#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:05:18 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181904 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/04/2240460.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_2240460
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.8313
_cell_length_b                   14.8313
_cell_length_c                   9.3966
_exptl_crystal_F_000             976.00
_reflns_d_resolution_high        0.7702
_cod_data_source_file            wm5127Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' import in I 4/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            326.87
_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, 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'
'-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
2 2 0 27330.77 28773.96 426.13 o
-1 3 0 197.44 273.35 9.98 o
1 3 0 457.72 577.51 16.40 o
3 3 0 18464.68 20075.41 440.95 o
-2 4 0 87415.88 91084.34 2329.31 o
0 4 0 1376.17 1491.69 22.85 o
2 4 0 10288.06 10105.63 110.27 o
4 4 0 79.74 110.03 14.57 o
-3 5 0 61335.78 64178.21 950.44 o
-1 5 0 21738.10 21127.67 275.38 o
1 5 0 883.78 841.34 18.95 o
3 5 0 5363.07 5447.61 70.49 o
5 5 0 3962.11 4618.64 128.79 o
-4 6 0 14831.51 17111.19 394.71 o
-2 6 0 7209.91 6833.35 96.85 o
0 6 0 5404.23 5697.26 66.18 o
2 6 0 17552.52 18528.16 199.39 o
4 6 0 28673.35 30206.62 455.97 o
6 6 0 581.79 491.67 38.34 o
-5 7 0 20854.55 20614.50 388.31 o
-3 7 0 718.06 921.68 53.03 o
-1 7 0 16.83 29.84 17.03 o
1 7 0 3027.24 3055.61 43.14 o
3 7 0 51386.24 53782.94 693.15 o
5 7 0 5914.92 6239.74 111.87 o
7 7 0 177.18 152.07 37.60 o
-6 8 0 1788.03 1661.41 56.45 o
-4 8 0 2373.38 2549.39 75.99 o
-2 8 0 3453.46 3690.80 73.16 o
0 8 0 21802.22 21688.82 255.97 o
2 8 0 4020.04 3935.19 60.27 o
4 8 0 3729.18 3542.88 76.69 o
6 8 0 2.39 -18.45 29.93 o
8 8 0 16417.40 16633.08 269.31 o
-7 9 0 634.24 624.45 44.71 o
-5 9 0 19403.66 19722.02 378.20 o
-3 9 0 15377.95 14674.18 364.03 o
-1 9 0 5297.39 5219.41 96.35 o
1 9 0 4368.11 4210.43 63.31 o
3 9 0 524.71 609.36 29.79 o
5 9 0 1959.68 1824.75 61.12 o
7 9 0 5082.35 5124.42 108.45 o
9 9 0 9786.86 9325.46 169.73 o
-8 10 0 310.50 292.76 78.51 o
-6 10 0 1083.22 996.80 57.80 o
-4 10 0 21096.30 19897.34 383.70 o
-2 10 0 1973.59 1839.02 57.08 o
0 10 0 624.65 549.56 35.54 o
2 10 0 5119.06 5287.09 88.00 o
4 10 0 4973.92 4647.94 81.25 o
6 10 0 4582.49 4382.69 99.44 o
8 10 0 3266.13 3176.53 117.40 o
10 10 0 123.43 172.95 73.91 o
-9 11 0 99.35 179.71 76.28 o
-7 11 0 6647.80 6701.39 142.47 o
-5 11 0 302.48 245.67 49.78 o
-3 11 0 6484.85 6382.57 150.12 o
-1 11 0 77.18 52.96 32.80 o
1 11 0 17188.78 16631.64 354.48 o
3 11 0 5566.82 5737.35 135.72 o
5 11 0 12782.72 11904.02 197.67 o
7 11 0 384.49 335.96 47.00 o
9 11 0 109.18 117.99 72.11 o
