#------------------------------------------------------------------------------
#$Date: 2021-07-21 08:40:00 +0300 (Wed, 21 Jul 2021) $
#$Revision: 267671 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/42/1564220.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_1564220
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.5823
_cell_length_b                   9.5823
_cell_length_c                   8.0380
_exptl_crystal_F_000             792.00
_reflns_d_resolution_high        0.7851
_cod_data_source_file            wm4148Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' 2_a.res in I-4'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            277.31
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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
1 1 0 474.33 831.64 62.79 o
0 2 0 738.93 1210.95 52.36 o
2 2 0 47287.57 58819.13 284.18 o
-1 3 0 1426.62 2483.55 142.91 o
1 3 0 22026.21 24219.23 288.27 o
3 3 0 1783.89 2487.31 425.42 o
-2 4 0 27203.04 26750.49 236.82 o
0 4 0 31765.43 31857.79 649.58 o
2 4 0 33516.02 43624.06 274.39 o
4 4 0 1435.65 1490.51 97.61 o
-3 5 0 1077.01 916.98 147.81 o
-1 5 0 5944.72 5533.90 87.28 o
1 5 0 75591.79 68947.93 480.31 o
3 5 0 32655.89 30466.84 952.50 o
5 5 0 616.60 412.13 238.02 o
-4 6 0 76900.87 79168.70 1624.50 o
-2 6 0 611.07 602.26 63.82 o
0 6 0 22379.43 20517.41 208.83 o
2 6 0 19599.31 18049.03 286.80 o
4 6 0 20658.67 19728.25 247.03 o
6 6 0 1889.62 2445.52 232.74 o
-5 7 0 539.11 605.85 138.25 o
-3 7 0 2.19 -52.54 89.78 o
-1 7 0 1407.93 1492.46 86.37 o
1 7 0 8534.69 9070.99 159.71 o
3 7 0 2127.67 2130.30 114.75 o
5 7 0 389.23 262.58 111.15 o
7 7 0 2073.35 2341.31 237.17 o
-4 8 0 646.43 738.17 109.38 o
-2 8 0 23546.92 24537.01 658.67 o
0 8 0 13000.39 12706.70 194.15 o
2 8 0 1040.21 1213.67 102.61 o
4 8 0 14916.40 16469.69 654.03 o
6 8 0 4494.98 5236.96 665.87 o
8 8 0 2518.08 2537.84 125.49 o
-5 9 0 227.42 180.47 284.18 o
-3 9 0 3402.11 3461.89 104.38 o
-1 9 0 910.22 893.42 119.34 o
1 9 0 42.68 -27.22 84.80 o
3 9 0 120.29 108.27 131.97 o
5 9 0 2187.98 2014.70 163.46 o
7 9 0 5098.17 5141.75 211.50 o
-6 10 0 4974.47 5514.04 261.32 o
-4 10 0 5541.28 6153.54 545.46 o
-2 10 0 5784.50 5936.40 312.32 o
0 10 0 942.92 1179.38 137.04 o
2 10 0 22216.34 23617.12 319.74 o
4 10 0 905.25 970.02 135.63 o
6 10 0 6487.99 5676.55 195.17 o
-5 11 0 310.66 338.90 161.69 o
-3 11 0 4226.66 4975.16 244.99 o
-1 11 0 4266.75 4038.58 345.43 o
1 11 0 1008.55 1038.92 154.71 o
3 11 0 39.13 -8.98 116.78 o
5 11 0 286.61 202.52 133.11 o
0 12 0 4913.43 3450.70 149.44 o
1 0 1 6267.95 7661.58 116.78 o
3 0 1 33357.20 38661.65 507.49 o
5 0 1 6091.02 5563.79 87.66 o
7 0 1 9271.02 9183.76 199.06 o
9 0 1 7357.28 7280.77 179.25 o
11 0 1 2966.07 2546.88 203.75 o
