#------------------------------------------------------------------------------
#$Date: 2018-10-25 05:44:09 +0300 (Thu, 25 Oct 2018) $
#$Revision: 211616 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/12/2021293.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_2021293
_cell_angle_alpha                64.090
_cell_angle_beta                 75.186
_cell_angle_gamma                71.141
_cell_length_a                   8.0650
_cell_length_b                   10.2930
_cell_length_c                   10.8370
_exptl_crystal_F_000             629.64
_reflns_d_resolution_high        0.8410
_cod_data_source_file            jr3022Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' 1 in P1                     New: P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            344.38
_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 0 186.40 209.77 8.97 o
2 0 0 592.57 602.75 14.02 o
3 0 0 14814.20 14816.01 266.88 o
4 0 0 5.06 7.59 6.43 o
5 0 0 12814.70 13065.71 135.29 o
6 0 0 423.27 406.47 22.43 o
7 0 0 51.99 68.41 20.19 o
8 0 0 5280.66 5183.76 111.15 o
-8 1 0 1654.01 1604.19 59.46 o
-7 1 0 3418.40 3380.53 84.18 o
-6 1 0 42.30 52.79 11.31 o
-5 1 0 17636.29 17848.27 180.17 o
-4 1 0 4382.31 4373.31 54.20 o
-3 1 0 2328.16 2472.65 34.81 o
-2 1 0 40457.66 39451.20 1200.08 o
1 1 0 679.22 663.42 16.84 o
2 1 0 434.18 496.97 16.83 o
3 1 0 7746.45 7082.33 105.89 o
4 1 0 13261.15 13277.85 295.54 o
5 1 0 396.31 392.73 19.07 o
6 1 0 3283.95 3233.48 47.45 o
7 1 0 3438.50 3345.90 78.57 o
8 1 0 64.19 65.04 20.19 o
9 1 0 634.02 585.45 42.62 o
-8 2 0 3.11 -8.97 20.19 o
-7 2 0 3728.75 3886.87 93.16 o
-6 2 0 5803.23 5759.37 75.93 o
-5 2 0 318.44 366.29 34.21 o
-4 2 0 2104.93 2129.55 34.67 o
-3 2 0 6381.17 6220.37 70.66 o
-2 2 0 8474.01 8752.21 90.38 o
-1 2 0 27903.19 27692.16 260.04 o
0 2 0 8.03 24.67 10.09 o
1 2 0 5792.51 5920.72 85.71 o
2 2 0 118599.16 121704.12 1627.18 o
3 2 0 19.41 11.21 8.97 o
4 2 0 167.75 189.53 15.70 o
5 2 0 5051.02 5149.78 91.00 o
6 2 0 171.95 149.75 12.39 o
7 2 0 7446.35 7389.92 132.58 o
8 2 0 36.52 21.31 16.82 o
9 2 0 93.49 102.05 24.67 o
-8 3 0 6113.84 6070.02 134.74 o
-7 3 0 157.31 134.57 25.79 o
-6 3 0 2127.99 2117.19 51.05 o
-5 3 0 4281.10 4336.61 65.68 o
-4 3 0 17.33 16.33 8.89 o
-3 3 0 35428.55 36183.58 344.10 o
-2 3 0 15691.03 16554.78 163.75 o
-1 3 0 513.05 508.15 15.70 o
0 3 0 37019.79 35386.14 421.75 o
1 3 0 38.46 39.25 11.21 o
2 3 0 2111.28 1924.55 39.30 o
3 3 0 126.50 98.69 12.34 o
4 3 0 2052.35 2074.71 32.93 o
5 3 0 12969.20 12953.05 191.50 o
6 3 0 281.61 250.09 22.43 o
7 3 0 293.38 269.72 17.39 o
8 3 0 3349.16 3334.29 81.93 o
9 3 0 1.08 3.36 19.06 o
-7 4 0 34.87 41.49 22.43 o
-6 4 0 386.98 394.29 36.45 o
-5 4 0 12253.54 12861.91 226.70 o
-4 4 0 2109.25 2153.47 69.01 o
-3 4 0 6437.63 6696.12 107.90 o
-2 4 0 4536.62 4463.87 53.17 o
-1 4 0 318.59 323.01 14.58 o
0 4 0 10596.01 10567.33 189.98 o
1 4 0 3109.06 2966.45 56.16 o
2 4 0 1728.94 1697.01 39.28 o
3 4 0 13103.33 12969.12 187.22 o
4 4 0 14122.59 14288.98 207.45 o
5 4 0 559.76 573.14 29.16 o
6 4 0 422.22 402.63 30.28 o
7 4 0 129.57 120.00 15.07 o
8 4 0 86.98 96.44 22.43 o
