#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:50:46 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181891 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/91/2239136.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_2239136
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.4930
_cell_length_b                   20.3946
_cell_length_c                   6.3349
_exptl_crystal_F_000             1370.80
_reflns_d_resolution_high        0.7836
_cod_data_source_file            wm2786Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '    alm1 in C m c a'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            585.29
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x, -y, -z'
'-x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x-1/2, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, z'
'x, -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 4244.48 6396.57 210.24 o
4 0 0 342561.88 377252.19 1993.50 o
6 0 0 7699.13 8836.39 397.58 o
8 0 0 283284.13 313912.78 2654.47 o
10 0 0 1572.39 1743.61 121.86 o
12 0 0 56017.54 55455.52 1472.88 o
2 2 0 97515.23 121124.59 784.60 o
4 2 0 3785.44 4672.34 180.59 o
6 2 0 41391.57 47153.25 665.97 o
8 2 0 16350.07 18240.97 631.02 o
10 2 0 34905.85 37583.65 1072.07 o
12 2 0 4695.23 4079.19 385.25 o
0 4 0 8380.92 8600.89 225.22 o
2 4 0 42475.13 47500.33 572.59 o
4 4 0 9982.47 14082.49 395.53 o
6 4 0 18212.14 24858.05 606.65 o
8 4 0 3195.22 3439.36 236.38 o
10 4 0 19361.59 20300.82 524.14 o
12 4 0 1202.00 1297.58 98.66 o
0 6 0 20961.91 21696.48 406.69 o
2 6 0 169385.17 185890.42 1286.42 o
4 6 0 8213.73 13494.93 429.88 o
6 6 0 81024.63 104179.73 1324.59 o
8 6 0 29702.82 34576.53 854.19 o
10 6 0 18293.81 22258.79 744.95 o
12 6 0 2775.77 2825.95 236.96 o
0 8 0 1266.48 2819.49 180.29 o
2 8 0 14514.35 16294.16 420.78 o
4 8 0 21903.42 27983.81 635.13 o
6 8 0 16015.78 24141.88 673.01 o
8 8 0 1196.28 1316.96 108.94 o
10 8 0 5943.77 7140.64 506.82 o
12 8 0 4208.30 3999.32 310.96 o
0 10 0 53320.14 50286.64 760.52 o
2 10 0 4046.48 4413.94 244.01 o
4 10 0 37749.15 44832.65 845.67 o
6 10 0 0.49 -156.80 156.80 o
8 10 0 50234.36 68063.96 1330.47 o
10 10 0 0.90 -29.36 158.56 o
12 10 0 21343.92 25931.59 1029.49 o
0 12 0 24751.75 25758.93 598.14 o
2 12 0 60909.03 63068.04 950.79 o
4 12 0 535.05 778.72 60.78 o
6 12 0 56805.61 71348.87 1234.74 o
8 12 0 3903.87 4914.59 385.54 o
10 12 0 33628.00 42011.10 1219.76 o
0 14 0 4024.14 3282.26 258.99 o
2 14 0 60489.68 63046.90 1031.25 o
4 14 0 963.12 1176.31 88.38 o
6 14 0 51824.79 61880.57 1223.29 o
8 14 0 271.05 477.45 205.84 o
10 14 0 28848.62 34056.21 1102.90 o
0 16 0 121178.10 122067.45 1461.43 o
2 16 0 649.25 649.23 68.71 o
4 16 0 47362.13 53631.16 1070.89 o
6 16 0 4424.00 4908.71 373.80 o
8 16 0 33877.17 42956.90 1149.59 o
10 16 0 5351.11 5538.86 417.55 o
0 18 0 5971.23 6247.70 390.54 o
2 18 0 2294.60 1951.21 167.96 o
4 18 0 5152.31 6036.86 391.71 o