-12 1 1 5706.72 6066.89 112.69 o
-10 1 1 936.72 789.21 207.68 o
-8 1 1 10078.27 10494.23 276.80 o
-6 1 1 3129.86 3142.96 86.63 o
-4 1 1 30054.10 30437.05 142.45 o
-2 1 1 32551.16 42241.61 263.77 o
0 1 1 7257.47 9210.54 117.59 o
2 1 1 66067.42 81077.25 477.68 o
4 1 1 3803.98 5031.85 422.56 o
6 1 1 21837.92 20338.46 124.40 o
8 1 1 4090.63 3999.22 120.52 o
10 1 1 5441.90 5292.00 378.09 o
-11 2 1 892.03 661.38 177.21 o
-9 2 1 2345.58 2341.43 123.51 o
-7 2 1 20611.28 18173.46 222.32 o
-5 2 1 11251.17 10668.53 148.33 o
-3 2 1 4766.59 6597.00 351.15 o
-1 2 1 57472.49 71426.26 164.53 o
1 2 1 41654.91 56714.80 214.73 o
3 2 1 8091.38 8309.08 176.39 o
5 2 1 19005.61 16649.07 216.93 o
7 2 1 18598.74 18227.86 221.83 o
9 2 1 1460.97 1368.86 93.27 o
11 2 1 3291.13 2930.08 140.19 o
-10 3 1 1138.80 1321.94 294.80 o
-8 3 1 11346.71 11727.37 200.03 o
-6 3 1 3586.26 3313.93 86.44 o
-4 3 1 30985.06 31266.64 1578.36 o
-2 3 1 9444.50 11151.22 509.94 o
0 3 1 30902.98 33636.04 344.16 o
2 3 1 1117.72 1655.12 183.74 o
4 3 1 23877.00 22628.66 546.57 o
6 3 1 4235.16 3854.84 143.76 o
8 3 1 4539.48 4665.66 180.47 o
10 3 1 5133.45 5676.55 336.45 o
-11 4 1 4416.47 4128.37 153.93 o
-9 4 1 4589.75 3872.38 205.65 o
-7 4 1 453.12 285.42 101.27 o
-5 4 1 17180.34 18119.29 322.93 o
-3 4 1 19693.62 18249.31 964.48 o
-1 4 1 5699.09 6764.13 95.45 o
1 4 1 27855.15 31956.75 296.43 o
3 4 1 31307.91 26521.54 536.47 o
5 4 1 945.56 1016.39 106.09 o
7 4 1 1995.25 1818.63 151.73 o
9 4 1 8278.08 8327.34 148.79 o
11 4 1 523.21 703.84 170.67 o
-10 5 1 4952.44 4906.01 164.55 o
-8 5 1 963.07 803.77 91.67 o
-6 5 1 16091.88 17749.94 361.62 o
-4 5 1 522.10 503.82 131.63 o
-2 5 1 16909.48 14761.21 326.84 o
0 5 1 8967.55 7656.81 162.40 o
2 5 1 13819.18 12172.94 129.55 o
4 5 1 14636.41 13174.57 195.61 o
6 5 1 3863.59 5133.58 271.12 o
8 5 1 12721.90 14401.05 172.22 o
10 5 1 343.58 405.86 267.85 o
-9 6 1 1863.28 1702.19 125.06 o
-7 6 1 8185.84 7858.21 178.67 o
-5 6 1 2203.12 2307.24 96.82 o
-3 6 1 7471.84 6694.24 481.76 o
-1 6 1 21720.47 19685.76 759.37 o
1 6 1 1111.62 1061.04 74.25 o
3 6 1 8103.75 7920.90 132.70 o
5 6 1 13883.27 12624.49 224.57 o
7 6 1 5259.42 4956.09 314.36 o
9 6 1 662.75 867.17 267.03 o
-8 7 1 5113.01 4987.05 329.91 o
-6 7 1 3251.67 3248.58 130.48 o
-4 7 1 3786.69 3986.70 151.34 o
-2 7 1 22967.01 22626.46 461.65 o
0 7 1 5023.39 4926.70 145.43 o
2 7 1 21372.61 19872.14 577.21 o
4 7 1 1910.12 1401.99 107.70 o
6 7 1 6961.44 6796.08 289.83 o
8 7 1 190.20 367.84 166.68 o
-7 8 1 1043.55 800.20 256.42 o
-5 8 1 11318.29 12581.27 280.31 o
-3 8 1 7256.18 7435.93 115.82 o
-1 8 1 1855.24 1883.77 132.11 o
1 8 1 10549.27 10985.70 124.23 o
3 8 1 8763.85 8393.22 158.59 o
5 8 1 2138.16 2341.63 275.07 o
