#------------------------------------------------------------------------------
#$Date: 2019-10-25 07:24:28 +0300 (Fri, 25 Oct 2019) $
#$Revision: 219513 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/24/1552478.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_1552478
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.5647
_cell_length_b                   11.5956
_cell_length_c                   15.6161
_exptl_crystal_F_000             1568.00
_reflns_d_resolution_high        0.8037
_cod_data_source_file            wm4114Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' exp_582_a.res in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            577.49
_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 23765.89 24741.29 469.97 o
4 0 0 10632.42 11005.22 431.74 o
6 0 0 20120.98 21127.90 839.49 o
8 0 0 212424.00 206337.05 5544.86 o
10 0 0 2054.65 2123.60 179.64 o
1 1 0 212366.97 200353.83 3330.90 o
2 1 0 171.39 206.97 26.61 o
3 1 0 7076.99 7817.87 169.87 o
4 1 0 1096.20 1268.24 71.62 o
5 1 0 9431.16 9845.30 327.17 o
6 1 0 3061.75 3156.87 236.54 o
7 1 0 123665.07 121461.69 1832.27 o
8 1 0 409.26 443.41 64.52 o
9 1 0 27464.12 28018.71 900.64 o
10 1 0 723.97 697.55 89.31 o
11 1 0 946.64 1037.15 98.45 o
0 2 0 75187.30 76832.08 1955.56 o
1 2 0 5288.58 5280.52 108.23 o
2 2 0 35057.25 35100.57 594.10 o
3 2 0 42747.36 44270.81 1130.00 o
4 2 0 4429.36 4736.44 161.87 o
5 2 0 2689.53 2989.05 143.29 o
6 2 0 6767.11 6519.20 282.98 o
7 2 0 2688.56 2770.65 129.43 o
8 2 0 22176.94 22574.90 503.43 o
9 2 0 2782.73 2884.19 146.15 o
10 2 0 11393.58 12126.66 349.42 o
11 2 0 208.18 240.99 72.67 o
1 3 0 32240.06 32091.28 471.91 o
2 3 0 19793.40 20189.54 345.91 o
3 3 0 63713.38 63883.91 1623.16 o
4 3 0 7004.88 7317.86 232.43 o
5 3 0 99432.78 99896.03 1703.65 o
6 3 0 13864.55 13668.13 448.70 o
7 3 0 12823.83 13114.13 258.11 o
8 3 0 9.45 120.98 56.45 o
9 3 0 23130.67 23905.51 570.08 o
10 3 0 349.19 322.55 66.36 o
11 3 0 10234.01 10497.29 384.60 o
0 4 0 221939.14 211804.70 3733.93 o
1 4 0 28788.03 29375.38 525.01 o
2 4 0 194526.12 185031.97 2125.29 o
3 4 0 711.99 819.68 60.21 o
4 4 0 34.95 121.14 46.29 o
5 4 0 3222.43 3437.36 177.02 o
6 4 0 105749.12 104685.84 1164.68 o
7 4 0 2753.95 3058.08 111.98 o
8 4 0 31665.62 32296.83 569.05 o
9 4 0 6400.70 6953.28 232.63 o
10 4 0 60170.81 61641.96 1314.75 o
11 4 0 4.26 84.30 57.78 o
1 5 0 66640.70 64161.93 880.81 o
2 5 0 23409.68 23585.80 403.48 o
3 5 0 48912.98 47738.91 1109.86 o
4 5 0 2573.78 2368.73 129.70 o
5 5 0 46562.61 44813.66 972.72 o
6 5 0 10708.36 10726.35 216.92 o
7 5 0 18418.37 18754.76 312.00 o
8 5 0 3232.29 3360.72 136.61 o
9 5 0 29108.55 29771.20 508.80 o
10 5 0 4126.71 4223.26 164.67 o
11 5 0 9224.92 9183.32 576.34 o
0 6 0 1461.23 1424.16 116.49 o
1 6 0 17830.42 17526.19 379.81 o
2 6 0 18300.63 18190.60 443.60 o
3 6 0 180.81 256.81 49.06 o
4 6 0 308.29 548.83 83.96 o
5 6 0 323.20 395.61 46.24 o
6 6 0 1693.34 1934.42 86.52 o
7 6 0 5096.83 5201.84 176.95 o
8 6 0 795.21 801.65 70.03 o
9 6 0 9276.63 9849.24 226.19 o
10 6 0 7692.99 7458.89 287.86 o