6 18 0 1340.43 1465.54 108.06 o
8 18 0 3165.65 4125.88 321.83 o
0 20 0 47086.70 48692.79 1045.64 o
2 20 0 2.70 234.32 143.59 o
4 20 0 31684.81 36139.55 954.02 o
6 20 0 152.01 145.35 178.24 o
8 20 0 34756.71 42481.21 1195.69 o
0 22 0 8220.74 8292.28 497.71 o
2 22 0 54822.70 60557.74 1235.62 o
4 22 0 16073.57 17082.57 725.87 o
6 22 0 35376.96 39550.43 1098.49 o
0 24 0 6424.48 5448.12 410.80 o
2 24 0 5429.67 5762.02 440.16 o
4 24 0 13801.97 15821.11 710.89 o
0 26 0 13634.17 14190.26 665.97 o
1 1 1 38189.68 36410.43 1551.82 o
3 1 1 38403.50 41862.06 3148.23 o
5 1 1 4896.04 5686.05 259.74 o
7 1 1 36372.83 41579.30 1058.55 o
9 1 1 7446.87 7300.28 170.89 o
11 1 1 8337.05 8374.88 235.44 o
13 1 1 6765.50 6067.31 202.40 o
0 2 1 3634.96 3419.03 64.96 o
2 2 1 11247.80 10727.18 737.61 o
4 2 1 15899.22 19765.07 1384.79 o
6 2 1 6080.52 6890.33 679.77 o
8 2 1 3112.83 3217.58 251.65 o
10 2 1 1891.76 2029.48 104.59 o
12 2 1 297.00 338.75 55.16 o
1 3 1 17896.68 15340.37 725.42 o
3 3 1 29737.43 30833.48 2366.41 o
5 3 1 10177.02 12272.54 793.40 o
7 3 1 14600.86 16625.49 671.40 o
9 3 1 8906.80 9014.65 240.49 o
11 3 1 9141.03 8932.30 276.19 o
13 3 1 5750.22 5125.78 234.51 o
0 4 1 48418.92 41326.70 833.93 o
2 4 1 7953.98 7813.06 422.25 o
4 4 1 19912.45 20348.60 764.48 o
6 4 1 6398.89 6794.67 339.44 o
8 4 1 21428.86 22964.59 880.03 o
10 4 1 1866.60 1889.49 110.38 o
12 4 1 7207.08 6732.95 258.24 o
1 5 1 6727.82 6400.06 302.82 o
3 5 1 29.37 120.39 60.93 o
5 5 1 4821.44 6214.30 363.52 o
7 5 1 597.06 721.49 41.27 o
9 5 1 3141.01 3559.25 159.11 o
11 5 1 165.30 10.44 90.72 o
13 5 1 722.47 592.42 52.77 o
0 6 1 102224.70 89561.90 461.66 o
2 6 1 37495.79 34410.57 1793.53 o
4 6 1 72373.84 78625.55 3563.57 o
6 6 1 25950.09 29350.64 857.71 o
8 6 1 36414.83 39858.77 824.24 o
10 6 1 9340.81 9734.42 468.94 o
12 6 1 17179.75 16377.53 399.04 o
1 7 1 26919.81 22645.42 391.53 o
3 7 1 1145.69 936.79 48.41 o
5 7 1 27134.69 26947.34 1172.05 o
7 7 1 6394.77 6595.79 482.44 o
9 7 1 17595.32 17378.64 354.69 o
11 7 1 5340.82 4710.32 249.59 o
0 8 1 5613.31 6449.30 156.09 o
2 8 1 68358.80 65192.20 3110.93 o
4 8 1 36590.16 38094.27 958.28 o
6 8 1 73264.53 76259.96 1773.56 o
8 8 1 1543.54 1531.50 81.69 o
10 8 1 34955.65 34518.48 546.37 o
12 8 1 12934.44 12615.77 534.71 o
1 9 1 2419.26 2010.30 70.99 o
3 9 1 106.38 95.96 30.05 o
5 9 1 7684.99 8190.26 452.79 o
7 9 1 157.20 157.79 73.66 o
9 9 1 4945.53 5162.06 298.77 o
11 9 1 1705.73 1525.11 73.81 o
0 10 1 8938.17 7884.79 255.61 o
2 10 1 7803.73 7920.07 308.46 o
4 10 1 20503.27 22162.70 694.45 o
6 10 1 6826.80 6925.02 231.90 o
8 10 1 4144.61 4713.14 338.86 o
10 10 1 913.84 971.61 64.67 o
12 10 1 4160.64 4090.60 195.69 o
1 11 1 432.83 524.98 21.86 o
3 11 1 39.19 26.12 89.27 o
5 11 1 1210.47 1024.57 62.58 o
7 11 1 84.08 227.13 82.43 o
9 11 1 462.58 306.47 115.02 o
11 11 1 55.94 109.13 98.49 o
0 12 1 3505.66 2989.85 144.41 o
2 12 1 16337.49 15481.29 351.48 o
4 12 1 1725.60 1896.43 185.87 o
