#------------------------------------------------------------------------------
#$Date: 2021-10-14 05:45:34 +0300 (Thu, 14 Oct 2021) $
#$Revision: 269943 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/49/1564915.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_1564915
_cell_angle_alpha                67.433
_cell_angle_beta                 72.887
_cell_angle_gamma                63.062
_cell_length_a                   8.6450
_cell_length_b                   9.1660
_cell_length_c                   9.3403
_exptl_crystal_F_000             492.00
_reflns_d_resolution_high        0.6936
_cod_data_source_file            bv4042Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' S0854'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            307.46
_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 12.04 27.50 2.47 o
2 0 0 29160.26 28816.90 268.63 o
3 0 0 4414.79 4484.25 54.71 o
4 0 0 3255.71 3375.43 50.68 o
5 0 0 173.31 169.87 15.55 o
6 0 0 936.96 990.62 52.72 o
7 0 0 33.81 67.38 15.68 o
8 0 0 491.83 464.51 33.30 o
9 0 0 32.55 33.78 20.66 o
10 0 0 10.83 37.34 20.72 o
-10 1 0 17.02 54.18 26.52 o
-9 1 0 1349.91 1445.60 70.98 o
-8 1 0 631.12 625.87 83.74 o
-7 1 0 4372.85 4286.32 83.98 o
-6 1 0 7253.11 7089.08 120.69 o
-5 1 0 7915.37 7706.62 105.55 o
-4 1 0 17026.92 17342.65 138.46 o
-3 1 0 5153.81 5365.35 51.82 o
-2 1 0 1993.41 2070.88 22.38 o
-1 1 0 1056.64 1105.00 11.75 o
0 1 0 2059.57 2174.51 18.84 o
1 1 0 164.66 219.52 6.96 o
2 1 0 16382.01 16389.84 113.37 o
3 1 0 977.65 997.34 23.46 o
4 1 0 670.93 689.97 29.76 o
5 1 0 490.80 537.82 21.03 o
6 1 0 4358.60 4199.06 76.08 o
7 1 0 1519.59 1509.19 52.98 o
8 1 0 3128.90 3008.06 92.87 o
9 1 0 1776.34 1870.83 117.61 o
10 1 0 832.79 701.22 54.33 o
11 1 0 1098.47 1078.83 83.00 o
-10 2 0 29.62 6.06 24.99 o
-9 2 0 633.37 631.62 54.54 o
-8 2 0 2.29 10.41 16.08 o
-7 2 0 37.38 39.52 23.13 o
-6 2 0 865.31 822.31 32.50 o
-5 2 0 20.09 18.26 9.88 o
-4 2 0 6973.69 7109.90 80.54 o
-3 2 0 361.54 350.16 13.40 o
-2 2 0 1255.72 1253.02 23.21 o
-1 2 0 3924.09 4039.54 39.26 o
0 2 0 9642.29 9996.85 78.79 o
1 2 0 183.81 233.41 8.42 o
2 2 0 94534.16 88345.84 1375.85 o
3 2 0 223.67 246.87 9.64 o
4 2 0 28473.83 27609.59 209.21 o
5 2 0 3655.68 3672.34 41.67 o
6 2 0 9529.61 9228.38 111.81 o
7 2 0 331.22 340.07 40.42 o
8 2 0 63.13 73.57 16.77 o
9 2 0 2.49 0.17 13.65 o
10 2 0 16.52 11.66 17.66 o
11 2 0 6.98 31.11 24.98 o
-9 3 0 2.48 3.87 21.62 o
-8 3 0 643.93 570.25 50.72 o
-7 3 0 611.53 603.53 45.34 o
-6 3 0 0.30 2.08 11.33 o
-5 3 0 4551.02 4462.42 64.38 o
-4 3 0 5547.87 5462.17 70.60 o
-3 3 0 13545.97 13648.84 131.56 o
-2 3 0 26898.84 26794.37 223.74 o
-1 3 0 4896.47 5081.07 56.64 o
0 3 0 17479.73 17677.23 152.89 o