1 7 0 47430.85 44073.95 817.68 o
2 7 0 1718.90 1675.65 115.98 o
3 7 0 549.15 582.30 97.97 o
4 7 0 46967.02 45978.82 545.43 o
5 7 0 19.82 107.46 35.79 o
6 7 0 1152.86 1126.08 73.71 o
7 7 0 32893.07 33485.26 577.76 o
8 7 0 1988.37 1994.51 101.96 o
9 7 0 11720.49 12345.98 355.82 o
10 7 0 449.07 478.17 78.04 o
0 8 0 165325.44 155215.69 3795.14 o
1 8 0 5402.98 4987.67 163.07 o
2 8 0 28697.00 28069.52 381.07 o
3 8 0 33495.88 33534.89 448.42 o
4 8 0 559.19 646.04 58.61 o
5 8 0 9696.74 10000.95 205.25 o
6 8 0 24065.36 24858.40 437.70 o
7 8 0 5026.66 5108.93 181.58 o
8 8 0 77277.62 79458.70 1544.22 o
9 8 0 5148.09 5493.30 274.87 o
1 9 0 36442.05 36365.46 505.69 o
2 9 0 115.60 198.56 40.86 o
3 9 0 633.04 603.43 53.18 o
4 9 0 43536.14 44225.69 673.10 o
5 9 0 3282.40 3528.41 138.27 o
6 9 0 3229.69 3178.73 132.51 o
7 9 0 37096.09 39176.65 633.21 o
8 9 0 652.67 739.76 72.75 o
9 9 0 16107.48 15976.02 489.11 o
0 10 0 4083.55 4321.33 219.04 o
1 10 0 18936.52 18796.55 339.79 o
2 10 0 888.76 985.15 76.36 o
3 10 0 11505.80 11672.19 256.57 o
4 10 0 84.34 151.80 49.51 o
5 10 0 5060.25 5047.19 177.85 o
6 10 0 196.64 301.50 50.53 o
7 10 0 6160.95 6580.55 211.31 o
8 10 0 4197.22 4381.96 146.16 o
1 11 0 6826.27 6953.28 222.54 o
2 11 0 15878.88 16509.10 372.32 o
3 11 0 2264.72 2388.48 112.21 o
4 11 0 2150.78 2272.80 108.02 o
5 11 0 2227.21 2242.79 107.30 o
6 11 0 22309.51 22112.22 532.66 o
7 11 0 6156.38 6014.65 196.19 o
0 12 0 40879.47 42309.64 1041.67 o
1 12 0 23047.97 23530.60 474.23 o
2 12 0 18739.04 19337.09 399.99 o
3 12 0 2675.52 2860.25 115.01 o
4 12 0 128.86 232.60 47.74 o
5 12 0 5824.82 5727.08 171.06 o
6 12 0 9980.93 9654.13 248.73 o
1 13 0 18796.52 20122.30 407.47 o
2 13 0 17016.32 16982.71 353.72 o
3 13 0 688.77 773.00 76.69 o
4 13 0 91.75 121.45 48.82 o
5 13 0 743.70 798.56 101.12 o
0 14 0 4429.86 4170.20 304.42 o
1 14 0 8734.59 8420.45 240.19 o
2 14 0 67.95 126.26 42.68 o
1 0 1 2236.75 2585.33 63.86 o
2 0 1 18647.94 18809.37 285.10 o
3 0 1 236484.62 224093.80 2678.45 o
4 0 1 111779.25 109373.22 1526.55 o
5 0 1 121845.38 122955.27 2726.22 o
6 0 1 15373.20 16050.23 474.73 o
7 0 1 2582.97 2774.11 121.77 o
8 0 1 852.27 985.13 86.91 o
9 0 1 3259.31 3258.90 193.82 o
10 0 1 6089.53 6062.15 242.83 o
11 0 1 61599.20 63999.77 2036.54 o
-11 1 1 15558.65 15666.11 422.60 o
-10 1 1 2664.16 2718.70 143.58 o
-9 1 1 1034.54 1176.18 122.31 o
-8 1 1 2929.90 2849.55 125.09 o
-7 1 1 155.27 266.68 47.91 o
-6 1 1 63.64 130.63 63.90 o
-5 1 1 32935.00 33231.09 809.82 o
-4 1 1 216838.47 210534.39 3307.26 o
-3 1 1 61896.73 61834.27 824.59 o
-2 1 1 8455.42 8472.33 140.18 o
-1 1 1 1019.19 1212.70 46.25 o
0 1 1 4611.98 4991.80 77.42 o
1 1 1 1014.22 1123.25 44.56 o
2 1 1 8422.46 8681.52 224.56 o
3 1 1 61933.60 63315.05 1058.81 o
4 1 1 216527.66 214862.55 3947.68 o
5 1 1 32887.97 33509.23 661.40 o
6 1 1 68.11 99.05 66.69 o
7 1 1 158.99 246.41 56.96 o
8 1 1 2871.41 2940.77 130.12 o
9 1 1 1035.43 999.47 100.56 o
10 1 1 2644.90 2798.49 173.74 o
11 1 1 15476.71 16275.29 415.49 o
-11 2 1 8948.13 8690.62 339.11 o
-10 2 1 4248.49 4158.38 194.91 o
