#------------------------------------------------------------------------------
#$Date: 2021-07-01 12:38:46 +0300 (Thu, 01 Jul 2021) $
#$Revision: 266874 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/38/1563858.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1563858
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.5062
_cell_length_b                   22.8761
_cell_length_c                   24.7037
_exptl_crystal_F_000             2808.00
_reflns_d_resolution_high        0.8406
_cod_data_source_file            7.fcf
_cod_data_source_block           7
_shelx_title                     ' shelx_sq in Fddd'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1036.93
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'
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
8 0 0 148801.55 134733.05 8461.80 o
12 0 0 29524.57 28934.49 4017.10 o
2 2 0 812395.69 794618.88 53678.14 o
6 2 0 308229.22 254870.86 31557.44 o
10 2 0 72817.87 91160.20 4667.24 o
14 2 0 28258.81 26711.84 3107.48 o
4 4 0 174653.00 160871.81 8425.03 o
8 4 0 121319.23 147010.48 5714.01 o
12 4 0 41545.31 51875.91 2921.41 o
2 6 0 180819.22 175313.25 7915.25 o
6 6 0 205149.06 183259.16 7834.27 o
10 6 0 58619.38 62226.82 7369.10 o
14 6 0 10546.50 12119.10 1262.39 o
0 8 0 67515.59 59784.40 3278.16 o
4 8 0 335651.69 319440.56 21037.63 o
8 8 0 180954.05 145207.80 12358.11 o
12 8 0 24648.37 18737.32 1870.29 o
2 10 0 250309.02 224791.44 19263.89 o
6 10 0 125024.85 136660.48 5807.56 o
10 10 0 82993.50 82950.77 10575.82 o
0 12 0 197920.98 164977.31 11373.13 o
4 12 0 335167.19 342312.66 15387.77 o
8 12 0 53342.16 56045.87 4019.74 o
12 12 0 25227.95 29903.25 4517.75 o
2 14 0 277291.97 271713.59 13326.64 o
6 14 0 92476.82 98721.95 8188.08 o
10 14 0 26515.78 22633.97 1634.99 o
0 16 0 195770.81 224716.66 19919.94 o
4 16 0 68451.20 63959.91 4674.97 o
8 16 0 30852.49 42168.91 4526.53 o
12 16 0 12642.19 13222.77 1892.68 o
2 18 0 66898.37 75556.02 4102.12 o
6 18 0 49650.19 58257.91 6974.68 o
10 18 0 21092.83 21041.81 1895.38 o
0 20 0 64628.92 57480.09 4804.55 o
4 20 0 41697.99 44586.00 5239.69 o
8 20 0 29412.17 28332.13 2452.52 o
2 22 0 35142.81 31176.86 3704.06 o
6 22 0 32025.31 29982.89 3417.58 o
0 24 0 31322.28 25599.68 2923.83 o
4 24 0 19659.07 18193.70 3519.19 o
2 26 0 21532.04 21337.01 1752.36 o
3 1 1 52911.32 47707.94 1165.14 o
5 1 1 11837.80 8531.08 415.14 o
7 1 1 46625.14 46469.45 1379.72 o
9 1 1 22110.78 26196.61 799.49 o
11 1 1 1925.30 511.04 417.47 o
13 1 1 2727.54 2676.67 415.60 o
1 3 1 61057.75 41501.46 823.82 o
3 3 1 29801.18 31450.92 1116.89 o
5 3 1 22865.02 20631.00 521.11 o
7 3 1 86874.53 108614.41 2805.93 o
9 3 1 17997.21 11844.17 574.07 o
11 3 1 5126.54 4772.22 670.28 o
13 3 1 5422.85 3436.81 516.97 o
1 5 1 64492.74 63357.56 1583.40 o
3 5 1 35150.86 25704.59 861.15 o
5 5 1 85197.15 77954.38 2729.20 o
7 5 1 19104.51 18596.66 1116.63 o