7 8 1 4662.32 5220.64 308.64 o
-6 9 1 1759.85 1756.38 325.83 o
-4 9 1 6651.87 6391.19 130.39 o
-2 9 1 293.01 327.50 86.74 o
0 9 1 8474.66 9093.22 149.83 o
2 9 1 1087.57 1088.73 156.35 o
4 9 1 3670.14 4398.71 363.39 o
6 9 1 3179.07 3280.02 261.32 o
-5 10 1 1174.99 1145.63 292.35 o
-3 10 1 3775.14 3957.75 217.16 o
-1 10 1 6458.72 6511.05 247.87 o
1 10 1 370.79 497.24 269.48 o
3 10 1 1610.45 1562.84 313.58 o
5 10 1 5459.36 5359.70 240.09 o
-4 11 1 1112.46 1274.58 189.46 o
-2 11 1 3822.09 4210.67 240.09 o
2 11 1 1894.14 1442.11 144.99 o
4 11 1 5197.89 4826.53 188.64 o
-1 12 1 1426.98 1253.34 148.62 o
0 0 2 1045.96 947.88 59.23 o
2 0 2 6651.82 8179.24 177.21 o
4 0 2 23581.65 25076.59 325.83 o
6 0 2 13752.44 12922.74 176.11 o
8 0 2 675.26 662.48 140.75 o
10 0 2 1541.80 1574.27 276.02 o
-11 1 2 4383.02 3417.22 197.62 o
-9 1 2 10366.20 10349.21 212.18 o
-7 1 2 7968.46 8514.05 236.00 o
-5 1 2 11282.61 10782.04 161.31 o
-3 1 2 22148.36 24941.26 343.75 o
-1 1 2 73937.92 80519.72 100.16 o
1 1 2 49932.06 56825.53 609.11 o
3 1 2 62509.15 70298.80 406.68 o
5 1 2 25177.60 23717.19 402.68 o
7 1 2 17159.00 17605.47 377.07 o
9 1 2 4008.44 4395.10 108.56 o
-10 2 2 127.51 12.62 149.86 o
-8 2 2 1034.01 1052.19 393.16 o
-6 2 2 19473.70 18508.77 276.48 o
-4 2 2 30201.79 28605.49 749.50 o
-2 2 2 6799.08 6058.22 218.00 o
0 2 2 6957.99 7630.55 143.72 o
2 2 2 7489.47 6641.99 122.61 o
4 2 2 477.32 404.07 88.54 o
6 2 2 1947.81 2174.10 98.22 o
8 2 2 545.67 556.14 161.30 o
10 2 2 4056.26 3402.47 344.57 o
-11 3 2 8268.85 8056.63 382.14 o
-9 3 2 11366.66 9682.11 315.71 o
-7 3 2 11751.29 12087.80 615.72 o
-5 3 2 17380.21 17158.29 518.88 o
-3 3 2 33150.99 32978.87 544.02 o
-1 3 2 59687.74 56868.51 509.94 o
1 3 2 28850.20 33308.09 279.28 o
3 3 2 34541.72 35117.55 367.48 o
5 3 2 19840.54 17215.39 278.97 o
7 3 2 29341.75 29795.57 427.46 o
9 3 2 5277.41 5329.55 161.70 o
11 3 2 2583.28 2180.12 133.11 o
-10 4 2 378.56 435.18 151.89 o
-8 4 2 126.69 192.10 89.81 o
-6 4 2 4227.51 4433.58 137.40 o
-4 4 2 4887.49 4470.29 178.07 o
-2 4 2 467.48 977.68 112.08 o
0 4 2 22185.77 22125.74 169.47 o
2 4 2 30621.54 28358.61 714.87 o
4 4 2 4825.51 4416.30 126.64 o
6 4 2 116.64 310.40 155.52 o
8 4 2 507.79 576.46 95.19 o
10 4 2 1860.45 2300.98 241.72 o
-7 5 2 5920.93 5263.25 548.32 o
-5 5 2 11343.62 10623.81 180.49 o
-3 5 2 29723.31 25078.08 271.32 o
-1 5 2 19601.58 17063.79 172.54 o
1 5 2 11883.03 10718.69 115.35 o
3 5 2 13176.07 12137.10 427.87 o
5 5 2 18860.86 17032.10 235.19 o
9 5 2 6596.47 7343.92 378.91 o
-10 6 2 1557.86 1273.27 191.86 o
-8 6 2 2726.56 2706.08 230.25 o
-6 6 2 860.56 968.86 193.29 o
-4 6 2 109.91 34.86 90.53 o
-2 6 2 1714.94 1825.52 142.91 o
0 6 2 14313.81 13424.98 151.57 o
2 6 2 19152.40 17200.19 478.62 o
