#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:51:43 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181892 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/92/2239299.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_2239299
_cell_angle_alpha                90.000
_cell_angle_beta                 94.380
_cell_angle_gamma                90.000
_cell_length_a                   7.5390
_cell_length_b                   18.5510
_cell_length_c                   10.8060
_exptl_crystal_F_000             976.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            zs2293Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 12mayc_0m in P 21/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            362.07
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 131092.33 138769.70 1872.21 o
4 0 0 10781.09 10427.91 292.08 o
6 0 0 12737.79 12643.04 257.46 o
8 0 0 5456.79 5775.06 151.30 o
1 1 0 12817.73 12965.24 184.42 o
2 1 0 11004.35 11122.92 113.89 o
3 1 0 38748.00 39817.80 405.87 o
4 1 0 25746.89 26740.61 341.21 o
5 1 0 8046.80 7942.95 146.39 o
6 1 0 88.93 81.49 40.65 o
7 1 0 2763.36 2821.74 94.13 o
8 1 0 4234.79 4075.71 172.48 o
9 1 0 8235.08 8039.88 143.53 o
0 2 0 49494.57 49413.34 847.46 o
1 2 0 27219.48 28405.50 245.16 o
2 2 0 21656.14 22507.22 210.18 o
3 2 0 2.20 35.91 19.69 o
4 2 0 1405.59 1313.44 52.77 o
5 2 0 16995.23 16861.12 246.99 o
6 2 0 12064.34 11803.04 174.57 o
7 2 0 6698.92 6788.00 131.96 o
8 2 0 1518.92 1453.04 67.89 o
9 2 0 6.01 5.54 50.95 o
1 3 0 669.16 621.19 13.33 o
2 3 0 19844.43 19705.35 182.08 o
3 3 0 3314.73 3418.43 55.72 o
4 3 0 34427.64 34841.96 371.73 o
5 3 0 27.49 12.46 25.04 o
6 3 0 16.17 81.16 33.57 o
7 3 0 1268.56 1282.26 74.07 o
8 3 0 11372.20 11506.60 162.57 o
9 3 0 79.99 51.02 63.52 o
0 4 0 44440.37 45833.66 367.38 o
1 4 0 51120.20 52106.78 359.92 o
2 4 0 49.27 62.38 10.53 o
3 4 0 1047.60 1048.44 28.59 o
4 4 0 3434.42 3442.39 76.67 o
5 4 0 21321.06 21484.63 289.70 o
6 4 0 102.56 131.19 33.39 o
7 4 0 11344.48 11395.95 168.21 o
8 4 0 698.60 718.10 56.56 o
9 4 0 38.00 146.59 76.16 o
1 5 0 4224.36 4085.16 51.07 o
2 5 0 36651.58 35899.75 277.96 o
3 5 0 18713.88 18647.67 234.24 o
4 5 0 3518.54 3275.03 65.74 o
5 5 0 4961.45 4962.59 90.47 o
6 5 0 10.02 57.03 33.80 o
7 5 0 1466.42 1517.90 72.50 o
8 5 0 1556.88 1625.83 82.50 o
9 5 0 3171.58 2965.42 156.17 o
0 6 0 22191.34 21647.69 260.19 o
1 6 0 7928.26 7606.62 74.58 o
2 6 0 15713.42 15558.95 137.43 o
3 6 0 132.50 148.80 19.64 o
4 6 0 3281.27 3197.13 95.52 o
5 6 0 3677.19 3572.95 75.97 o
6 6 0 25098.65 25248.58 283.87 o
7 6 0 2919.12 2830.49 90.44 o
8 6 0 3042.50 3045.65 99.88 o
1 7 0 13324.66 12884.45 117.12 o
2 7 0 4055.83 4210.21 80.72 o
3 7 0 47551.51 48319.89 451.38 o
4 7 0 851.15 917.10 49.32 o
5 7 0 6705.87 6528.83 107.95 o
6 7 0 65.37 39.97 45.28 o