6 12 1 6819.86 6655.69 558.35 o
8 12 1 428.05 622.27 142.56 o
10 12 1 7488.56 7325.13 607.97 o
1 13 1 34211.00 32215.03 589.29 o
3 13 1 39595.64 37746.31 1218.30 o
5 13 1 15560.15 15542.86 376.47 o
7 13 1 35762.25 35871.95 604.77 o
9 13 1 14135.14 14978.01 435.63 o
11 13 1 14318.56 13458.25 456.16 o
0 14 1 55977.45 52007.63 1468.33 o
2 14 1 11748.68 10964.29 554.97 o
4 14 1 6958.49 7118.53 259.89 o
6 14 1 7337.28 7627.64 347.81 o
8 14 1 38039.63 39116.42 1556.56 o
10 14 1 11407.44 10197.01 422.54 o
1 15 1 280.94 311.00 56.34 o
3 15 1 2608.16 2238.86 128.23 o
5 15 1 115.89 212.89 132.43 o
7 15 1 3231.51 3208.76 230.21 o
9 15 1 26.26 212.63 120.54 o
0 16 1 43579.11 42542.82 1158.84 o
2 16 1 25774.03 25483.82 605.18 o
4 16 1 10701.07 11408.16 349.70 o
6 16 1 14406.57 15847.18 1106.42 o
8 16 1 21580.58 22970.73 1576.09 o
10 16 1 13306.57 13308.22 556.88 o
1 17 1 6361.00 6467.95 186.31 o
3 17 1 8737.12 9006.90 318.33 o
5 17 1 2620.86 2497.53 208.04 o
7 17 1 7307.26 7218.32 330.48 o
9 17 1 2803.36 2949.42 187.36 o
0 18 1 2708.57 2576.93 182.49 o
2 18 1 15144.16 14880.57 413.74 o
4 18 1 2040.02 2065.83 120.94 o
6 18 1 8311.45 8633.77 735.12 o
8 18 1 830.98 990.45 133.02 o
1 19 1 13168.55 13569.41 417.09 o
3 19 1 10469.73 11581.18 451.61 o
5 19 1 11640.43 12708.07 1471.56 o
7 19 1 7769.69 8858.76 388.36 o
9 19 1 9489.53 9547.28 591.97 o
0 20 1 13062.13 13596.24 405.98 o
2 20 1 1125.74 1083.92 64.24 o
4 20 1 1154.86 1176.43 75.90 o
6 20 1 166.04 68.05 133.93 o
8 20 1 7005.30 7910.76 816.75 o
1 21 1 173.88 106.82 79.47 o
3 21 1 1004.06 1079.46 310.52 o
5 21 1 1.18 -59.08 109.78 o
7 21 1 944.10 1163.69 76.20 o
0 22 1 8498.82 8911.95 748.33 o
2 22 1 106.57 150.19 112.50 o
4 22 1 89.80 162.97 162.97 o
6 22 1 621.48 718.10 68.73 o
1 23 1 3352.28 3748.75 144.29 o
3 23 1 436.36 720.53 226.83 o
5 23 1 3762.42 4014.33 268.68 o
0 24 1 3909.89 3799.36 202.43 o
2 24 1 512.84 604.89 169.57 o
4 24 1 2156.87 2672.58 354.27 o
1 25 1 4143.31 4628.44 155.88 o
3 25 1 3335.88 3440.85 298.48 o
0 0 2 8937.16 8197.07 126.85 o
2 0 2 241222.98 229233.73 25639.86 o
4 0 2 21094.50 24008.29 3438.33 o
6 0 2 166404.92 175524.03 16617.01 o
8 0 2 13901.18 14270.84 735.41 o
10 0 2 125034.63 128086.17 7423.41 o
12 0 2 50.14 107.47 123.62 o
1 1 2 15314.65 13872.52 349.89 o
3 1 2 92.47 105.84 17.23 o
5 1 2 13479.43 13447.52 941.40 o
7 1 2 1958.13 1826.60 116.55 o
9 1 2 8713.14 9174.42 187.86 o
11 1 2 1393.41 1372.60 55.77 o
0 2 2 75987.37 67282.76 1683.56 o
2 2 2 26806.65 24328.66 2944.14 o
4 2 2 29452.52 28844.54 2945.32 o
6 2 2 14241.87 15097.63 970.61 o
8 2 2 32709.13 33342.05 2326.04 o
10 2 2 16551.23 16074.47 823.36 o
12 2 2 13494.16 11778.74 329.43 o
1 3 2 2026.57 2050.78 127.87 o
3 3 2 113.69 84.61 17.51 o
5 3 2 346.04 498.10 60.78 o
7 3 2 857.05 953.86 97.93 o
9 3 2 429.81 396.42 82.51 o
11 3 2 49.26 102.66 82.19 o
0 4 2 35268.72 31927.03 524.43 o
2 4 2 152.92 78.16 36.00 o
4 4 2 19454.07 19529.93 1711.02 o