9 5 1 17356.92 14768.45 910.88 o
11 5 1 9245.41 5590.46 804.75 o
13 5 1 11408.33 9586.62 706.18 o
1 7 1 9514.36 11538.63 694.82 o
3 7 1 18240.05 16649.16 399.26 o
7 7 1 4263.66 5760.16 464.35 o
9 7 1 29414.10 27319.39 1702.05 o
11 7 1 23297.36 26078.49 1956.34 o
13 7 1 3509.71 5764.10 596.77 o
1 9 1 8454.33 9713.34 487.15 o
3 9 1 8779.73 10377.43 828.95 o
5 9 1 14188.68 16411.77 1184.18 o
7 9 1 2234.45 5548.54 716.79 o
9 9 1 8172.00 8241.51 1156.88 o
11 9 1 28242.84 29097.93 1702.62 o
13 9 1 3469.42 7781.63 822.76 o
1 11 1 44468.73 49623.18 7132.05 o
3 11 1 38391.30 35925.30 1011.12 o
5 11 1 18352.15 10153.81 573.19 o
7 11 1 3372.31 3215.36 282.88 o
9 11 1 2217.50 5475.64 1172.81 o
11 11 1 8349.52 7271.96 657.61 o
13 11 1 5425.16 5979.08 667.18 o
1 13 1 33063.25 31922.57 1378.55 o
3 13 1 72074.59 69779.72 2328.23 o
5 13 1 25368.26 26035.98 1896.04 o
7 13 1 12140.02 16377.49 1328.39 o
9 13 1 5834.95 3613.94 869.15 o
11 13 1 5658.48 3032.28 470.55 o
13 13 1 2764.40 2392.06 474.29 o
1 15 1 21087.05 17093.01 879.07 o
3 15 1 26474.79 33044.56 1331.91 o
5 15 1 30064.78 23040.39 1132.38 o
7 15 1 7050.50 10198.25 1421.52 o
9 15 1 11373.19 12007.67 976.02 o
11 15 1 4254.71 8194.06 1141.24 o
1 17 1 12675.98 9977.69 624.62 o
3 17 1 9022.22 11164.55 1277.40 o
5 17 1 9463.61 10517.69 2280.01 o
7 17 1 11516.40 17601.38 2213.40 o
9 17 1 16461.10 12461.80 1290.82 o
11 17 1 1392.07 1902.37 410.29 o
1 19 1 5833.81 6411.64 1162.54 o
3 19 1 5543.42 5742.96 781.38 o
5 19 1 7248.95 6663.20 1163.39 o
7 19 1 14134.46 14549.34 928.27 o
9 19 1 4334.25 5849.07 986.22 o
1 21 1 3465.77 2605.59 1076.08 o
3 21 1 3243.44 2699.24 463.24 o
5 21 1 5742.75 4859.67 537.13 o
7 21 1 8304.63 6867.72 688.11 o
9 21 1 1605.52 2057.33 397.95 o
1 23 1 4950.72 3385.19 436.64 o
3 23 1 4111.74 3026.51 486.70 o
5 23 1 3653.02 4028.75 945.25 o
7 23 1 3365.74 2652.86 589.65 o
1 25 1 9661.78 8487.58 872.89 o
3 25 1 2800.12 2142.65 322.05 o
5 25 1 3897.11 1536.48 386.64 o
1 27 1 6926.46 4598.49 486.15 o
2 0 2 1041122.12 877621.06 17210.78 o
6 0 2 337984.59 363827.06 28776.84 o
10 0 2 67376.95 85086.39 3912.27 o
14 0 2 28976.58 29676.59 4824.16 o
2 2 2 187881.03 230117.91 6141.04 o
4 2 2 299513.59 310059.16 7556.93 o
8 2 2 129175.91 139303.02 3293.59 o
10 2 2 1051.93 3326.01 1397.04 o
12 2 2 34771.36 36943.66 1827.27 o
14 2 2 120.79 876.23 495.27 o
2 4 2 325142.84 359692.62 10396.98 o
4 4 2 5563.60 5377.98 352.43 o
6 4 2 229673.47 212797.23 7842.87 o
8 4 2 9647.93 4877.25 403.25 o
10 4 2 66707.66 63367.06 2613.71 o
12 4 2 3015.08 2507.75 583.31 o
14 4 2 18917.65 19186.62 2621.57 o
2 6 2 3757.90 93.99 115.79 o
4 6 2 264101.59 251854.98 8352.29 o
6 6 2 4644.51 8429.94 721.56 o
8 6 2 158018.44 157786.86 5425.87 o
10 6 2 6971.04 12481.59 1672.99 o
12 6 2 32002.98 32523.95 1321.81 o
14 6 2 531.55 554.17 307.90 o
2 8 2 227128.69 225561.77 7190.56 o
4 8 2 2286.44 8577.64 2437.86 o