7 7 0 4508.14 4368.68 107.18 o
8 7 0 17.56 104.20 82.19 o
0 8 0 80676.25 85654.51 1337.82 o
1 8 0 7925.80 7722.48 105.83 o
2 8 0 42707.31 45452.44 472.10 o
3 8 0 268.32 235.51 26.10 o
4 8 0 1470.70 1459.32 56.90 o
5 8 0 1146.94 1318.49 54.99 o
6 8 0 26748.68 26602.51 299.04 o
7 8 0 1861.33 1817.92 83.65 o
8 8 0 2150.57 2116.90 172.94 o
1 9 0 10824.21 10332.68 128.72 o
2 9 0 34496.29 34143.49 372.70 o
3 9 0 17957.91 17888.99 222.49 o
4 9 0 5579.71 5472.67 103.43 o
5 9 0 1125.21 1055.12 61.56 o
6 9 0 70.39 87.83 40.45 o
7 9 0 808.29 776.15 60.26 o
8 9 0 717.37 613.87 194.49 o
0 10 0 25861.44 26879.08 350.58 o
1 10 0 21645.34 20612.62 221.65 o
2 10 0 754.22 790.82 45.55 o
3 10 0 403.47 455.87 35.85 o
4 10 0 2364.01 2322.41 71.39 o
5 10 0 17146.76 17362.00 234.40 o
6 10 0 160.82 179.46 46.52 o
7 10 0 13147.33 13174.35 391.16 o
8 10 0 288.84 238.29 114.45 o
1 11 0 225.16 210.33 27.01 o
2 11 0 26724.07 27139.32 330.85 o
3 11 0 851.24 845.11 50.71 o
4 11 0 24430.26 24722.07 302.18 o
5 11 0 126.51 72.34 38.60 o
6 11 0 43.89 66.16 46.16 o
7 11 0 1.55 43.05 87.26 o
8 11 0 7513.83 7642.90 286.26 o
0 12 0 8682.75 9217.33 166.98 o
1 12 0 17905.44 17755.54 206.97 o
2 12 0 4276.55 4353.24 134.73 o
3 12 0 69.53 135.35 32.23 o
4 12 0 398.20 419.67 51.89 o
5 12 0 14972.65 15174.38 220.68 o
6 12 0 6109.42 6034.01 136.91 o
7 12 0 6461.61 6709.99 248.54 o
1 13 0 11210.10 11023.23 155.74 o
2 13 0 2861.58 2774.11 83.71 o
3 13 0 19960.99 19739.96 259.81 o
4 13 0 10034.74 9798.61 165.30 o
5 13 0 2252.18 2156.01 89.21 o
6 13 0 4.22 -39.10 73.09 o
7 13 0 267.74 294.16 108.12 o
0 14 0 49118.32 48737.07 1545.02 o
1 14 0 2374.77 2236.33 68.66 o
2 14 0 4546.51 4444.25 108.37 o
3 14 0 1203.20 1099.88 66.53 o
4 14 0 7705.37 7583.44 227.41 o
5 14 0 190.63 193.95 48.46 o
6 14 0 7553.99 7588.92 313.02 o
7 14 0 5.33 7.05 104.94 o
1 15 0 4588.12 4229.81 184.58 o
2 15 0 467.54 435.33 49.86 o
3 15 0 22621.72 22647.75 300.51 o
4 15 0 4048.38 3922.71 111.92 o
5 15 0 7055.36 7021.86 150.90 o
6 15 0 249.54 164.96 191.68 o
7 15 0 2589.19 2954.47 205.64 o
0 16 0 11993.44 12412.30 223.17 o
1 16 0 11223.22 11392.25 189.56 o
2 16 0 1750.91 1970.61 105.93 o
3 16 0 757.84 603.47 59.95 o
4 16 0 5852.88 5676.50 137.27 o
5 16 0 3181.32 3550.66 200.07 o
6 16 0 7928.18 7516.62 273.75 o
1 17 0 342.16 389.12 67.90 o
2 17 0 13925.16 13585.03 219.55 o
3 17 0 5049.32 4719.00 158.11 o
4 17 0 19145.03 18959.01 278.53 o
5 17 0 1411.52 1410.78 148.83 o
6 17 0 496.04 335.09 114.89 o
0 18 0 4407.54 4097.89 166.92 o
1 18 0 25375.08 25700.26 344.59 o
2 18 0 395.50 250.61 54.52 o
3 18 0 510.25 552.14 61.28 o
4 18 0 5.42 99.66 59.36 o
5 18 0 6916.49 6495.88 224.68 o
1 19 0 37.83 66.18 73.57 o
2 19 0 13637.41 13790.79 231.56 o
3 19 0 2788.39 2869.92 114.80 o
4 19 0 5257.56 5142.15 196.12 o
5 19 0 2611.33 2302.58 192.56 o
0 20 0 6852.47 7366.66 424.08 o
