#------------------------------------------------------------------------------
#$Date: 2018-10-25 05:40:06 +0300 (Thu, 25 Oct 2018) $
#$Revision: 211615 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/12/2021280.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_2021280
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.3942
_cell_length_b                   7.3942
_cell_length_c                   17.4657
_exptl_crystal_F_000             414.00
_reflns_d_resolution_high        0.8109
_cod_data_source_file            yf31491sup2.hkl
_cod_data_source_block           1
_shelx_title                     '    ap90_hbr in P3(2)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            139.03
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
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
0 0 -21 1792.16 1627.11 190.28 o
-1 1 -21 1.45 0.00 50.97 o
0 1 -21 23.60 36.49 34.51 o
1 1 -21 790.80 800.70 60.35 o
-1 2 -21 695.10 650.52 54.93 o
-1 1 -20 121.58 157.85 25.96 o
0 1 -20 1266.89 1257.61 76.98 o
1 1 -20 18.42 1.74 20.52 o
-3 2 -20 328.09 306.32 47.51 o
-2 2 -20 754.97 882.80 61.05 o
-1 2 -20 23.51 40.72 22.33 o
0 2 -20 132.34 103.90 27.69 o
1 2 -20 679.76 732.91 57.51 o
-2 3 -20 18.36 29.25 24.35 o
-1 3 -20 350.51 423.67 44.90 o
-1 1 -19 950.67 1006.18 56.43 o
0 1 -19 218.10 190.80 28.04 o
1 1 -19 3.40 0.00 21.00 o
-3 2 -19 646.55 650.31 51.09 o
-2 2 -19 179.14 142.44 27.03 o
-1 2 -19 71.46 41.23 19.80 o
0 2 -19 654.74 677.46 45.98 o
1 2 -19 148.71 132.28 29.62 o
2 2 -19 272.99 276.42 37.18 o
-4 3 -19 206.18 231.26 38.64 o
-3 3 -19 120.62 172.09 29.46 o
-2 3 -19 920.71 935.57 87.32 o
-1 3 -19 248.25 225.15 35.35 o
0 3 -19 181.24 184.77 33.17 o
1 3 -19 193.70 166.73 35.13 o
-3 4 -19 496.90 491.02 53.00 o
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-1 4 -19 51.70 47.27 27.70 o
0 0 -18 1556.39 1552.82 102.92 o
-1 1 -18 102.24 145.01 23.20 o
0 1 -18 153.93 137.22 20.66 o
1 1 -18 1092.69 1176.72 56.72 o
-3 2 -18 264.78 281.48 29.43 o
-2 2 -18 144.59 128.34 28.93 o
-1 2 -18 1213.76 1288.67 63.02 o
0 2 -18 221.54 218.22 31.10 o
1 2 -18 213.28 222.81 31.44 o
2 2 -18 606.71 649.68 52.03 o
-4 3 -18 320.55 296.80 35.18 o
-3 3 -18 935.51 995.09 58.82 o
-2 3 -18 217.41 197.16 28.68 o
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0 3 -18 779.59 790.70 46.28 o
1 3 -18 94.04 97.07 27.98 o
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-3 4 -18 36.59 27.18 20.74 o
-2 4 -18 747.48 737.40 57.56 o
-1 4 -18 362.54 371.95 40.09 o
0 4 -18 166.55 165.46 31.90 o
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0 1 -17 2341.16 2373.42 71.77 o
1 1 -17 33.34 25.53 20.04 o
-3 2 -17 523.50 497.69 37.78 o
-2 2 -17 876.73 925.33 49.60 o
-1 2 -17 197.45 208.38 26.03 o
0 2 -17 316.40 311.39 33.90 o
1 2 -17 856.85 905.73 44.62 o
2 2 -17 105.21 66.12 22.58 o
-5 3 -17 653.49 652.94 48.32 o
-4 3 -17 330.54 298.32 29.49 o
-3 3 -17 180.81 189.98 22.69 o
-2 3 -17 452.97 441.73 32.46 o
-1 3 -17 1079.09 1089.47 64.00 o
0 3 -17 300.25 291.07 26.96 o
1 3 -17 503.15 512.34 46.46 o
2 3 -17 490.25 531.33 48.52 o
-5 4 -17 52.98 61.04 25.42 o
-4 4 -17 284.56 287.17 29.50 o
-3 4 -17 234.74 226.10 27.75 o
-2 4 -17 352.30 327.52 35.56 o
-1 4 -17 135.64 170.52 23.65 o
0 4 -17 757.40 759.37 51.26 o
1 4 -17 225.03 225.32 40.10 o
-4 5 -17 363.39 372.35 41.44 o
-3 5 -17 17.70 37.54 23.73 o
-2 5 -17 384.58 344.14 35.14 o
-1 5 -17 164.84 186.54 29.76 o
-1 1 -16 2714.92 2931.30 77.03 o
0 1 -16 129.77 124.29 17.31 o
1 1 -16 394.09 378.31 30.11 o
-3 2 -16 1025.57 1040.75 70.40 o
