#------------------------------------------------------------------------------
#$Date: 2021-04-27 08:02:32 +0300 (Tue, 27 Apr 2021) $
#$Revision: 264572 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022367.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_2022367
_cell_angle_alpha                90.547
_cell_angle_beta                 100.667
_cell_angle_gamma                113.489
_cell_length_a                   6.2861
_cell_length_b                   7.5366
_cell_length_c                   13.4963
_exptl_crystal_F_000             512.00
_reflns_d_resolution_high        0.7500
_cod_data_source_file            ky3203Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' a  P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            193.37
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0 0 9222.26 9529.74 157.01 o
2 0 0 13.66 15.43 5.38 o
3 0 0 1607.26 1806.64 43.56 o
4 0 0 3045.42 3007.49 68.45 o
5 0 0 2944.36 3049.07 111.25 o
6 0 0 3960.96 4096.54 147.02 o
7 0 0 2031.52 2012.75 102.37 o
-7 1 0 996.83 959.93 76.16 o
-6 1 0 9.04 4.15 16.38 o
-5 1 0 2120.18 2178.57 67.61 o
-4 1 0 1943.64 1940.94 49.31 o
-3 1 0 14485.83 14853.94 252.10 o
-2 1 0 3583.77 3536.82 66.14 o
-1 1 0 817.79 814.15 24.53 o
0 1 0 329.21 327.08 9.13 o
1 1 0 113.57 183.95 8.91 o
2 1 0 2339.09 2249.18 48.76 o
3 1 0 5288.93 5088.38 100.21 o
4 1 0 3993.10 4053.80 104.34 o
5 1 0 592.19 617.94 53.14 o
6 1 0 489.36 545.17 56.83 o
7 1 0 261.68 300.98 47.65 o
-8 2 0 134.16 131.20 37.31 o
-7 2 0 1150.17 1270.06 99.22 o
-6 2 0 10854.83 11091.31 302.78 o
-5 2 0 6056.02 6117.16 123.87 o
-4 2 0 1526.39 1612.70 43.46 o
-3 2 0 996.15 1104.22 30.69 o
-2 2 0 17491.83 18075.06 343.27 o
-1 2 0 4529.21 4610.68 82.81 o
0 2 0 18290.93 18075.14 295.59 o
1 2 0 4471.11 3947.16 74.26 o
2 2 0 502.28 570.25 19.96 o
3 2 0 224.05 198.60 45.49 o
4 2 0 50.40 23.27 15.77 o
5 2 0 3450.52 3523.29 132.63 o
6 2 0 3667.98 3682.00 146.69 o
-7 3 0 256.34 279.57 47.60 o
-6 3 0 2.71 8.40 16.58 o
-5 3 0 4253.11 4256.39 93.32 o
-4 3 0 4383.77 4392.03 90.74 o
-3 3 0 2434.95 2339.82 52.89 o
-2 3 0 6162.53 5750.08 105.71 o
-1 3 0 1121.18 1053.81 27.44 o
0 3 0 272.04 243.76 13.66 o
1 3 0 201.86 152.59 11.87 o
2 3 0 9046.21 8868.51 161.05 o
3 3 0 2243.23 2349.25 73.82 o
4 3 0 4751.09 4460.90 152.19 o
5 3 0 790.08 716.94 62.89 o
6 3 0 88.03 58.66 30.18 o
-6 4 0 7017.49 7116.64 172.55 o
-5 4 0 1453.59 1449.74 49.55 o
-4 4 0 62.21 86.25 15.45 o