1 20 0 4063.00 3936.68 130.21 o
2 20 0 2634.43 2880.91 120.53 o
3 20 0 5.07 163.80 64.41 o
4 20 0 1382.63 1220.57 120.64 o
1 21 0 2479.25 2388.71 114.52 o
2 21 0 1015.75 1114.23 90.44 o
3 21 0 12313.14 12140.24 228.30 o
0 22 0 8488.76 9072.81 505.53 o
1 22 0 1625.88 1522.01 206.42 o
2 22 0 3479.07 3431.49 139.60 o
-9 0 1 2797.64 2843.35 133.73 o
-7 0 1 2875.79 2655.82 96.45 o
-5 0 1 23793.57 24474.54 608.04 o
-3 0 1 5331.08 4892.38 169.91 o
-1 0 1 24291.50 25415.26 201.52 o
1 0 1 82593.06 83207.09 701.91 o
3 0 1 7918.50 7864.19 121.05 o
5 0 1 13272.79 13747.77 256.97 o
7 0 1 11538.14 11556.92 345.44 o
9 0 1 3165.50 3179.41 163.26 o
-9 1 1 1391.56 1472.59 68.55 o
-8 1 1 13852.44 14238.59 176.89 o
-7 1 1 2222.70 2179.11 70.97 o
-6 1 1 2465.88 2475.17 87.97 o
-5 1 1 32.81 57.10 35.01 o
-4 1 1 19685.86 19969.03 287.46 o
-3 1 1 14730.28 14875.27 205.93 o
-2 1 1 35074.88 35750.89 294.75 o
-1 1 1 9816.31 9891.87 78.08 o
0 1 1 26855.60 28396.91 272.64 o
1 1 1 867.97 801.57 21.15 o
2 1 1 3416.97 3224.89 41.34 o
3 1 1 3477.98 3481.76 55.77 o
4 1 1 53148.11 55300.64 646.18 o
5 1 1 6543.07 6562.29 112.39 o
6 1 1 5746.33 5950.95 128.30 o
7 1 1 545.62 529.08 47.51 o
8 1 1 5016.05 4977.48 166.84 o
9 1 1 1746.33 1790.24 95.31 o
-9 2 1 675.54 625.34 60.16 o
-8 2 1 33.68 49.72 38.86 o
-7 2 1 875.66 815.97 57.95 o
-6 2 1 2757.97 2737.42 77.45 o
-5 2 1 8582.50 8454.05 130.99 o
-4 2 1 54445.34 57262.59 580.46 o
-3 2 1 3635.43 3470.07 61.67 o
-2 2 1 41906.59 44130.84 622.18 o
-1 2 1 9806.81 9671.27 82.60 o
0 2 1 17190.53 18511.76 187.34 o
1 2 1 27469.79 27787.92 346.39 o
2 2 1 9488.93 9051.44 81.72 o
3 2 1 4402.59 4429.67 64.41 o
4 2 1 11.39 50.46 24.04 o
5 2 1 2497.64 2568.73 75.67 o
6 2 1 2990.39 2896.01 80.70 o
7 2 1 7180.51 7099.58 127.64 o
8 2 1 10829.94 10869.44 172.86 o
9 2 1 584.30 595.20 65.15 o
-9 3 1 6164.65 6241.05 147.79 o
-8 3 1 52.77 46.74 44.54 o
-7 3 1 11384.60 11689.00 184.81 o
-6 3 1 20.75 14.50 31.42 o
-5 3 1 498.00 468.84 36.16 o
-4 3 1 7763.10 8140.08 117.50 o
-3 3 1 49888.02 51748.37 517.89 o
-2 3 1 103393.91 108987.95 930.12 o
-1 3 1 57579.86 58516.15 379.92 o
0 3 1 9819.12 9673.40 81.86 o
1 3 1 658.20 615.81 17.92 o
2 3 1 8624.74 8393.17 234.03 o
3 3 1 29786.31 30149.42 284.44 o
4 3 1 338.56 327.59 27.29 o
5 3 1 27400.77 27819.03 325.15 o
6 3 1 28.31 16.40 41.24 o
7 3 1 18.73 17.93 34.55 o
8 3 1 7.69 10.42 43.50 o
9 3 1 8945.85 9009.04 329.07 o
-9 4 1 37.36 16.27 58.27 o
-8 4 1 110.66 72.26 59.38 o
-7 4 1 206.68 289.26 45.02 o
-6 4 1 40838.63 40540.99 449.65 o
-5 4 1 952.73 972.70 47.33 o
-4 4 1 61174.62 64213.60 646.76 o
-3 4 1 860.73 801.60 31.38 o
-2 4 1 4738.16 4731.98 50.36 o
-1 4 1 46.85 39.79 6.40 o
0 4 1 36875.68 37067.49 221.52 o
1 4 1 5706.82 5528.03 71.21 o
2 4 1 67402.74 70227.36 553.41 o
3 4 1 327.59 308.38 21.71 o
4 4 1 774.71 766.85 41.81 o