4 6 2 3880.42 3128.95 169.04 o
8 6 2 1217.13 1090.63 202.95 o
10 6 2 105.06 222.12 159.24 o
-9 7 2 2214.68 2140.92 106.98 o
-7 7 2 4412.40 4521.67 287.00 o
-5 7 2 16347.49 17342.64 491.09 o
-3 7 2 20021.19 19179.92 582.62 o
-1 7 2 20812.09 21786.77 256.42 o
1 7 2 10550.64 10468.30 140.73 o
3 7 2 9564.02 10343.09 360.50 o
5 7 2 5279.96 4704.04 162.51 o
7 7 2 5676.67 5918.21 294.08 o
9 7 2 3613.84 4344.81 249.88 o
-8 8 2 4229.07 4527.65 109.43 o
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-4 8 2 557.53 539.01 115.53 o
-2 8 2 577.88 619.49 93.09 o
0 8 2 680.14 649.54 90.73 o
2 8 2 1200.96 1233.73 119.87 o
4 8 2 136.51 102.90 123.27 o
6 8 2 2518.44 2531.85 250.64 o
8 8 2 4348.65 4433.44 157.75 o
-7 9 2 3298.33 3946.30 215.59 o
-5 9 2 5475.23 6161.95 187.75 o
-3 9 2 7754.87 8733.86 110.73 o
-1 9 2 4332.75 4719.86 98.37 o
1 9 2 6641.86 7020.81 126.12 o
3 9 2 16316.23 17146.09 626.64 o
5 9 2 6088.28 6127.98 250.25 o
7 9 2 2666.31 2496.97 224.57 o
-4 10 2 1728.06 2029.03 190.86 o
-2 10 2 4115.75 4368.51 223.70 o
0 10 2 1420.45 1970.89 212.84 o
2 10 2 157.20 67.10 182.37 o
4 10 2 318.88 412.10 112.70 o
6 10 2 1669.04 1939.30 177.21 o
-3 11 2 2757.58 2342.63 210.69 o
-1 11 2 3062.57 3147.83 155.74 o
1 11 2 6843.33 6618.84 293.98 o
3 11 2 5119.62 4591.18 343.75 o
1 0 3 41782.82 40623.99 181.26 o
5 0 3 15768.61 14649.98 193.11 o
7 0 3 12455.52 11049.82 176.22 o
9 0 3 1283.89 1194.63 107.63 o
11 0 3 2500.67 2409.66 408.68 o
-10 1 3 7494.31 6405.71 280.10 o
-8 1 3 3665.86 3226.94 159.24 o
-6 1 3 12948.74 11395.41 195.17 o
-4 1 3 22309.34 22287.81 166.42 o
-2 1 3 8325.19 8046.88 633.20 o
0 1 3 43711.76 41735.97 348.25 o
2 1 3 5836.19 7150.26 492.79 o
4 1 3 24859.70 24238.94 133.86 o
6 1 3 7.17 85.21 100.97 o
8 1 3 17935.20 18941.78 314.77 o
10 1 3 504.30 551.95 240.90 o
-11 2 3 2888.58 2816.18 97.39 o
-9 2 3 6308.18 6180.98 252.22 o
-7 2 3 1222.07 1327.80 87.83 o
-5 2 3 13878.34 13663.86 296.08 o
-3 2 3 14666.44 14522.82 90.98 o
-1 2 3 4390.33 5491.00 230.65 o
1 2 3 13633.51 13099.97 380.94 o
3 2 3 52560.30 49292.94 296.03 o
5 2 3 7971.43 8228.25 225.79 o
7 2 3 3231.31 3342.90 203.34 o
9 2 3 8022.17 7429.88 326.24 o
-10 3 3 1651.04 1638.87 122.18 o
-8 3 3 3694.00 3198.72 109.64 o
-6 3 3 7120.61 6691.35 106.45 o
-4 3 3 2093.64 1797.06 132.43 o
-2 3 3 60030.88 52844.11 177.65 o
2 3 3 11840.30 10781.82 328.24 o
4 3 3 5822.90 5070.90 321.58 o
6 3 3 10235.85 9541.93 711.60 o
8 3 3 1843.64 1847.14 155.74 o
10 3 3 2942.00 3014.62 224.57 o
-9 4 3 2161.07 1805.38 152.71 o
-7 4 3 15181.76 13453.26 669.29 o
-5 4 3 10675.38 10136.54 305.43 o
-3 4 3 2624.14 2406.09 90.09 o
-1 4 3 28666.77 24501.79 131.65 o
1 4 3 18228.19 16785.07 299.00 o
3 4 3 5281.76 4543.98 152.71 o
5 4 3 16348.17 15929.92 180.57 o