-3 4 0 291.15 337.98 18.74 o
-2 4 0 538.28 496.07 32.42 o
-1 4 0 11272.49 11337.70 174.79 o
0 4 0 8707.86 8829.17 141.36 o
1 4 0 9128.27 8808.58 160.69 o
2 4 0 155.44 145.22 18.64 o
3 4 0 56.17 32.78 12.26 o
4 4 0 237.22 220.26 41.42 o
5 4 0 3274.77 3363.34 140.36 o
-7 5 0 490.05 514.68 78.54 o
-6 5 0 246.33 250.06 66.81 o
-5 5 0 13.76 33.35 18.82 o
-4 5 0 12825.81 11934.21 896.68 o
-3 5 0 1907.18 1917.70 61.58 o
-2 5 0 5937.64 6031.10 117.73 o
-1 5 0 3117.13 3108.74 68.29 o
0 5 0 352.72 368.94 22.67 o
1 5 0 11.17 6.50 8.91 o
2 5 0 5659.24 5582.04 139.51 o
3 5 0 4959.51 5103.55 140.29 o
4 5 0 1878.95 1987.39 99.70 o
-8 6 0 193.32 177.36 60.12 o
-7 6 0 2825.24 2838.85 120.97 o
-6 6 0 2254.52 2262.74 100.19 o
-5 6 0 3935.02 3768.48 134.96 o
-4 6 0 66.28 59.75 15.10 o
-3 6 0 0.59 -4.80 8.97 o
-2 6 0 455.95 450.81 32.20 o
-1 6 0 6320.05 5881.52 140.66 o
0 6 0 6106.21 6128.39 146.63 o
1 6 0 1745.44 1810.80 64.50 o
2 6 0 198.30 234.80 28.51 o
3 6 0 262.16 229.04 55.12 o
4 6 0 367.27 419.80 56.37 o
-7 7 0 399.47 336.82 56.30 o
-6 7 0 90.90 73.11 27.01 o
-5 7 0 479.35 477.38 59.83 o
-4 7 0 5624.77 5256.58 173.71 o
-3 7 0 4809.44 4711.62 128.14 o
-2 7 0 1664.79 1679.79 88.01 o
-1 7 0 2706.60 2728.44 84.88 o
0 7 0 0.06 4.97 12.10 o
1 7 0 765.27 762.03 64.63 o
2 7 0 2667.75 2693.96 165.08 o
3 7 0 2605.91 2556.95 186.81 o
-7 8 0 2390.31 2195.24 115.53 o
-6 8 0 3755.03 3660.73 147.82 o
-5 8 0 2187.17 2006.54 98.98 o
-4 8 0 703.00 664.17 83.93 o
-3 8 0 2.52 -12.41 12.41 o
-2 8 0 2013.06 2016.64 149.19 o
-1 8 0 2948.66 3003.65 95.77 o
0 8 0 4372.77 4663.90 166.49 o
1 8 0 676.65 700.69 89.59 o
-6 9 0 6.48 1.54 24.03 o
-5 9 0 747.59 740.57 74.73 o
-4 9 0 1651.32 1718.12 125.76 o
-3 9 0 3666.30 3320.65 134.91 o
-2 9 0 224.72 244.14 41.21 o
-1 9 0 1555.55 1301.80 127.90 o
0 9 0 265.12 164.69 55.45 o
-4 10 0 71.94 54.55 56.10 o
-3 10 0 7.47 22.92 20.92 o
3 -10 1 1273.64 1367.43 101.21 o
0 -9 1 400.74 326.78 70.83 o
1 -9 1 3212.94 3275.56 184.36 o
2 -9 1 1176.62 1417.28 105.24 o
3 -9 1 1986.43 2054.91 102.68 o
4 -9 1 154.77 77.81 38.07 o
5 -9 1 167.00 154.24 53.61 o
6 -9 1 1471.56 1327.02 100.39 o
-1 -8 1 1134.41 1070.98 110.41 o
0 -8 1 1360.38 1457.28 64.20 o
1 -8 1 279.94 270.44 67.99 o
2 -8 1 769.86 714.36 61.65 o
3 -8 1 1893.98 2143.81 98.82 o
4 -8 1 5229.38 4960.29 184.53 o
5 -8 1 1585.94 1426.07 88.19 o
6 -8 1 33.57 10.92 22.06 o
7 -8 1 57.29 42.33 28.54 o
-3 -7 1 1003.30 1181.69 142.82 o
-2 -7 1 0.53 3.34 21.70 o