5 4 1 626.15 541.64 42.91 o
6 4 1 15978.27 16283.74 248.40 o
7 4 1 16.97 92.73 40.03 o
8 4 1 6765.71 6687.84 135.08 o
9 4 1 430.08 612.33 81.30 o
-9 5 1 3415.27 3516.97 194.37 o
-8 5 1 5607.48 5486.41 123.85 o
-7 5 1 8034.56 8078.54 161.74 o
-6 5 1 737.58 675.45 45.57 o
-5 5 1 115.61 133.95 27.77 o
-4 5 1 12220.21 12409.76 162.26 o
-3 5 1 24648.63 24834.89 270.96 o
-2 5 1 28666.37 29405.98 246.04 o
-1 5 1 46207.79 46822.03 308.92 o
0 5 1 9032.43 8791.48 69.24 o
1 5 1 592.50 579.53 20.68 o
2 5 1 2094.43 2068.74 40.31 o
3 5 1 39993.37 41022.29 376.18 o
4 5 1 16084.02 16100.75 163.65 o
5 5 1 13484.45 13363.98 167.80 o
6 5 1 2816.44 2815.40 77.74 o
7 5 1 758.32 891.36 79.31 o
8 5 1 1182.38 1269.61 70.99 o
-8 6 1 75.30 96.96 67.19 o
-7 6 1 2302.93 2249.90 80.80 o
-6 6 1 11168.17 11322.48 189.75 o
-5 6 1 19027.35 18580.41 258.19 o
-4 6 1 3996.36 4154.48 87.37 o
-3 6 1 11492.02 11001.16 115.58 o
-2 6 1 113.51 166.74 13.36 o
-1 6 1 19295.56 18951.77 146.94 o
0 6 1 622.10 672.16 19.71 o
1 6 1 55124.84 55844.27 496.35 o
2 6 1 11217.75 10761.60 154.52 o
3 6 1 10218.12 10340.22 122.52 o
4 6 1 224.33 218.51 29.24 o
5 6 1 1943.23 1915.66 61.79 o
6 6 1 10297.74 10273.10 152.20 o
7 6 1 12908.12 13182.70 186.95 o
8 6 1 1763.88 1901.68 106.45 o
-8 7 1 4782.71 4822.11 154.48 o
-7 7 1 16.29 -2.27 43.16 o
-6 7 1 3907.18 3931.93 90.40 o
-5 7 1 266.78 246.56 31.50 o
-4 7 1 7704.73 7622.81 274.22 o
-3 7 1 503.43 563.58 26.27 o
-2 7 1 100769.65 104013.95 761.44 o
-1 7 1 1216.78 1221.90 28.47 o
0 7 1 7875.81 7303.63 76.49 o
1 7 1 1468.91 1334.10 48.30 o
2 7 1 36227.19 36982.60 345.79 o
3 7 1 161.01 112.33 22.06 o
4 7 1 21599.29 21939.62 260.07 o
5 7 1 358.05 397.57 37.09 o
6 7 1 5883.89 5814.80 121.19 o
7 7 1 11.77 17.92 48.24 o
8 7 1 838.12 921.17 96.98 o
-8 8 1 27.19 94.19 73.12 o
-7 8 1 3606.48 3611.27 101.09 o
-6 8 1 8013.13 7853.07 132.21 o
-5 8 1 22150.29 22148.07 251.67 o
-4 8 1 891.09 882.09 36.43 o
-3 8 1 3360.13 3179.13 54.63 o
-2 8 1 1675.97 1633.23 34.51 o
-1 8 1 16514.28 16312.70 144.82 o
0 8 1 2762.19 2934.08 50.88 o
1 8 1 39889.57 40212.74 421.24 o
2 8 1 13057.78 13278.25 170.00 o
3 8 1 11544.59 11320.87 154.94 o
4 8 1 299.02 370.24 34.41 o
5 8 1 5094.47 5313.70 107.76 o
6 8 1 3910.68 3819.99 101.45 o
7 8 1 16889.30 17064.90 287.80 o
8 8 1 464.83 499.65 125.38 o
-8 9 1 5138.22 5562.49 324.10 o
-7 9 1 5025.47 5242.91 150.28 o
-6 9 1 2789.00 2818.48 82.75 o
-5 9 1 99.09 91.42 32.14 o
-4 9 1 2493.56 2402.23 61.16 o
-3 9 1 14980.88 14871.77 159.20 o
-2 9 1 19053.18 18508.96 223.80 o
-1 9 1 23015.34 23199.08 239.67 o
0 9 1 10369.89 10435.68 120.36 o
1 9 1 15.05 -12.33 21.82 o
2 9 1 5392.72 5202.70 94.38 o
3 9 1 26482.66 26537.57 303.95 o
4 9 1 18574.31 18756.70 253.56 o
5 9 1 10602.14 10865.46 167.92 o
6 9 1 1482.44 1571.25 78.33 o
7 9 1 19.84 -22.36 55.00 o
8 9 1 1310.91 1594.94 176.93 o