11 11 0 72.08 -48.30 117.70 o
-10 12 0 7805.92 7593.68 209.04 o
-8 12 0 7661.09 7208.97 195.36 o
-6 12 0 3616.38 3350.65 111.99 o
-4 12 0 690.57 613.10 62.48 o
-2 12 0 2192.61 2209.74 88.77 o
0 12 0 2238.33 2095.30 70.78 o
2 12 0 12283.68 11886.35 198.05 o
4 12 0 8.31 -36.91 36.91 o
6 12 0 661.89 788.62 187.54 o
8 12 0 165.48 180.96 73.58 o
10 12 0 5458.47 5427.07 172.75 o
12 12 0 4.89 -54.35 92.16 o
-11 13 0 5321.80 6066.69 211.12 o
-9 13 0 1667.40 1720.09 114.65 o
-7 13 0 1544.71 1460.16 103.53 o
-5 13 0 661.53 739.59 111.40 o
-3 13 0 1278.67 1548.77 100.09 o
-1 13 0 3460.31 3549.67 137.82 o
1 13 0 1310.72 1530.47 149.28 o
3 13 0 649.10 716.51 48.26 o
5 13 0 5702.81 5601.32 151.00 o
7 13 0 11202.91 11009.07 249.57 o
9 13 0 2403.32 2235.41 165.66 o
11 13 0 305.04 221.02 95.39 o
13 13 0 124.92 39.73 105.78 o
-12 14 0 372.09 527.18 115.39 o
-10 14 0 4344.03 3936.48 171.07 o
-8 14 0 178.88 93.31 91.24 o
-6 14 0 4549.92 4462.61 216.30 o
-4 14 0 905.65 1163.75 124.31 o
-2 14 0 2183.19 2346.39 145.55 o
0 14 0 105.08 67.84 59.50 o
2 14 0 46.73 73.16 57.20 o
4 14 0 26.05 51.43 96.57 o
6 14 0 8882.68 8651.73 302.52 o
8 14 0 1007.87 1099.30 143.41 o
10 14 0 171.35 123.03 133.49 o
12 14 0 1370.64 1365.85 179.91 o
-11 15 0 1728.80 1631.46 178.41 o
-9 15 0 76.76 -12.09 116.95 o
-7 15 0 27.90 -82.44 91.90 o
-5 15 0 12805.53 12127.29 398.02 o
-3 15 0 289.88 174.89 108.73 o
-1 15 0 762.41 823.03 112.79 o
1 15 0 678.24 570.18 70.17 o
3 15 0 6407.99 6607.64 248.63 o
5 15 0 58.59 9.71 107.45 o
7 15 0 543.72 480.61 128.80 o
9 15 0 194.97 226.01 137.01 o
11 15 0 6419.22 6568.48 303.16 o
-10 16 0 717.43 667.52 121.14 o
-8 16 0 3417.04 3676.64 172.98 o
-6 16 0 2968.56 2762.23 194.31 o
-4 16 0 443.37 563.31 131.14 o
-2 16 0 1146.86 1210.59 136.80 o
0 16 0 5744.66 5854.35 162.93 o
2 16 0 827.74 902.10 118.02 o
4 16 0 937.33 788.89 126.34 o
6 16 0 138.06 44.71 122.18 o
8 16 0 2206.00 2552.55 193.25 o
10 16 0 227.91 92.73 152.59 o
-9 17 0 3361.09 3580.23 173.53 o
-7 17 0 19.85 41.62 108.00 o
-5 17 0 459.98 419.15 140.53 o
-3 17 0 682.09 662.44 137.87 o
1 17 0 871.62 942.12 126.13 o
3 17 0 17.74 17.07 113.75 o
5 17 0 2364.33 2780.05 186.31 o
7 17 0 3151.62 3323.40 222.91 o
9 17 0 2854.26 3007.01 219.71 o
-6 18 0 1213.17 1375.43 131.49 o
-4 18 0 2757.99 3020.89 202.10 o
2 18 0 68.38 148.54 123.35 o
4 18 0 2432.49 2279.16 177.77 o
6 18 0 288.69 180.87 144.48 o
3 19 0 129.66 88.89 135.52 o
-1 2 1 5303.96 5676.62 55.19 o
1 2 1 50.22 70.60 6.25 o
-2 3 1 2568.87 2520.42 31.27 o
0 3 1 1877.15 1838.47 21.88 o
2 3 1 37027.41 39504.55 359.45 o
-3 4 1 5534.50 5799.51 63.58 o
-1 4 1 28573.52 30484.03 298.02 o
1 4 1 39615.88 41739.64 355.47 o
3 4 1 11565.48 11890.50 106.46 o
-4 5 1 1930.21 2226.56 39.43 o
-2 5 1 42372.07 44193.09 430.65 o
0 5 1 20.78 21.78 11.45 o