6 8 2 172583.78 164369.80 4443.70 o
8 8 2 10483.87 4803.02 415.59 o
10 8 2 75281.73 81223.09 2267.06 o
12 8 2 113.92 -346.65 353.49 o
14 8 2 12330.25 11246.63 847.16 o
0 10 2 144142.94 116355.86 7551.88 o
2 10 2 2423.12 231.39 173.09 o
4 10 2 363840.81 347377.09 13183.42 o
6 10 2 161.02 67.61 189.04 o
8 10 2 98309.41 98617.75 4472.05 o
10 10 2 6588.41 5649.50 930.74 o
12 10 2 25096.31 26140.76 1110.40 o
2 12 2 299773.62 274414.28 12438.67 o
4 12 2 20.12 -28.39 162.09 o
6 12 2 118947.18 119078.75 4235.08 o
8 12 2 368.00 646.91 1111.58 o
10 12 2 52539.60 54217.34 2443.21 o
12 12 2 450.78 879.07 956.34 o
0 14 2 224432.80 214442.41 16673.98 o
2 14 2 11544.05 10748.02 781.38 o
4 14 2 166549.03 163544.27 6512.92 o
6 14 2 526.91 2035.43 1289.95 o
8 14 2 38610.43 36003.98 1377.73 o
10 14 2 227.82 99.77 476.27 o
12 14 2 17956.84 20740.24 1390.00 o
2 16 2 127792.39 125816.16 3605.34 o
4 16 2 651.47 605.59 330.53 o
6 16 2 63263.40 73838.53 6016.90 o
8 16 2 334.71 1633.41 794.70 o
10 16 2 21001.02 22039.51 1129.58 o
0 18 2 124961.64 109363.84 9650.27 o
2 18 2 372.12 311.49 387.45 o
4 18 2 58292.18 63572.21 6039.57 o
6 18 2 84.50 966.42 879.85 o
8 18 2 35684.57 28997.57 1905.42 o
10 18 2 843.98 1825.07 987.49 o
2 20 2 49078.50 46547.82 2023.81 o
4 20 2 4.53 1704.84 855.11 o
6 20 2 40826.05 42835.45 2431.99 o
8 20 2 1373.36 1526.29 511.31 o
10 20 2 13771.85 12406.13 994.49 o
0 22 2 44797.45 41330.57 3626.54 o
2 22 2 53.77 1219.37 478.16 o
4 22 2 28654.81 24074.98 1827.70 o
6 22 2 71.84 739.90 347.54 o
8 22 2 22948.12 22325.20 1379.05 o
2 24 2 28650.65 29630.44 1474.82 o
4 24 2 51.56 1669.03 349.25 o
6 24 2 16424.13 14928.48 1070.89 o
0 26 2 20513.10 16780.44 1396.06 o
2 26 2 403.87 766.80 269.25 o
4 26 2 16070.41 16865.16 1397.73 o
1 1 3 39643.42 50530.71 1186.36 o
3 1 3 22636.71 26506.60 467.71 o
5 1 3 19376.91 18690.44 509.71 o
7 1 3 96285.23 116404.60 2284.11 o
9 1 3 14635.44 11399.97 725.09 o
11 1 3 4641.51 4667.26 629.38 o
13 1 3 5401.05 3363.02 482.58 o
1 3 3 97099.08 90135.83 2226.88 o
3 3 3 57567.12 44762.61 1072.95 o
5 3 3 80749.44 80648.20 2188.23 o
7 3 3 5008.42 1138.07 321.54 o
9 3 3 21624.22 26324.23 1221.26 o
11 3 3 4109.89 881.17 529.78 o
13 3 3 8354.31 9352.06 675.20 o
1 5 3 16268.52 22159.23 863.11 o
3 5 3 17384.68 16551.81 631.92 o
5 5 3 826.96 -241.29 787.91 o
7 5 3 40409.43 39065.06 1637.88 o
9 5 3 31868.21 25650.72 1115.78 o
11 5 3 20704.30 14755.65 1586.98 o
13 5 3 1228.15 1071.80 426.98 o
1 7 3 24320.34 15849.12 686.44 o
3 7 3 17947.79 11688.63 633.50 o
5 7 3 43670.62 31840.74 2311.01 o
7 7 3 13375.90 16249.89 1093.43 o
9 7 3 1980.73 3882.78 1676.01 o
13 7 3 10731.53 11140.11 1027.74 o
1 9 3 46436.45 41367.01 1388.13 o
3 9 3 54171.07 45995.87 4500.69 o
5 9 3 24576.63 26171.99 873.14 o
7 9 3 4347.62 6975.91 749.11 o
9 9 3 14131.20 13041.53 1166.37 o
11 9 3 4206.18 2526.28 757.20 o
13 9 3 6641.67 9491.15 891.62 o
