 87.59 o
-7 8 1 2821.56 2975.29 128.40 o
-6 8 1 1258.41 1272.54 55.45 o
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-3 8 1 5409.63 5396.12 85.41 o
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-1 8 1 1845.68 1828.21 64.55 o
0 8 1 5747.18 5755.77 122.84 o
1 8 1 1850.48 1837.41 76.11 o
2 8 1 675.21 745.14 50.68 o
3 8 1 5354.26 5425.43 89.45 o
4 8 1 2375.58 2522.07 102.50 o
5 8 1 1017.85 1023.72 54.98 o
6 8 1 1287.37 1371.65 64.82 o
7 8 1 2814.69 2833.24 84.45 o
8 8 1 2019.44 1964.28 78.56 o
9 8 1 264.91 322.11 60.78 o
10 8 1 194.81 140.95 57.56 o
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0 9 1 906.36 1103.50 54.28 o
1 9 1 9228.18 9352.65 160.71 o
2 9 1 5165.78 5373.72 97.62 o
3 9 1 1836.93 1864.68 59.67 o
4 9 1 39.14 54.94 33.20 o
5 9 1 1028.49 1058.80 58.98 o
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7 9 1 191.51 287.43 48.56 o
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9 9 1 1549.42 1554.87 96.53 o
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0 11 1 178.67 201.14 55.92 o
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11 0 2 326.69 292.27 59.95 o
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1 1 2 32312.29 34036.35 540.62 o
2 1 2 311.74 356.58 26.14 o
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6 1 2 608.22 612.25 34.01 o
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9 1 2 4631.73 4650.30 101.51 o
10 1 2 453.44 465.05 55.00 o
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