-8 10 1 34.26 75.51 94.68 o
-7 10 1 312.49 473.47 78.44 o
-6 10 1 18864.53 19116.60 238.46 o
-5 10 1 2331.56 2335.99 70.13 o
-4 10 1 18384.57 18233.29 215.04 o
-3 10 1 249.52 267.30 30.83 o
-2 10 1 238.85 369.20 29.44 o
-1 10 1 112.73 133.72 23.92 o
0 10 1 12514.49 11789.74 153.02 o
1 10 1 5022.21 4718.92 96.68 o
2 10 1 30076.13 29648.00 336.22 o
3 10 1 1388.92 1336.27 61.21 o
4 10 1 1128.64 1117.72 57.39 o
5 10 1 2898.97 2944.38 86.73 o
6 10 1 14357.68 14140.91 211.08 o
7 10 1 1058.29 1221.25 91.21 o
8 10 1 7365.58 7365.72 414.25 o
-8 11 1 388.61 252.20 112.81 o
-7 11 1 6733.68 7117.38 179.67 o
-6 11 1 88.93 58.51 65.06 o
-5 11 1 293.64 299.84 37.81 o
-4 11 1 1425.04 1281.57 105.80 o
-3 11 1 31335.37 31781.54 364.80 o
-2 11 1 765.12 701.72 40.78 o
-1 11 1 45301.05 44623.49 428.69 o
0 11 1 1293.48 1469.75 45.65 o
1 11 1 535.99 581.24 44.11 o
2 11 1 3906.01 3962.98 91.56 o
3 11 1 20840.49 20843.81 260.21 o
4 11 1 388.73 396.22 52.50 o
5 11 1 13669.98 13454.80 198.20 o
6 11 1 234.36 246.19 80.26 o
7 11 1 636.74 478.13 67.45 o
8 11 1 960.37 1062.97 136.94 o
-7 12 1 3242.57 3069.66 270.41 o
-6 12 1 4891.88 4966.45 162.80 o
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-4 12 1 29119.38 28946.99 346.67 o
-3 12 1 184.96 173.73 43.58 o
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-1 12 1 1609.37 1627.80 55.98 o
0 12 1 32284.08 31794.29 295.57 o
1 12 1 7240.24 7454.43 131.01 o
2 12 1 13072.29 12980.99 188.44 o
3 12 1 6279.09 6257.50 120.75 o
4 12 1 91.61 115.88 42.16 o
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6 12 1 4796.97 4897.32 137.80 o
7 12 1 5467.32 5308.17 230.68 o
-7 13 1 5615.26 5608.14 384.76 o
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-5 13 1 192.86 212.16 45.96 o
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5 14 1 6044.09 5968.67 134.74 o
6 14 1 396.70 535.70 87.54 o
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-7 15 1 30.14 205.29 117.22 o
-6 15 1 3444.97 3378.57 165.34 o
-5 15 1 7.85 33.23 88.82 o
-4 15 1 4888.82 4906.50 121.60 o
-3 15 1 3718.91 3711.55 106.61 o
-2 15 1 14472.80 14725.24 195.50 o
-1 15 1 4058.03 3888.38 104.89 o
0 15 1 6411.52 6411.11 191.32 o
1 15 1 603.45 653.06 52.60 o
2 15 1 2333.56 2344.98 85.32 o
3 15 1 528.23 480.06 51.27 o
4 15 1 23434.64 23560.76 312.78 o
5 15 1 611.01 623.29 60.65 o
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-6 16 1 2074.32 1988.46 136.60 o
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0 16 1 14910.51 15057.75 227.56 o
1 16 1 19060.78 19349.51 270.52 o
2 16 1 5993.30 6218.81 135.90 o
3 16 1 822.35 904.29 64.14 o
4 16 1 7.60 71.31 48.91 o
5 16 1 1135.55 1411.71 139.24 o
6 16 1 1945.54 2075.23 263.30 o
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-1 17 1 9557.69 9654.19 182.30 o
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