6 4 2 2698.58 3270.62 355.15 o
8 4 2 7627.93 7957.53 502.85 o
10 4 2 484.98 568.72 173.69 o
12 4 2 3902.34 4027.19 327.55 o
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3 5 2 42604.28 41374.30 2157.20 o
5 5 2 13778.31 14139.55 1021.41 o
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11 5 2 10062.70 10306.03 441.33 o
0 6 2 3787.43 2761.91 268.24 o
2 6 2 22577.91 21079.55 664.06 o
4 6 2 88379.41 87252.01 4619.19 o
6 6 2 2985.65 2710.14 229.04 o
8 6 2 19017.46 19443.87 1039.77 o
10 6 2 2145.67 1980.83 98.97 o
12 6 2 33642.80 31198.42 551.56 o
1 7 2 15125.14 13837.49 205.05 o
3 7 2 10347.71 9604.59 548.07 o
5 7 2 1643.85 1284.50 72.63 o
7 7 2 15256.42 14433.76 318.01 o
9 7 2 2147.46 2116.95 112.88 o
11 7 2 2192.63 1999.73 113.36 o
0 8 2 7295.25 6090.30 146.88 o
2 8 2 7599.09 6684.38 155.16 o
4 8 2 29671.06 30042.52 1448.65 o
6 8 2 7940.36 7059.89 197.22 o
8 8 2 7558.00 8028.05 378.50 o
10 8 2 2105.80 1894.49 119.82 o
12 8 2 9513.33 9216.33 505.93 o
1 9 2 18505.13 17381.30 285.10 o
3 9 2 8941.14 8440.60 323.29 o
5 9 2 3681.16 3834.15 147.87 o
7 9 2 14247.46 13673.99 552.92 o
9 9 2 4948.28 5039.57 320.50 o
11 9 2 1738.11 1721.68 182.94 o
0 10 2 6204.72 6094.76 164.04 o
2 10 2 56654.98 50332.03 2288.60 o
4 10 2 51.28 35.69 106.00 o
6 10 2 33177.07 32836.84 1399.91 o
8 10 2 304.21 306.93 111.14 o
10 10 2 12761.50 12449.80 340.63 o
1 11 2 15218.44 14070.43 286.08 o
3 11 2 19161.97 17552.26 941.10 o
5 11 2 11485.87 10793.77 672.13 o
7 11 2 8423.18 7697.37 280.28 o
9 11 2 8245.31 7542.93 264.62 o
11 11 2 5505.07 5115.26 250.31 o
0 12 2 54961.70 48274.20 698.71 o
2 12 2 298.53 326.89 27.62 o
4 12 2 77322.30 70822.67 3458.74 o
6 12 2 56.36 226.35 75.21 o
8 12 2 20351.03 18704.57 407.66 o
10 12 2 564.58 529.25 46.49 o
1 13 2 1752.33 1661.14 67.02 o
3 13 2 10.58 94.93 62.53 o
5 13 2 278.01 276.29 100.42 o
7 13 2 546.34 509.83 87.06 o
9 13 2 487.09 486.83 108.94 o
11 13 2 151.40 166.00 160.62 o
0 14 2 28764.82 23713.20 1164.71 o
2 14 2 672.36 715.76 49.54 o
4 14 2 46125.19 41359.63 776.08 o
6 14 2 555.77 491.20 44.90 o
8 14 2 16851.30 15838.18 403.61 o
10 14 2 243.89 205.54 44.88 o
1 15 2 7107.67 6412.33 164.44 o
3 15 2 73.13 93.10 91.89 o
5 15 2 3905.04 3494.47 349.43 o
7 15 2 2321.65 2499.07 286.59 o
9 15 2 3631.13 3502.23 182.36 o
0 16 2 263.69 215.49 37.03 o
2 16 2 19724.88 18378.50 401.28 o
4 16 2 3025.68 2796.91 142.27 o
6 16 2 20553.89 19389.52 453.80 o
8 16 2 589.09 559.43 70.19 o
10 16 2 16887.35 15704.13 945.80 o
1 17 2 3710.62 3110.87 110.66 o
3 17 2 2699.97 2455.77 135.54 o
5 17 2 6297.51 6030.20 268.69 o
7 17 2 592.02 615.27 53.45 o
9 17 2 3377.95 2932.07 390.83 o
0 18 2 289.01 305.80 102.74 o
2 18 2 5688.17 5208.51 242.92 o
4 18 2 352.89 303.44 58.35 o
6 18 2 3297.84 2888.42 165.82 o
8 18 2 546.69 483.56 55.57 o
1 19 2 208.03 192.84 72.66 o
3 19 2 1223.59 1335.03 119.36 o
5 19 2 508.43 526.00 55.71 o
7 19 2 109.40 -52.85 201.73 o