1 3 0 2321.28 2382.70 24.35 o
2 3 0 706.26 700.73 16.32 o
3 3 0 2705.23 2730.50 34.92 o
4 3 0 5244.58 5454.52 66.89 o
5 3 0 1872.12 1834.61 36.46 o
6 3 0 1400.52 1403.17 30.23 o
7 3 0 430.06 413.87 20.95 o
8 3 0 276.83 306.50 28.28 o
9 3 0 6.33 -6.35 11.23 o
10 3 0 899.30 990.53 50.21 o
11 3 0 328.14 386.75 49.03 o
-8 4 0 48.32 46.99 27.41 o
-7 4 0 1615.41 1724.18 73.64 o
-6 4 0 113.06 157.31 27.17 o
-5 4 0 737.63 718.70 31.73 o
-4 4 0 303.75 300.64 17.00 o
-3 4 0 1124.05 1044.08 27.09 o
-2 4 0 7456.13 7363.76 85.06 o
-1 4 0 394.99 432.58 14.86 o
0 4 0 11259.75 11206.21 88.60 o
1 4 0 4482.79 4507.44 46.08 o
2 4 0 123.17 136.01 6.39 o
3 4 0 988.26 924.26 23.03 o
4 4 0 12998.62 13000.20 128.90 o
5 4 0 123.36 126.81 12.18 o
6 4 0 10217.44 10106.63 137.09 o
7 4 0 913.47 900.68 26.91 o
8 4 0 6332.94 6460.57 124.35 o
9 4 0 284.14 347.85 31.78 o
10 4 0 470.57 540.49 41.05 o
11 4 0 78.68 128.75 26.74 o
-8 5 0 674.96 676.13 102.09 o
-7 5 0 88.82 127.41 32.35 o
-6 5 0 2473.77 2371.61 83.02 o
-5 5 0 78.22 80.07 19.94 o
-4 5 0 1903.45 1968.40 58.80 o
-3 5 0 3061.57 3068.23 46.45 o
-2 5 0 681.25 729.75 22.86 o
-1 5 0 7052.67 7107.76 81.70 o
0 5 0 11997.59 11797.54 101.77 o
1 5 0 2549.48 2557.47 44.11 o
2 5 0 20603.90 20157.28 151.47 o
3 5 0 1069.86 1036.24 19.50 o
4 5 0 3908.35 3812.04 48.92 o
5 5 0 676.32 666.38 27.20 o
6 5 0 418.41 426.60 18.36 o
7 5 0 1192.32 1133.88 34.89 o
8 5 0 236.18 235.92 26.60 o
9 5 0 706.20 731.33 40.80 o
10 5 0 1.97 -11.66 14.34 o
11 5 0 203.99 245.71 34.04 o
-7 6 0 588.30 600.25 69.75 o
-6 6 0 0.43 5.32 22.05 o
-5 6 0 1886.59 1801.79 156.41 o
-4 6 0 762.83 811.39 44.27 o
-3 6 0 1628.33 1716.69 48.89 o
-2 6 0 148.17 171.08 20.39 o
-1 6 0 1125.72 1131.42 27.09 o
0 6 0 2326.23 2298.65 58.69 o
1 6 0 823.67 795.67 27.92 o
2 6 0 7589.73 7330.10 101.47 o
3 6 0 3284.94 3158.11 60.39 o
4 6 0 3496.78 3376.60 66.77 o
5 6 0 2228.64 2242.86 43.25 o
6 6 0 43.13 45.59 9.12 o
7 6 0 885.43 810.22 30.77 o
8 6 0 2142.87 2250.08 53.94 o
9 6 0 43.78 43.86 17.57 o
10 6 0 1770.74 1722.76 79.73 o
11 6 0 83.01 90.24 31.35 o
-6 7 0 670.27 631.43 123.63 o
-5 7 0 109.44 82.89 31.79 o
-4 7 0 2549.88 2314.03 79.79 o
-3 7 0 3.53 16.25 13.90 o
-2 7 0 5592.44 5514.34 141.40 o
-1 7 0 1201.67 1216.64 40.63 o
0 7 0 1158.47 1132.15 63.67 o
1 7 0 2565.47 2529.32 56.07 o
2 7 0 1305.76 1339.56 58.66 o
3 7 0 856.46 870.15 38.67 o
4 7 0 6548.41 6525.18 103.97 o
5 7 0 269.51 326.17 25.29 o
6 7 0 2788.56 2692.35 69.21 o
7 7 0 50.91 35.52 15.23 o
8 7 0 145.97 188.13 25.45 o
9 7 0 85.29 112.60 30.63 o
10 7 0 12.25 10.42 21.66 o
11 7 0 240.35 278.90 43.30 o
-5 8 0 142.07 141.24 41.07 o
-4 8 0 66.11 104.99 42.85 o
-3 8 0 699.70 664.33 41.52 o
-2 8 0 553.48 553.59 55.83 o