-1 -7 1 754.64 748.81 62.59 o
0 -7 1 286.32 350.20 32.36 o
1 -7 1 7641.60 7719.37 181.59 o
2 -7 1 9704.30 9657.03 271.47 o
3 -7 1 3846.56 3740.86 134.72 o
4 -7 1 1.50 -8.59 13.21 o
5 -7 1 3045.29 2890.19 119.29 o
6 -7 1 2556.44 2694.42 119.62 o
7 -7 1 3224.30 3215.13 136.65 o
-4 -6 1 273.77 307.46 88.02 o
-3 -6 1 2281.90 2284.49 105.98 o
-2 -6 1 5926.09 6026.25 186.00 o
-1 -6 1 3647.79 3804.76 105.39 o
0 -6 1 718.75 790.55 33.12 o
1 -6 1 206.08 273.56 25.48 o
2 -6 1 1426.93 1448.18 52.49 o
3 -6 1 1774.55 1820.81 64.53 o
4 -6 1 1910.84 1997.60 87.54 o
5 -6 1 2791.19 2664.51 108.41 o
6 -6 1 469.08 480.59 50.20 o
7 -6 1 107.77 59.00 28.63 o
-4 -5 1 1567.68 1688.28 90.01 o
-3 -5 1 805.72 765.79 64.01 o
-2 -5 1 711.14 696.95 42.42 o
-1 -5 1 5959.87 6056.29 121.21 o
0 -5 1 8697.29 8700.10 160.21 o
1 -5 1 3388.15 3301.39 72.98 o
2 -5 1 5627.70 5684.01 112.76 o
3 -5 1 161.09 148.35 17.98 o
4 -5 1 246.37 259.19 46.40 o
5 -5 1 611.63 603.69 51.17 o
6 -5 1 1577.06 1687.96 114.74 o
7 -5 1 1891.73 1874.45 92.06 o
-5 -4 1 87.30 52.17 24.71 o
-4 -4 1 689.28 663.61 66.20 o
-3 -4 1 6452.52 6139.70 188.22 o
-2 -4 1 4752.90 4596.28 114.03 o
-1 -4 1 2911.41 2747.56 61.55 o
0 -4 1 14.03 7.31 5.14 o
1 -4 1 1035.37 1098.96 36.04 o
2 -4 1 66.77 101.02 10.69 o
3 -4 1 6287.83 6122.86 117.94 o
4 -4 1 6432.46 6192.71 122.78 o
5 -4 1 8020.31 8004.26 156.90 o
6 -4 1 1399.23 1501.61 58.35 o
-6 -3 1 3093.63 3161.45 137.43 o
-5 -3 1 2927.52 2912.47 134.82 o
-4 -3 1 6858.27 6651.72 203.07 o
-3 -3 1 225.56 254.40 34.61 o
-2 -3 1 33.36 28.18 7.76 o
-1 -3 1 1162.21 1092.18 29.92 o
0 -3 1 8662.28 8223.24 143.40 o
1 -3 1 6312.58 6442.31 103.56 o
2 -3 1 9146.89 8656.44 183.06 o
3 -3 1 6820.20 6868.44 127.40 o
4 -3 1 15.69 18.94 7.48 o
5 -3 1 2153.86 2252.70 60.24 o
6 -3 1 2949.33 3117.31 80.22 o
7 -3 1 2383.03 2348.86 142.55 o
-6 -2 1 32.64 25.50 21.10 o
-5 -2 1 23.90 15.87 15.05 o
-4 -2 1 203.62 229.55 31.30 o
-3 -2 1 3129.30 2969.30 67.38 o
-2 -2 1 11366.72 10255.54 203.09 o
-1 -2 1 14614.32 13795.78 206.72 o
0 -2 1 5128.99 5316.43 93.00 o
1 -2 1 294.35 338.09 13.47 o
2 -2 1 684.90 857.87 23.97 o
3 -2 1 8656.12 8637.92 154.08 o
4 -2 1 7253.42 7359.39 138.85 o
5 -2 1 5166.48 5255.33 110.43 o
6 -2 1 957.58 907.94 100.37 o
7 -2 1 91.52 105.46 31.96 o
-7 -1 1 1246.08 1235.76 95.87 o
-6 -1 1 3094.24 3032.95 123.79 o
-5 -1 1 869.13 803.76 60.76 o
-4 -1 1 6004.09 6061.46 141.28 o
-3 -1 1 1393.02 1255.19 41.06 o
-2 -1 1 628.50 571.10 25.28 o