1 11 3 14864.00 19067.28 1394.10 o
3 11 3 62985.86 53852.41 2272.57 o
5 11 3 21137.95 21686.72 1143.67 o
7 11 3 8131.21 8625.37 572.78 o
9 11 3 8789.61 10734.19 948.00 o
11 11 3 14741.08 13004.28 824.24 o
13 11 3 2673.39 1359.79 464.14 o
1 13 3 30782.49 20975.02 956.77 o
3 13 3 12429.86 10902.56 698.36 o
5 13 3 29731.34 29136.37 1839.42 o
7 13 3 1693.67 4142.71 591.29 o
9 13 3 8858.02 7855.74 1611.35 o
11 13 3 9245.48 10979.51 832.61 o
1 15 3 20907.06 17913.23 1830.82 o
3 15 3 23899.80 26585.43 1324.86 o
5 15 3 5622.30 5460.73 675.47 o
7 15 3 13717.19 18423.54 1041.74 o
9 15 3 14310.17 15104.10 1927.48 o
11 15 3 386.69 2597.93 601.08 o
1 17 3 7356.81 6616.28 515.79 o
3 17 3 17561.22 18704.02 1520.88 o
5 17 3 16527.36 25251.30 3000.51 o
7 17 3 16068.97 21365.88 2018.11 o
9 17 3 1546.43 1303.56 374.38 o
11 17 3 4797.21 3934.60 629.29 o
1 19 3 5373.32 10577.16 1431.10 o
3 19 3 4512.58 3348.79 873.81 o
5 19 3 6733.83 9493.70 1741.02 o
7 19 3 4979.84 4632.68 624.97 o
9 19 3 5429.72 9336.51 1055.33 o
1 21 3 5687.53 6219.66 981.74 o
3 21 3 4695.90 3910.58 613.60 o
5 21 3 4621.26 2915.27 511.99 o
7 21 3 6882.24 5624.78 603.73 o
9 21 3 5867.36 5407.58 541.56 o
1 23 3 12485.90 10257.41 661.83 o
3 23 3 2142.16 1287.28 290.65 o
5 23 3 6918.07 6449.82 991.47 o
7 23 3 4325.73 2757.28 541.67 o
1 25 3 3818.46 5488.70 746.94 o
3 25 3 5018.72 2805.10 547.12 o
5 25 3 1772.79 1392.30 535.92 o
1 27 3 1667.47 1504.53 298.77 o
4 0 4 187862.28 175813.20 3667.78 o
8 0 4 147457.83 155725.72 5281.76 o
12 0 4 48115.71 47752.75 3526.56 o
2 2 4 500137.31 515834.00 9993.98 o
4 2 4 2357.95 873.62 119.68 o
6 2 4 241395.95 218539.61 6356.30 o
8 2 4 7424.28 4261.80 306.94 o
10 2 4 65376.71 61483.53 2481.51 o
12 2 4 2811.18 1761.79 599.63 o
14 2 4 18533.42 18506.65 1037.64 o
2 4 4 212134.12 231400.09 6977.51 o
4 4 4 379853.59 350670.91 8637.41 o
6 4 4 2120.29 4843.05 814.04 o
8 4 4 166046.91 144373.64 4211.53 o
10 4 4 9161.44 5628.58 860.52 o
12 4 4 29970.03 29920.02 1493.60 o
14 4 4 1438.49 210.25 277.12 o
2 6 4 323114.78 343213.53 9769.15 o
4 6 4 150.94 431.04 267.95 o
6 6 4 193826.91 203186.30 6193.52 o
8 6 4 1015.25 1166.96 458.72 o
10 6 4 85505.14 102311.34 5006.34 o
12 6 4 1237.71 1361.98 356.40 o
14 6 4 18226.45 16833.03 1212.25 o
0 8 4 138256.67 139184.53 8944.35 o
2 8 4 13450.95 16121.71 584.46 o
4 8 4 324030.22 398515.88 10684.49 o
6 8 4 1129.02 2092.19 282.84 o
8 8 4 95522.54 89949.98 2304.86 o
10 8 4 604.93 -709.23 472.82 o
12 8 4 35206.07 36432.94 2058.70 o
14 8 4 103.93 214.56 392.20 o
2 10 4 330879.97 349125.94 15430.26 o
4 10 4 1174.36 2150.80 358.36 o
6 10 4 164234.45 169058.66 5103.62 o
8 10 4 2975.54 4308.01 1249.91 o
10 10 4 42118.32 38637.45 2291.22 o
12 10 4 982.24 454.42 311.08 o
0 12 4 216160.02 207410.83 16781.71 o
2 12 4 13840.94 15184.09 777.30 o
4 12 4 150828.06 144906.84 4673.90 o
6 12 4 535.30 406.78 217.95 o