-1 8 0 1311.61 1315.86 60.92 o
0 8 0 795.47 804.40 34.82 o
1 8 0 210.15 248.81 27.32 o
2 8 0 9.98 12.22 12.89 o
3 8 0 273.38 216.04 28.83 o
4 8 0 2108.24 2249.58 75.90 o
5 8 0 1484.36 1428.64 50.53 o
6 8 0 2063.05 2025.82 83.41 o
7 8 0 1418.95 1383.58 52.79 o
8 8 0 365.61 405.17 34.48 o
9 8 0 813.25 848.46 57.87 o
10 8 0 129.49 129.18 35.75 o
11 8 0 60.67 81.13 31.28 o
-4 9 0 122.13 179.82 73.05 o
-3 9 0 94.14 185.18 44.08 o
-2 9 0 1124.73 1109.07 78.31 o
-1 9 0 0.48 21.88 26.22 o
0 9 0 4490.05 4351.50 124.73 o
1 9 0 240.87 212.34 29.89 o
2 9 0 2974.57 2955.02 98.36 o
3 9 0 842.41 779.59 71.85 o
4 9 0 366.98 252.45 34.04 o
5 9 0 724.11 722.33 54.16 o
6 9 0 749.85 780.75 52.45 o
7 9 0 46.96 25.31 19.28 o
8 9 0 736.11 787.89 133.19 o
9 9 0 0.14 0.94 27.81 o
10 9 0 205.98 194.78 52.98 o
-2 10 0 419.63 512.53 69.19 o
-1 10 0 147.30 147.48 40.66 o
0 10 0 62.63 47.39 74.46 o
1 10 0 316.95 351.50 55.97 o
2 10 0 404.10 365.36 41.67 o
3 10 0 11.37 33.04 20.69 o
4 10 0 434.53 443.12 62.40 o
5 10 0 43.38 42.41 28.76 o
6 10 0 82.29 97.77 28.73 o
7 10 0 96.78 81.35 28.56 o
8 10 0 488.68 459.07 50.90 o
9 10 0 428.29 423.61 53.46 o
10 10 0 218.64 190.12 74.93 o
0 11 0 54.84 47.07 32.29 o
1 11 0 5.16 21.45 30.92 o
2 11 0 1646.65 1835.47 110.00 o
3 11 0 17.89 42.07 23.82 o
4 11 0 1660.65 1661.03 120.03 o
5 11 0 409.21 394.32 49.33 o
6 11 0 908.45 1001.46 72.93 o
7 11 0 353.18 293.44 45.55 o
8 11 0 3.11 4.61 25.80 o
3 12 0 74.99 141.44 47.01 o
4 12 0 46.72 86.11 32.63 o
5 12 0 53.35 3.59 26.01 o
6 12 0 270.52 257.78 44.56 o
-7 -11 1 287.36 244.34 50.08 o
-6 -11 1 423.09 409.56 51.63 o
-5 -11 1 41.97 -15.95 23.42 o
-4 -11 1 0.40 9.51 22.82 o
-3 -11 1 569.18 628.07 76.31 o
-2 -11 1 44.35 84.74 39.38 o
-1 -11 1 342.81 318.75 58.73 o
-9 -10 1 84.91 38.14 38.80 o
-8 -10 1 24.77 15.03 24.86 o
-7 -10 1 480.79 421.82 50.26 o
-6 -10 1 2.88 30.09 23.29 o
-5 -10 1 19.81 3.01 28.21 o
-4 -10 1 10.35 12.41 22.35 o
-3 -10 1 133.36 101.88 50.95 o
-2 -10 1 1339.34 1421.24 69.99 o
-1 -10 1 575.54 679.04 68.41 o
0 -10 1 2075.51 1989.88 131.12 o
1 -10 1 191.57 175.80 44.51 o
2 -10 1 1162.80 1313.92 146.11 o
-10 -9 1 48.99 28.30 37.12 o
-9 -9 1 298.99 327.45 118.94 o
-8 -9 1 8.33 -14.49 21.96 o
-7 -9 1 2296.50 2515.09 169.23 o
-6 -9 1 742.82 773.26 54.20 o
-5 -9 1 2571.19 2700.70 94.14 o
-4 -9 1 1596.82 1737.35 81.50 o
-3 -9 1 1867.92 1820.11 75.62 o
-2 -9 1 332.60 400.99 42.80 o
-1 -9 1 153.70 136.61 25.47 o
0 -9 1 14.09 9.15 21.33 o
1 -9 1 268.27 251.03 69.31 o
2 -9 1 253.46 245.27 48.15 o
3 -9 1 282.98 648.01 119.88 o
-10 -8 1 8.77 7.07 27.92 o
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-5 -8 1 875.43 869.09 51.47 o
-4 -8 1 255.62 268.53 34.78 o