-9 2 1 12340.06 12449.97 314.66 o
-8 2 1 893.97 933.41 69.37 o
-7 2 1 11194.84 11121.97 228.97 o
-6 2 1 5360.63 5795.65 262.96 o
-5 2 1 2529.18 2905.65 163.66 o
-4 2 1 15282.14 15562.57 288.40 o
-3 2 1 6208.25 6235.28 157.04 o
-2 2 1 11235.63 11465.56 192.27 o
-1 2 1 44796.41 45876.30 638.64 o
0 2 1 2170.29 2441.92 77.77 o
1 2 1 44681.64 45908.52 1059.92 o
2 2 1 11274.08 11176.88 232.14 o
3 2 1 6113.52 6413.05 185.57 o
4 2 1 15194.76 15661.47 354.53 o
5 2 1 2499.89 2546.45 126.01 o
6 2 1 5413.78 5392.73 218.29 o
7 2 1 11273.59 11768.91 266.41 o
8 2 1 889.69 1000.43 82.59 o
9 2 1 12396.67 12656.04 417.60 o
10 2 1 4234.94 4509.56 218.56 o
11 2 1 8974.25 9203.81 290.01 o
-11 3 1 3291.76 3250.31 149.24 o
-10 3 1 12030.96 12983.30 332.05 o
-9 3 1 7648.70 7582.67 262.15 o
-8 3 1 2775.93 2695.68 125.91 o
-7 3 1 10498.58 10325.19 211.74 o
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-3 3 1 20312.26 20457.72 331.33 o
-2 3 1 89109.06 87108.56 1152.70 o
-1 3 1 41538.87 40806.76 552.71 o
0 3 1 42.98 173.69 16.57 o
1 3 1 41407.62 41211.77 709.65 o
2 3 1 89684.02 90248.77 2660.31 o
3 3 1 20425.90 20510.69 414.57 o
4 3 1 4208.75 4126.50 155.04 o
5 3 1 21761.24 21987.25 504.44 o
6 3 1 61772.41 63045.39 1421.74 o
7 3 1 10484.92 10492.64 243.00 o
8 3 1 2720.98 2753.42 142.17 o
9 3 1 7619.78 7967.27 320.16 o
10 3 1 12087.04 13065.63 387.86 o
11 3 1 3286.88 3572.02 160.52 o
-11 4 1 8591.84 7997.88 280.26 o
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-6 4 1 49022.02 48444.26 767.33 o
-5 4 1 55897.88 55726.95 1118.11 o
-4 4 1 25615.11 25062.14 570.27 o
-3 4 1 53245.93 52187.38 954.19 o
-2 4 1 52732.88 52033.37 631.01 o
-1 4 1 106982.81 104557.86 1312.02 o
0 4 1 6522.55 6993.47 196.88 o
1 4 1 107614.24 104588.40 1358.82 o
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3 4 1 53266.09 52381.67 1075.73 o
4 4 1 25578.10 24693.35 569.78 o
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9 4 1 30116.73 31276.02 610.30 o
10 4 1 16455.14 16936.43 389.55 o
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2 6 1 13088.33 12575.59 343.41 o
3 6 1 4017.81 3878.70 158.07 o
4 6 1 705.56 702.50 89.50 o
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10 6 1 2642.96 2861.22 129.42 o
-10 7 1 1967.32 2000.80 158.85 o
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-8 7 1 2954.65 2842.81 127.43 o
-7 7 1 13477.99 13437.65 286.06 o
-6 7 1 1077.22 1063.14 83.26 o
-5 7 1 16807.27 16689.32 271.22 o
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0 7 1 11028.84 10265.40 283.65 o
1 7 1 16165.54 15579.54 409.01 o
2 7 1 4119.90 4105.96 184.90 o
3 7 1 21809.39 21567.29 620.84 o
4 7 1 53889.48 51609.58 618.34 o
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6 7 1 1076.60 1125.54 90.91 o
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8 7 1 2979.92 3064.19 157.52 o
9 7 1 1838.96 2007.26 109.83 o
10 7 1 1972.95 1825.47 127.42 o
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2 8 1 14468.09 13890.35 232.47 o
3 8 1 61242.50 59396.46 705.21 o
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