2 5 1 3926.08 3883.73 38.17 o
4 5 1 2210.24 2387.00 33.64 o
-5 6 1 19896.18 19446.36 262.24 o
-3 6 1 3711.06 4112.83 75.27 o
-1 6 1 1684.01 1768.09 23.91 o
1 6 1 1126.68 1205.11 18.57 o
3 6 1 4740.14 4488.99 47.16 o
5 6 1 483.75 423.77 23.20 o
-6 7 1 18689.75 18895.53 229.06 o
-4 7 1 27421.01 27538.05 365.14 o
-2 7 1 3338.14 3941.09 56.85 o
0 7 1 26509.08 28387.63 234.33 o
2 7 1 8675.20 8882.69 79.15 o
4 7 1 14990.23 14817.46 152.37 o
6 7 1 558.80 481.74 23.43 o
-7 8 1 253.20 278.37 31.26 o
-5 8 1 12264.75 12504.49 243.50 o
-3 8 1 324.72 294.05 58.29 o
-1 8 1 19400.08 19911.95 199.04 o
1 8 1 7245.33 7109.51 69.60 o
3 8 1 10422.93 10507.61 104.40 o
5 8 1 571.82 632.47 23.18 o
7 8 1 5611.55 5817.25 100.33 o
-8 9 1 9652.08 9134.87 116.77 o
-6 9 1 597.20 587.23 40.21 o
-4 9 1 6134.19 6017.61 146.09 o
-2 9 1 79.12 32.95 19.22 o
0 9 1 26725.28 27259.36 271.35 o
2 9 1 75.51 91.83 15.41 o
4 9 1 14981.03 15111.10 157.90 o
6 9 1 244.97 238.86 23.56 o
8 9 1 10864.49 10460.06 129.88 o
-9 10 1 706.59 656.24 41.75 o
-7 10 1 904.30 1031.35 39.28 o
-5 10 1 33.12 38.70 26.28 o
-3 10 1 10338.49 10210.42 132.07 o
-1 10 1 577.89 537.52 24.15 o
1 10 1 3110.45 3171.75 48.85 o
3 10 1 1319.98 1382.52 32.68 o
5 10 1 22373.11 22105.03 244.49 o
7 10 1 766.92 810.28 38.96 o
9 10 1 396.58 299.68 51.01 o
-10 11 1 1.59 -55.05 55.05 o
-8 11 1 2419.94 2614.48 68.32 o
-6 11 1 20749.35 19835.81 247.31 o
-4 11 1 8040.96 7819.51 124.28 o
-2 11 1 81.97 60.51 25.01 o
0 11 1 1848.89 1830.89 39.15 o
2 11 1 6811.86 6661.67 99.27 o
4 11 1 7531.91 7646.91 99.12 o
6 11 1 162.48 203.55 28.26 o
8 11 1 3033.24 3106.53 86.77 o
10 11 1 5217.63 5138.56 116.21 o
-11 12 1 550.02 515.98 69.48 o
-9 12 1 73.67 96.10 58.45 o
-7 12 1 10590.79 10396.48 198.42 o
-5 12 1 29.79 19.36 39.04 o
-3 12 1 96.92 133.23 32.94 o
-1 12 1 578.76 612.07 33.38 o
1 12 1 20069.69 19457.34 238.00 o
3 12 1 956.18 879.02 55.72 o
5 12 1 666.94 694.80 38.87 o
7 12 1 2226.58 2190.60 71.18 o
9 12 1 11437.51 11382.31 185.93 o
11 12 1 2877.92 2834.06 95.37 o
-12 13 1 51.72 45.06 71.71 o
-10 13 1 5584.25 5371.09 189.84 o
-8 13 1 545.03 532.86 64.67 o
-6 13 1 313.22 270.91 64.56 o
-4 13 1 0.16 -11.33 64.59 o
-2 13 1 19214.82 18696.62 232.19 o
0 13 1 778.94 745.41 43.13 o
2 13 1 875.81 897.18 40.09 o
4 13 1 803.32 720.99 46.46 o
6 13 1 4398.26 4314.04 96.58 o
8 13 1 92.31 77.02 53.99 o
10 13 1 3381.27 3134.58 101.79 o
12 13 1 295.23 188.34 73.47 o
-13 14 1 2563.55 2731.12 127.03 o
-11 14 1 1721.32 1796.88 92.17 o
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-5 14 1 2416.12 2534.38 97.17 o
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-1 14 1 12012.20 11524.02 201.81 o
1 14 1 8.87 19.75 41.03 o
3 14 1 8157.94 7968.79 153.31 o
5 14 1 100.67 55.70 70.80 o
7 14 1 4273.90 3984.45 118.90 o