9 4 0 1158.67 1094.75 52.72 o
-6 5 0 2366.54 2463.91 77.42 o
-5 5 0 1605.93 1640.14 59.46 o
-4 5 0 1774.00 1854.58 59.46 o
-3 5 0 82.56 107.66 22.43 o
-2 5 0 2357.76 2347.87 59.48 o
-1 5 0 20371.80 20260.42 254.83 o
0 5 0 2911.59 2951.69 55.01 o
1 5 0 86.33 72.74 9.70 o
2 5 0 11987.09 12024.38 178.06 o
3 5 0 30.53 16.82 13.46 o
4 5 0 483.26 467.70 26.92 o
5 5 0 5.93 2.24 14.58 o
6 5 0 698.22 659.51 37.01 o
7 5 0 6674.51 6728.36 126.93 o
8 5 0 322.18 330.84 31.40 o
9 5 0 519.41 469.92 38.13 o
-6 6 0 4482.54 4657.13 114.49 o
-5 6 0 605.74 598.91 43.74 o
-4 6 0 882.55 919.75 47.11 o
-3 6 0 15616.44 16125.13 250.02 o
-2 6 0 152.49 109.90 21.31 o
-1 6 0 2733.12 2771.31 69.59 o
0 6 0 6435.89 6422.41 137.11 o
1 6 0 2044.49 2028.00 35.94 o
2 6 0 12411.33 12220.64 175.70 o
3 6 0 215.73 173.83 21.31 o
4 6 0 739.85 725.71 37.01 o
5 6 0 6805.46 7039.28 123.59 o
6 6 0 574.61 458.72 32.53 o
7 6 0 470.62 465.43 34.77 o
8 6 0 798.58 709.97 43.74 o
-5 7 0 3626.48 3859.50 101.00 o
-4 7 0 210.57 260.18 30.28 o
-3 7 0 3183.94 3178.32 81.93 o
-2 7 0 0.06 -6.73 19.06 o
-1 7 0 379.64 388.05 31.40 o
0 7 0 6089.19 5857.79 98.86 o
1 7 0 4875.42 4739.94 79.74 o
2 7 0 1292.46 1345.73 32.41 o
3 7 0 1532.51 1539.38 35.67 o
4 7 0 898.13 828.92 41.50 o
5 7 0 92.59 88.59 21.31 o
6 7 0 0.71 2.24 17.94 o
7 7 0 263.83 241.12 29.16 o
8 7 0 129.31 103.17 24.67 o
-4 8 0 2903.38 2761.48 84.16 o
-3 8 0 1023.29 1046.51 51.60 o
-2 8 0 587.00 563.02 40.38 o
-1 8 0 4589.59 4447.06 97.68 o
0 8 0 333.51 325.47 19.40 o
1 8 0 314.99 304.13 19.32 o
2 8 0 1093.27 1079.90 31.94 o
3 8 0 860.69 800.60 29.22 o
4 8 0 4643.33 4680.58 70.66 o
5 8 0 140.45 132.18 23.55 o
6 8 0 51.43 58.30 15.45 o
7 8 0 808.09 767.01 33.70 o
-3 9 0 3409.08 3338.57 94.27 o
-2 9 0 2.66 19.06 21.31 o
-1 9 0 1140.97 1126.18 51.60 o
0 9 0 128.85 134.57 26.91 o
1 9 0 698.43 696.24 28.29 o
2 9 0 5783.25 5910.29 97.14 o
3 9 0 117.73 108.72 16.92 o
4 9 0 1057.15 1081.66 36.08 o
5 9 0 2015.59 1999.87 46.81 o
6 9 0 716.47 692.38 33.28 o
7 9 0 9.83 -18.40 25.79 o
-1 10 0 2004.78 1998.06 69.56 o
0 10 0 2610.11 2590.79 78.54 o
1 10 0 84.75 113.26 26.91 o
2 10 0 938.70 915.23 34.33 o
3 10 0 191.69 178.14 20.57 o
4 10 0 480.86 449.73 27.35 o
5 10 0 6.12 7.93 26.35 o
2 11 0 831.00 862.22 63.93 o
-4 -10 1 516.61 530.31 31.26 o
-3 -10 1 51.79 71.67 25.23 o
-2 -10 1 7184.39 6967.60 98.33 o
-1 -10 1 2428.17 2380.85 78.54 o
0 -10 1 231.36 228.78 33.64 o
-6 -9 1 806.35 823.81 71.22 o
-5 -9 1 1906.88 1893.37 48.31 o
-4 -9 1 6956.69 6789.76 96.47 o
-3 -9 1 1313.97 1255.36 38.17 o
-2 -9 1 6369.67 6324.74 89.57 o
-1 -9 1 226.21 195.37 19.13 o
0 -9 1 1656.74 1677.13 62.82 o
1 -9 1 5141.05 5204.80 116.76 o
2 -9 1 2338.61 2453.74 79.66 o
-7 -8 1 4227.50 4168.60 102.14 o
-6 -8 1 387.50 408.22 37.01 o
-5 -8 1 244.73 247.84 31.40 o
-4 -8 1 3225.69 3159.25 83.05 o
-3 -8 1 738.96 721.15 30.16 o
-2 -8 1 6685.81 6659.54 88.87 o
-1 -8 1 1184.00 1282.01 34.47 o
0 -8 1 5605.18 5494.82 114.55 o
1 -8 1 7398.79 7051.82 135.94 o
2 -8 1 260.61 236.63 29.16 o
3 -8 1 266.09 244.48 31.40 o
4 -8 1 814.51 909.61 52.71 o
-7 -7 1 39.66 28.04 22.43 o
-6 -7 1 635.50 559.66 40.38 o