-1 -1 1 2654.11 2582.04 59.00 o
0 -1 1 12512.48 13366.79 216.81 o
1 -1 1 10654.91 10193.72 358.82 o
2 -1 1 7119.38 7146.74 124.73 o
3 -1 1 1481.89 1405.64 36.27 o
4 -1 1 35.94 31.37 8.74 o
5 -1 1 4193.75 4131.37 108.10 o
6 -1 1 2782.37 2808.48 112.08 o
7 -1 1 2414.39 2546.98 113.50 o
-7 0 1 1769.70 1749.77 94.65 o
-6 0 1 2307.12 2273.27 100.33 o
-5 0 1 361.61 375.87 39.01 o
-4 0 1 3082.14 3110.89 69.43 o
-3 0 1 7438.58 7523.68 135.75 o
-2 0 1 30201.55 30196.73 490.52 o
-1 0 1 4915.37 4999.80 98.77 o
1 0 1 209.97 226.07 11.49 o
2 0 1 2771.26 2750.96 55.17 o
3 0 1 7042.06 7249.59 132.79 o
4 0 1 8850.70 8732.67 190.94 o
5 0 1 2823.96 2951.69 87.36 o
6 0 1 930.72 999.62 83.13 o
7 0 1 228.78 201.80 39.99 o
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1 1 1 23641.59 22820.09 866.83 o
2 1 1 8887.60 8639.81 151.48 o
3 1 1 1528.44 1534.70 40.84 o
4 1 1 220.94 183.97 21.86 o
5 1 1 2010.74 1978.37 89.37 o
6 1 1 1908.82 1991.61 98.18 o
7 1 1 1873.30 2052.92 108.11 o
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-3 2 1 5636.30 5458.16 101.75 o
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-1 2 1 3680.44 3635.25 79.86 o
0 2 1 322.57 427.31 14.01 o
1 2 1 411.74 461.17 15.95 o
2 2 1 57.70 25.36 5.77 o
3 2 1 1703.00 1668.17 57.50 o
4 2 1 8126.89 8325.39 192.84 o
5 2 1 2229.57 2325.75 200.75 o
6 2 1 1086.28 1008.66 102.87 o
-8 3 1 4.59 -26.04 31.05 o
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-6 3 1 1786.61 1844.32 144.11 o
-5 3 1 3215.51 3191.13 74.85 o
-4 3 1 5215.90 5125.09 102.21 o
-3 3 1 2601.58 2611.47 56.68 o
-2 3 1 916.23 961.35 25.43 o
-1 3 1 8194.67 8698.60 150.56 o
0 3 1 6527.92 6364.36 114.82 o
1 3 1 6792.11 7005.48 127.93 o
2 3 1 3515.27 3458.45 89.60 o
3 3 1 1019.60 1077.29 63.37 o
4 3 1 51.61 49.94 20.42 o
5 3 1 39.77 32.97 24.71 o
6 3 1 1302.09 1266.64 119.30 o
-7 4 1 2289.41 2305.30 105.17 o
-6 4 1 175.35 174.42 35.65 o
-5 4 1 181.35 199.46 23.66 o
-4 4 1 7188.19 7233.10 137.77 o
-3 4 1 3458.05 3357.51 70.69 o
-2 4 1 10045.40 10104.54 177.38 o
-1 4 1 6077.10 5919.26 110.22 o
0 4 1 2792.32 2796.37 60.96 o
1 4 1 484.79 467.12 23.44 o
2 4 1 854.93 903.95 82.32 o
3 4 1 4256.40 4291.74 117.03 o
4 4 1 4707.88 4502.04 178.94 o
5 4 1 3227.49 3231.36 137.75 o
-7 5 1 909.11 952.92 110.38 o
-6 5 1 4727.43 4811.52 132.04 o
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-1 5 1 1061.28 1045.12 32.21 o
0 5 1 4154.99 4007.10 85.20 o
1 5 1 2133.04 2110.41 81.52 o