9 14 1 46.99 35.17 71.34 o
11 14 1 1483.61 1471.56 98.98 o
13 14 1 271.56 391.48 118.16 o
-10 15 1 331.53 228.73 77.70 o
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-2 15 1 2432.94 2608.11 92.10 o
0 15 1 301.15 259.05 53.85 o
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6 15 1 471.63 540.21 86.68 o
8 15 1 2.40 22.43 90.31 o
10 15 1 785.53 712.82 110.53 o
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-3 16 1 236.91 320.43 84.58 o
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1 16 1 583.54 580.58 77.15 o
3 16 1 5272.54 5215.68 159.04 o
5 16 1 338.91 337.90 135.73 o
7 16 1 739.63 824.18 102.19 o
9 16 1 1110.71 1216.33 121.43 o
-8 17 1 1927.81 2340.83 135.90 o
-6 17 1 53.63 -35.00 82.59 o
-4 17 1 1641.00 1517.51 113.21 o
-2 17 1 231.66 314.15 125.38 o
0 17 1 4128.96 4118.58 194.63 o
2 17 1 18.91 -106.39 106.39 o
4 17 1 7.14 37.53 84.28 o
6 17 1 1.17 -62.50 91.36 o
8 17 1 4289.74 4523.09 178.25 o
-5 18 1 1456.55 1757.85 108.58 o
-3 18 1 4686.98 4763.74 253.54 o
1 18 1 27.35 -111.40 111.40 o
3 18 1 698.86 915.44 139.89 o
5 18 1 2953.54 3306.30 156.48 o
2 19 1 953.10 1127.26 149.60 o
1 1 2 16159.09 16854.72 167.36 o
0 2 2 1596.11 1512.38 21.20 o
2 2 2 33187.38 33698.49 328.89 o
-1 3 2 1613.70 1438.99 36.72 o
1 3 2 35388.14 35177.78 343.29 o
3 3 2 8970.73 8982.00 94.62 o
-2 4 2 22258.85 23307.42 250.33 o
0 4 2 371.24 358.67 13.82 o
2 4 2 25462.16 25676.33 253.78 o
4 4 2 480.48 650.41 18.37 o
-3 5 2 12539.96 12900.27 144.66 o
-1 5 2 14743.53 15012.74 165.86 o
1 5 2 1029.10 985.21 19.00 o
3 5 2 1069.02 1134.69 23.92 o
5 5 2 6250.45 6530.73 89.55 o
-4 6 2 13670.80 14672.81 180.45 o
-2 6 2 6677.24 5938.99 69.20 o
0 6 2 1116.09 1167.49 26.17 o
2 6 2 7189.21 6935.78 72.20 o
4 6 2 20954.76 21509.66 233.75 o
6 6 2 9921.95 9721.87 127.05 o
-5 7 2 20341.54 20685.04 250.42 o
-3 7 2 766.21 895.63 43.62 o
-1 7 2 1803.88 1858.36 31.40 o
1 7 2 66.95 91.80 19.42 o
3 7 2 27258.73 27336.56 272.70 o
5 7 2 2214.66 2270.47 42.97 o
7 7 2 35.67 62.03 31.94 o
-6 8 2 1149.12 1063.09 45.50 o
-4 8 2 501.66 674.79 38.48 o
-2 8 2 476.92 507.53 30.57 o
0 8 2 17396.11 17078.76 202.60 o
2 8 2 191.22 203.23 17.94 o
4 8 2 2329.82 2197.56 54.23 o
6 8 2 44.87 43.25 20.17 o
8 8 2 9496.40 9253.11 187.36 o
-7 9 2 394.30 403.57 43.18 o
-5 9 2 3946.62 4215.15 86.04 o
-3 9 2 13954.72 14355.75 181.04 o
-1 9 2 9927.13 9714.58 113.92 o
1 9 2 4690.58 4804.76 83.14 o
3 9 2 466.69 594.21 35.45 o
5 9 2 3217.00 3175.74 69.99 o
7 9 2 744.95 719.34 30.92 o
9 9 2 7788.10 7769.33 116.69 o
-8 10 2 411.05 418.88 60.52 o
-6 10 2 569.84 554.00 45.62 o
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-2 10 2 1965.71 1921.82 39.90 o
0 10 2 1670.25 1684.33 49.89 o
2 10 2 2447.26 2546.64 83.40 o
4 10 2 7443.17 7416.67 112.44 o
6 10 2 8392.23 7954.48 103.38 o