-5 -7 1 3065.92 3301.71 80.80 o
-4 -7 1 7819.61 7611.18 138.22 o
-3 -7 1 513.38 596.67 40.38 o
-2 -7 1 7919.83 8078.35 182.64 o
-1 -7 1 5803.85 5586.06 76.38 o
0 -7 1 2962.13 2965.40 51.63 o
1 -7 1 584.90 506.95 38.13 o
2 -7 1 3017.76 2974.02 77.44 o
3 -7 1 7310.31 7231.24 140.42 o
4 -7 1 2149.90 2210.23 72.93 o
5 -7 1 2150.29 2192.21 75.17 o
-8 -6 1 1229.37 1219.28 56.08 o
-7 -6 1 5270.76 5074.90 108.91 o
-6 -6 1 2794.13 2816.68 74.06 o
-5 -6 1 9238.85 9251.19 157.39 o
-4 -6 1 877.66 920.91 43.75 o
-3 -6 1 42.49 28.04 17.94 o
-2 -6 1 6249.31 6424.15 116.86 o
-1 -6 1 1587.47 1518.05 50.49 o
0 -6 1 15425.78 15177.42 158.01 o
1 -6 1 2831.80 2725.51 61.73 o
2 -6 1 2434.34 2458.71 67.33 o
3 -6 1 11379.51 11612.44 192.34 o
4 -6 1 4954.51 4860.44 107.79 o
5 -6 1 178.01 210.83 31.40 o
6 -6 1 1258.41 1223.77 59.45 o
-8 -5 1 95.44 49.34 21.31 o
-7 -5 1 9943.93 10057.13 174.23 o
-6 -5 1 39.63 28.04 17.94 o
-5 -5 1 3203.48 3219.18 74.08 o
-4 -5 1 4214.19 4263.75 85.34 o
-3 -5 1 2568.14 2524.31 60.61 o
-2 -5 1 21214.04 21293.58 300.67 o
-1 -5 1 487.04 434.06 29.16 o
0 -5 1 3477.70 3479.52 47.80 o
1 -5 1 8069.99 7901.85 191.75 o
2 -5 1 376.69 399.27 31.40 o
3 -5 1 2303.86 2289.22 63.96 o
4 -5 1 39.97 8.97 20.19 o
5 -5 1 2975.25 2867.25 78.55 o
6 -5 1 2293.49 2407.16 51.28 o
-8 -4 1 967.77 1006.11 49.35 o
-7 -4 1 4134.81 4003.01 92.05 o
-6 -4 1 217.62 256.82 26.92 o
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-4 -4 1 9400.50 8986.40 144.02 o
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-2 -4 1 1094.25 1015.36 33.66 o
-1 -4 1 2757.69 3075.47 61.76 o
1 -4 1 8934.32 9112.06 95.61 o
2 -4 1 7384.10 7346.04 175.43 o
3 -4 1 6830.86 6700.81 82.61 o
4 -4 1 2071.05 2158.45 52.74 o
5 -4 1 3111.09 3265.41 55.40 o
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3 -3 1 6643.38 6692.71 79.02 o
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2 -2 1 1061.60 1097.29 20.92 o
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-7 -1 1 12323.76 12073.89 195.74 o
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2 -1 1 8575.91 8336.92 121.26 o
3 -1 1 4939.49 4968.76 58.01 o
4 -1 1 754.24 815.06 20.12 o
5 -1 1 828.23 878.21 23.95 o
6 -1 1 753.72 747.79 40.94 o
7 -1 1 1731.28 1800.50 38.65 o
8 -1 1 18.30 48.22 21.31 o
-8 0 1 4810.25 4739.68 105.53 o
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0 0 1 26197.09 27044.04 368.07 o
1 0 1 1755.77 1829.11 29.23 o
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3 0 1 1943.25 1927.53 28.17 o
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5 0 1 11524.29 11748.90 124.17 o
6 0 1 1891.98 1910.22 35.94 o
7 0 1 131.03 131.97 14.01 o
8 0 1 593.59 620.22 39.25 o
9 0 1 1867.52 1930.68 67.31 o
-8 1 1 3050.72 2949.02 83.04 o
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0 1 1 30596.85 29628.32 396.78 o
1 1 1 24.14 17.94 3.36 o
2 1 1 2371.04 2490.62 29.37 o
3 1 1 16190.60 16028.27 153.74 o
4 1 1 197.44 223.99 33.08 o
5 1 1 1065.79 1034.62 23.31 o
6 1 1 32.49 28.41 11.21 o
7 1 1 526.02 517.52 44.86 o
8 1 1 104.51 123.36 22.43 o
9 1 1 6.94 16.82 19.06 o
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