-3 -8 1 171.68 191.91 29.26 o
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-1 -8 1 158.96 206.14 29.82 o
0 -8 1 932.75 914.96 46.24 o
1 -8 1 645.51 633.18 42.37 o
2 -8 1 2265.65 2119.64 107.42 o
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4 -8 1 2404.34 2409.26 103.23 o
5 -8 1 13.35 -9.52 29.69 o
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0 -7 1 2408.01 2460.67 58.82 o
1 -7 1 547.83 579.93 47.13 o
2 -7 1 801.21 841.83 58.40 o
3 -7 1 22.25 29.37 16.48 o
4 -7 1 90.29 108.70 25.25 o
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-6 -6 1 10.64 33.59 10.55 o
-5 -6 1 3139.25 3153.32 70.02 o
-4 -6 1 12.70 15.41 8.20 o
-3 -6 1 3.38 3.84 6.75 o
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-1 -6 1 299.84 311.38 29.47 o
0 -6 1 2325.59 2220.35 51.19 o
1 -6 1 892.90 886.26 29.84 o
2 -6 1 0.82 0.77 6.91 o
3 -6 1 538.21 574.01 37.37 o
4 -6 1 728.25 821.56 45.85 o
5 -6 1 494.61 488.90 54.00 o
6 -6 1 1938.23 1822.12 100.60 o
7 -6 1 127.27 119.29 39.83 o
-11 -5 1 48.99 27.06 25.83 o
-10 -5 1 49.44 74.61 25.91 o
-9 -5 1 85.94 135.62 23.96 o
-8 -5 1 370.43 369.30 27.08 o
-7 -5 1 1221.35 1177.02 49.15 o
-6 -5 1 2925.06 2879.72 56.27 o
-5 -5 1 419.82 436.27 23.01 o
-4 -5 1 711.38 731.20 35.39 o
-3 -5 1 1473.73 1482.34 42.05 o
-2 -5 1 19.45 24.20 5.68 o
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0 -5 1 5323.76 5136.41 78.16 o
1 -5 1 13034.98 12953.71 125.90 o
2 -5 1 6510.10 6462.59 84.47 o
3 -5 1 3787.90 3873.64 72.08 o
4 -5 1 3260.18 3248.62 69.38 o
5 -5 1 599.74 559.54 34.79 o
6 -5 1 57.75 20.08 23.50 o
7 -5 1 19.05 31.86 29.97 o
8 -5 1 4.45 -0.87 26.39 o
-11 -4 1 361.65 371.38 41.74 o
-10 -4 1 485.48 540.48 43.53 o
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0 -4 1 931.99 995.82 40.40 o
1 -4 1 109.43 118.17 8.68 o
2 -4 1 3296.71 3241.23 47.09 o
3 -4 1 537.20 558.74 30.95 o
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5 -4 1 532.80 520.48 41.76 o
6 -4 1 47.07 12.82 13.49 o
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8 -4 1 725.73 735.79 55.80 o
-11 -3 1 340.15 339.48 40.19 o
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-11 -2 1 673.47 674.20 60.80 o
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-8 -2 1 1435.27 1393.19 74.93 o
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9 0 1 219.47 231.29 37.98 o
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0 1 1 266.27 292.28 5.54 o
1 1 1 6.32 20.89 2.67 o
2 1 1 29420.78 29786.71 181.79 o
3 1 1 1566.44 1587.50 20.46 o
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5 1 1 304.90 247.63 15.86 o
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8 1 1 706.65 743.15 44.48 o
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