8 10 2 3040.69 2850.03 95.81 o
10 10 2 91.97 86.30 53.03 o
-9 11 2 0.18 22.42 54.10 o
-7 11 2 8664.52 8428.34 169.11 o
-5 11 2 835.19 737.51 50.47 o
-3 11 2 2716.50 2700.63 58.59 o
-1 11 2 1259.74 1415.09 40.90 o
1 11 2 14182.02 14271.32 233.07 o
3 11 2 558.11 633.83 60.17 o
5 11 2 9585.81 9304.92 117.85 o
7 11 2 325.54 278.62 46.96 o
9 11 2 446.56 538.31 58.00 o
11 11 2 392.42 445.88 65.04 o
-10 12 2 5077.31 5075.40 122.37 o
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-6 12 2 4299.76 4069.31 212.31 o
-4 12 2 71.37 53.32 51.83 o
-2 12 2 1793.23 1808.47 52.01 o
0 12 2 43.05 74.16 32.77 o
2 12 2 11182.35 10940.79 189.59 o
4 12 2 24.89 21.02 33.08 o
6 12 2 243.31 320.48 38.69 o
8 12 2 47.76 -32.41 56.73 o
10 12 2 5789.11 6017.82 128.45 o
12 12 2 115.03 -2.67 67.54 o
-11 13 2 4234.07 4273.11 120.08 o
-9 13 2 1291.84 1347.09 78.28 o
-7 13 2 3291.08 3036.55 111.44 o
-5 13 2 205.69 262.25 63.30 o
-3 13 2 2821.08 2761.92 84.18 o
-1 13 2 2709.32 2513.96 80.65 o
1 13 2 437.08 518.01 48.80 o
3 13 2 594.08 553.02 52.62 o
5 13 2 2847.27 2715.59 78.79 o
7 13 2 5903.62 5746.17 138.70 o
9 13 2 1770.42 1641.73 96.51 o
11 13 2 551.29 574.48 83.97 o
13 13 2 112.86 45.20 115.63 o
-12 14 2 286.89 373.92 80.35 o
-10 14 2 3034.86 2903.32 141.48 o
-8 14 2 15.26 -25.70 72.60 o
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0 14 2 106.75 74.96 94.15 o
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6 14 2 9218.41 8878.81 178.45 o
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10 14 2 76.78 152.85 94.66 o
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2 16 2 1095.16 1391.78 122.93 o
4 16 2 491.62 393.75 114.18 o
6 16 2 8.41 118.23 119.09 o
8 16 2 2818.15 2781.92 139.30 o
10 16 2 160.27 244.99 110.45 o
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-5 17 2 363.32 455.25 86.17 o
-3 17 2 995.40 1296.91 117.78 o
-1 17 2 4210.50 4126.57 143.91 o
1 17 2 1102.26 1157.77 125.27 o
3 17 2 207.36 223.98 114.28 o
5 17 2 953.95 1144.86 144.91 o
7 17 2 2522.75 2592.14 188.98 o
-6 18 2 584.54 592.66 96.03 o
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-2 18 2 102.44 51.59 71.69 o
0 18 2 1242.12 1230.55 130.29 o
2 18 2 481.29 396.84 121.22 o
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-1 2 3 11156.21 11447.74 110.84 o
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0 3 3 1832.01 1592.53 26.42 o
2 3 3 40420.30 40410.66 396.28 o
-3 4 3 2688.96 2456.83 50.85 o
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1 4 3 23556.34 23190.13 231.66 o
3 4 3 1230.33 1099.41 27.57 o
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0 5 3 3573.94 3752.41 53.74 o
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3 6 3 2780.23 2176.20 147.95 o
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