2 5 1 4287.69 4185.06 113.52 o
3 5 1 2508.25 2470.22 103.54 o
4 5 1 149.70 107.44 55.11 o
-8 6 1 1401.07 1518.19 150.28 o
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0 6 1 887.96 841.02 45.30 o
1 6 1 182.88 161.71 21.48 o
2 6 1 803.57 866.24 63.08 o
3 6 1 2291.39 2278.22 102.90 o
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-3 7 1 1930.19 1824.97 89.00 o
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0 7 1 7491.91 7580.09 247.54 o
1 7 1 3089.53 3258.32 129.04 o
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0 8 1 53.73 89.50 30.89 o
1 8 1 103.40 65.01 61.95 o
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0 9 1 1685.04 1854.55 140.64 o
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0 -9 2 1950.27 1975.97 161.82 o
1 -9 2 1839.03 1973.79 138.35 o
2 -9 2 81.58 86.52 57.44 o
3 -9 2 797.08 740.78 68.69 o
4 -9 2 1980.24 1799.68 98.18 o
5 -9 2 2566.78 2526.38 122.66 o
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1 -8 2 1918.59 1949.37 92.74 o
2 -8 2 2736.38 2745.36 113.89 o
3 -8 2 2214.06 2055.75 99.09 o
4 -8 2 432.47 460.59 53.62 o
5 -8 2 62.01 27.81 24.50 o
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2 -7 2 11.52 7.27 13.88 o
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4 -7 2 2693.93 2772.45 114.33 o
5 -7 2 3388.90 3172.71 128.35 o
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-6 -3 2 2143.14 2139.36 116.13 o
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-3 -3 2 6069.52 6048.88 178.60 o
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0 -3 2 1333.04 1126.05 29.00 o
1 -3 2 4737.68 4905.04 115.05 o
2 -3 2 6.44 14.81 6.31 o
3 -3 2 4347.99 4528.37 90.64 o
4 -3 2 4356.02 4267.04 107.91 o
5 -3 2 2877.73 2989.12 73.50 o
6 -3 2 5691.73 5779.67 171.06 o
7 -3 2 2293.61 2041.16 133.46 o
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3 -2 2 6944.50 6926.89 127.67 o
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0 -2 17 1382.65 1191.86 127.86 o
1 -2 17 1001.55 1064.28 126.76 o
-3 -1 17 891.41 809.43 78.19 o
-2 -1 17 2043.20 1829.29 140.41 o
-1 -1 17 1195.96 1356.39 91.47 o
0 -1 17 1292.11 1134.80 124.82 o
1 -1 17 1038.93 1050.78 86.43 o
-3 0 17 1473.86 1250.37 192.65 o
-2 0 17 497.28 478.59 54.11 o
-1 0 17 148.53 136.93 47.43 o
0 0 17 2613.17 2319.08 161.67 o
-4 1 17 169.63 105.21 45.76 o
-3 1 17 727.22 713.10 92.27 o
0 1 17 1218.60 1400.93 100.00 o
-4 2 17 3134.67 2915.37 182.27 o
-3 2 17 1787.56 1967.05 139.00 o