7 4 3 4297.31 4360.33 240.90 o
9 4 3 1041.26 1216.68 279.28 o
-10 5 3 41.78 -16.41 109.83 o
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-6 5 3 3829.91 3272.32 142.16 o
-4 5 3 16565.93 16458.29 284.97 o
-2 5 3 3475.06 3097.05 146.17 o
0 5 3 21845.45 19678.67 288.58 o
2 5 3 13899.54 12879.61 151.29 o
6 5 3 15560.64 14470.62 230.29 o
8 5 3 1493.30 1227.81 131.32 o
-9 6 3 2261.98 2059.17 165.73 o
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-5 6 3 14632.00 14502.85 468.36 o
-3 6 3 8129.54 7954.73 211.10 o
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3 6 3 8506.49 7755.49 207.42 o
5 6 3 1760.80 1711.47 155.16 o
7 6 3 4342.58 4577.28 215.30 o
9 6 3 6103.40 5369.75 960.26 o
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-2 7 3 3188.95 3284.31 130.89 o
0 7 3 11718.04 11103.85 292.49 o
2 7 3 385.37 440.95 176.35 o
4 7 3 17855.82 17559.77 190.84 o
6 7 3 686.06 660.05 154.28 o
8 7 3 3026.42 3144.38 190.72 o
-7 8 3 2840.08 2492.07 144.54 o
-5 8 3 642.38 738.19 151.09 o
-3 8 3 3607.93 4056.99 86.59 o
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3 8 3 2525.24 2620.16 264.36 o
5 8 3 9053.80 8823.90 426.64 o
7 8 3 1713.93 1882.83 211.05 o
-6 9 3 7583.10 7886.07 181.29 o
-4 9 3 147.61 102.57 144.96 o
-2 9 3 7152.77 7932.62 103.51 o
0 9 3 3340.33 3486.13 82.64 o
2 9 3 6582.83 7189.90 185.55 o
4 9 3 693.14 1071.19 258.46 o
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-3 10 3 2013.66 2483.31 130.06 o
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1 3 4 12526.25 11000.19 118.78 o
3 3 4 7483.08 7553.80 388.26 o
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-6 4 4 4081.34 3797.59 121.66 o
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-2 4 4 2229.28 2129.84 97.85 o
0 4 4 13396.66 12702.70 101.21 o
2 4 4 15358.81 14150.11 152.76 o
4 4 4 28034.34 26218.14 294.80 o
6 4 4 9.71 47.32 187.01 o
8 4 4 12834.28 14153.32 298.62 o
10 4 4 2243.70 1905.00 139.64 o
-9 5 4 756.58 586.64 90.65 o
-7 5 4 232.29 191.38 102.66 o
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-3 5 4 851.85 790.85 136.38 o
-1 5 4 7640.05 6704.70 121.57 o
1 5 4 6668.20 6284.03 200.89 o
3 5 4 4898.17 4201.09 184.56 o
5 5 4 238.25 337.26 187.82 o
7 5 4 216.45 236.33 137.97 o
9 5 4 41.35 58.83 152.30 o
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-2 6 4 30797.77 30757.36 221.08 o
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2 6 4 8396.46 8133.63 140.69 o
4 6 4 4474.69 4470.96 139.47 o
6 6 4 14843.98 15908.92 196.41 o
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-7 7 4 3750.52 4639.53 452.32 o
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-3 7 4 125.32 70.17 153.95 o
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