0 20 2 1301.68 1200.67 117.31 o
2 20 2 30031.04 28750.31 1076.91 o
4 20 2 16.21 10.29 103.59 o
6 20 2 25357.91 24505.86 1090.71 o
1 21 2 9628.05 9594.96 314.23 o
3 21 2 7187.97 6662.34 316.94 o
5 21 2 2486.15 2671.12 238.87 o
7 21 2 12294.62 12146.25 449.36 o
0 22 2 15590.02 15916.88 664.79 o
2 22 2 4532.83 4368.98 214.96 o
4 22 2 31526.84 31675.26 692.66 o
6 22 2 7118.17 7443.06 355.15 o
1 23 2 268.65 292.09 71.46 o
3 23 2 1954.28 2118.55 125.42 o
5 23 2 112.24 153.42 116.87 o
0 24 2 3147.11 3252.30 326.96 o
2 24 2 7785.64 8436.39 621.63 o
1 25 2 2033.64 1990.14 146.98 o
1 1 3 26.82 73.71 14.31 o
3 1 3 18591.77 19216.34 1214.99 o
5 1 3 3229.50 3305.96 211.41 o
7 1 3 811.93 869.21 52.77 o
9 1 3 699.62 764.59 43.95 o
11 1 3 5599.79 4994.60 272.44 o
0 2 3 557.69 957.59 50.69 o
2 2 3 9100.06 8534.60 635.43 o
4 2 3 21828.52 20572.88 2337.34 o
6 2 3 2250.32 2184.00 166.20 o
8 2 3 8251.93 7868.45 512.39 o
10 2 3 1108.06 1166.18 68.86 o
12 2 3 17250.40 15244.84 1047.84 o
1 3 3 945.35 898.58 49.98 o
3 3 3 40.83 35.09 38.30 o
5 3 3 559.02 660.55 40.17 o
7 3 3 1347.99 1419.93 181.17 o
9 3 3 316.99 329.69 33.62 o
11 3 3 209.03 102.15 104.13 o
0 4 3 736.66 775.44 73.12 o
2 4 3 36593.49 32525.01 2461.40 o
4 4 3 159.38 193.90 18.99 o
6 4 3 33302.37 32482.13 3188.74 o
8 4 3 558.19 569.05 178.82 o
10 4 3 22116.14 20947.92 1147.38 o
12 4 3 11.18 -94.27 94.27 o
1 5 3 59.24 64.66 37.38 o
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2 6 3 71189.32 64700.12 2460.37 o
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11 7 3 7482.01 6590.47 618.25 o
0 8 3 137672.14 124412.76 975.01 o
2 8 3 4962.18 4597.10 404.48 o
4 8 3 184618.58 170826.17 7957.83 o
6 8 3 450.82 546.80 114.66 o
8 8 3 45128.67 43753.71 1699.71 o
10 8 3 779.19 741.25 69.59 o
1 9 3 448.21 479.32 33.36 o
3 9 3 100.18 137.84 51.46 o
5 9 3 355.29 354.71 30.10 o
7 9 3 560.71 543.06 81.04 o
9 9 3 192.52 224.57 77.12 o
11 9 3 145.46 220.74 83.36 o
0 10 3 937.08 969.34 46.77 o
2 10 3 9773.97 9315.83 325.64 o
4 10 3 3570.47 3132.33 246.95 o
6 10 3 10422.57 10596.17 735.41 o
8 10 3 846.66 711.38 65.04 o
10 10 3 4454.94 4625.76 223.15 o
1 11 3 113.18 85.12 43.46 o
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5 11 3 586.66 486.01 39.29 o
7 11 3 655.03 580.28 70.62 o
9 11 3 254.18 144.93 92.08 o
11 11 3 407.37 438.00 64.75 o
0 12 3 18034.30 17190.30 318.44 o
2 12 3 548.14 593.41 33.60 o
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6 12 3 940.73 824.77 47.53 o
8 12 3 12418.12 11797.97 482.30 o
10 12 3 204.51 106.04 129.20 o
1 13 3 2586.39 2519.28 89.44 o
3 13 3 9622.43 9275.24 562.02 o
5 13 3 6378.79 6501.72 721.46 o
7 13 3 2158.09 1949.39 154.31 o
9 13 3 2373.17 1886.14 154.16 o
0 14 3 30237.43 27290.65 434.43 o
2 14 3 62648.25 59055.39 770.21 o
4 14 3 2125.95 1947.65 177.06 o
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8 14 3 4715.10 4573.22 222.98 o
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