8 12 4 69469.80 76365.73 5031.91 o
10 12 4 4801.07 6477.55 797.22 o
12 12 4 18730.50 22864.97 1926.37 o
2 14 4 127237.41 127621.16 3865.47 o
4 14 4 222.40 820.41 197.65 o
6 14 4 75918.95 81697.78 4300.47 o
8 14 4 797.18 -409.30 380.33 o
10 14 4 37773.04 37222.62 2586.84 o
12 14 4 222.40 498.58 406.18 o
0 16 4 130899.88 113132.93 8218.36 o
2 16 4 3864.68 3233.18 266.92 o
4 16 4 104094.73 103917.00 6305.76 o
6 16 4 551.09 1778.58 453.82 o
8 16 4 39397.14 40837.05 2527.65 o
10 16 4 1068.36 1223.63 480.09 o
2 18 4 89482.09 82746.37 3458.11 o
4 18 4 661.29 926.57 736.08 o
6 18 4 51109.50 54874.13 4277.36 o
8 18 4 2216.45 426.92 355.55 o
10 18 4 14038.24 13797.80 1066.02 o
0 20 4 76319.37 72237.81 2837.65 o
2 20 4 158.09 -294.59 196.39 o
4 20 4 35841.85 38007.57 2418.48 o
6 20 4 93.34 -392.24 500.42 o
8 20 4 22926.12 26914.53 2513.37 o
2 22 4 44464.19 47718.10 2412.32 o
4 22 4 294.02 363.40 369.84 o
6 22 4 19277.13 26149.29 1982.09 o
8 22 4 372.12 299.47 416.33 o
0 24 4 28107.22 23175.34 1819.91 o
2 24 4 190.23 169.26 276.54 o
4 24 4 25715.83 24925.08 2059.13 o
6 24 4 153.33 217.65 397.71 o
2 26 4 17900.70 12684.12 1193.01 o
1 1 5 47432.26 66521.49 1913.33 o
3 1 5 21441.80 18936.34 880.37 o
5 1 5 96108.91 102430.92 1677.39 o
7 1 5 22720.70 20442.45 702.85 o
9 1 5 14371.42 14574.86 795.11 o
11 1 5 7350.83 4650.50 626.35 o
13 1 5 11512.89 11120.24 867.87 o
1 3 5 11873.13 15743.42 563.59 o
3 3 5 14834.79 20667.73 532.47 o
5 3 5 872.60 314.13 528.73 o
7 3 5 46821.64 48038.41 1578.49 o
9 3 5 26343.65 21776.70 955.98 o
11 3 5 21983.73 16807.07 1345.81 o
13 3 5 1239.32 775.88 310.14 o
1 5 5 42026.29 53646.07 1024.85 o
3 5 5 28596.78 27417.32 796.26 o
5 5 5 43881.75 48800.46 4939.31 o
7 5 5 2834.93 1489.35 349.35 o
9 5 5 2891.03 4028.02 610.20 o
11 5 5 11664.06 20667.87 1949.79 o
13 5 5 7587.29 8474.32 722.48 o
1 7 5 71325.27 63125.22 1248.41 o
3 7 5 63434.99 61395.50 2209.68 o
5 7 5 2423.88 1310.33 494.10 o
7 7 5 26207.15 21879.84 1376.81 o
9 7 5 16368.40 21231.84 1258.81 o
11 7 5 3163.54 4357.87 1367.95 o
13 7 5 4639.88 6488.29 788.09 o
1 9 5 37036.97 24682.62 1545.80 o
3 9 5 81103.31 99579.31 5038.04 o
5 9 5 44226.67 53516.52 1490.02 o
7 9 5 24559.67 23687.27 858.69 o
9 9 5 2476.97 3757.17 1192.32 o
11 9 5 8309.21 10821.00 697.90 o
13 9 5 4665.56 4009.00 590.42 o
1 11 5 29204.11 23085.20 1357.80 o
3 11 5 16307.60 15446.49 674.91 o
5 11 5 38778.81 40099.05 1089.81 o
7 11 5 3867.94 3680.59 370.89 o
9 11 5 22069.99 22047.56 1528.55 o
11 11 5 4563.12 5460.62 880.73 o
13 11 5 6887.36 5738.22 597.27 o
1 13 5 10416.31 9968.51 603.22 o
3 13 5 13411.79 17409.50 929.24 o
5 13 5 4377.83 4906.11 390.98 o
7 13 5 17798.97 21886.93 1408.73 o
9 13 5 27892.73 31678.81 2308.93 o
11 13 5 4011.26 4004.43 500.88 o
1 15 5 10436.91 15987.60 785.86 o
3 15 5 8143.61 8390.35 497.79 o
5 15 5 19685.92 22931.00 1972.63 o
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