-2 2 -16 155.82 154.63 17.40 o
-1 2 -16 39.48 42.50 13.49 o
0 2 -16 1254.57 1305.90 47.65 o
1 2 -16 365.44 329.97 24.72 o
2 2 -16 561.42 629.28 48.80 o
-5 3 -16 130.75 136.59 24.13 o
-4 3 -16 135.99 146.30 23.27 o
-3 3 -16 371.35 344.53 26.04 o
-2 3 -16 551.83 574.44 36.37 o
-1 3 -16 580.42 584.48 37.55 o
0 3 -16 523.46 531.60 36.98 o
1 3 -16 182.32 220.24 23.28 o
2 3 -16 15.94 26.52 17.74 o
3 3 -16 646.78 703.65 57.95 o
-5 4 -16 396.55 409.93 43.03 o
-4 4 -16 520.93 460.69 46.85 o
-3 4 -16 383.40 386.78 34.89 o
-2 4 -16 182.65 173.02 27.05 o
-1 4 -16 445.15 457.04 36.08 o
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1 4 -16 277.73 306.64 42.43 o
-5 5 -16 117.27 78.17 30.79 o
-4 5 -16 277.76 239.89 34.78 o
-3 5 -16 242.28 258.58 35.21 o
-2 5 -16 719.66 730.21 47.67 o
-1 5 -16 215.67 209.82 53.30 o
0 5 -16 163.74 154.99 32.37 o
-3 6 -16 94.45 116.37 25.48 o
0 0 -15 1676.26 1751.86 116.71 o
-1 1 -15 193.50 165.03 15.66 o
0 1 -15 22.86 6.47 13.30 o
1 1 -15 1845.41 1845.59 54.57 o
-3 2 -15 84.94 89.69 15.40 o
-2 2 -15 52.64 55.85 11.53 o
-1 2 -15 1713.95 1764.36 50.78 o
0 2 -15 563.13 531.90 29.15 o
1 2 -15 437.89 448.47 24.81 o
2 2 -15 624.25 626.91 39.79 o
-5 3 -15 44.04 86.74 22.32 o
-4 3 -15 334.57 323.23 29.77 o
-3 3 -15 1205.42 1212.93 51.95 o
-2 3 -15 759.16 781.02 37.77 o
-1 3 -15 34.52 47.23 14.74 o
0 3 -15 1020.53 978.87 42.95 o
1 3 -15 306.71 280.84 31.31 o
2 3 -15 1022.33 1125.17 56.31 o
3 3 -15 39.29 41.66 20.10 o
-6 4 -15 507.41 559.77 44.54 o
-5 4 -15 493.29 501.96 46.41 o
-4 4 -15 728.47 739.39 55.15 o
-3 4 -15 292.08 267.09 28.85 o
-2 4 -15 816.86 883.31 53.44 o
-1 4 -15 485.31 474.03 35.67 o
0 4 -15 308.44 329.41 34.51 o
1 4 -15 43.17 35.96 24.87 o
2 4 -15 195.81 221.36 34.07 o
-6 5 -15 576.70 539.11 58.45 o
-5 5 -15 235.97 266.58 35.26 o
-4 5 -15 565.49 575.58 49.38 o
-3 5 -15 703.58 753.62 53.58 o
-2 5 -15 238.05 227.21 29.10 o
-1 5 -15 358.66 369.27 38.54 o
0 5 -15 569.32 590.96 56.70 o
1 5 -15 421.17 421.84 50.72 o
-5 6 -15 437.40 467.29 43.40 o
-4 6 -15 165.20 187.08 30.89 o
-3 6 -15 153.64 160.46 26.00 o
-2 6 -15 736.03 802.50 58.24 o
-1 6 -15 12.95 22.71 24.85 o
-1 1 -14 155.60 142.83 10.99 o
0 1 -14 1407.47 1376.42 35.61 o
1 1 -14 356.21 345.84 22.44 o
-3 2 -14 487.75 489.40 25.86 o
-2 2 -14 1996.64 1984.32 56.48 o
-1 2 -14 45.46 38.11 11.36 o
0 2 -14 120.30 109.47 14.56 o
1 2 -14 2083.26 2133.25 52.62 o
2 2 -14 501.47 494.19 29.71 o
-5 3 -14 567.10 555.06 37.38 o
-4 3 -14 767.60 782.24 37.59 o
-3 3 -14 358.48 328.20 29.16 o
-2 3 -14 13.11 23.84 12.44 o
-1 3 -14 1980.33 2014.37 61.12 o
0 3 -14 314.70 321.75 31.58 o
1 3 -14 791.46 739.79 40.37 o
2 3 -14 641.45 660.76 42.53 o
3 3 -14 96.92 73.58 23.90 o
-6 4 -14 249.94 222.51 29.04 o
-5 4 -14 332.39 286.92 30.55 o
-4 4 -14 516.54 455.35 35.58 o
-3 4 -14 1299.45 1281.09 58.75 o
-2 4 -14 715.41 731.89 47.56 o
-1 4 -14 217.68 214.61 28.96 o
0 4 -14 501.49 544.31 41.01 o
1 4 -14 107.60 108.71 27.40 o
2 4 -14 1050.21 1106.21 68.16 o
-6 5 -14 457.82 465.42 54.36 o
-5 5 -14 564.60 613.39 51.08 o
-4 5 -14 844.76 889.84 58.98 o
-3 5 -14 97.47 94.32 23.75 o
-2 5 -14 401.20 440.95 40.82 o
-1 5 -14 1109.04 1189.83 65.58 o
0 5 -14 180.03 241.59 51.69 o
1 5 -14 30.63 1.24 25.90 o
-6 6 -14 333.31 292.42 45.76 o
-5 6 -14 175.46 172.32 28.10 o
-4 6 -14 75.89 66.94 22.48 o
-3 6 -14 569.83 673.52 53.50 o
-2 6 -14 245.67 193.38 29.78 o
-1 6 -14 421.87 297.97 41.90 o
0 6 -14 263.38 298.45 45.00 o
-1 1 -13 2900.38 2886.01 49.75 o
0 1 -13 60.21 60.98 8.79 o
1 1 -13 91.06 92.00 12.34 o
-3 2 -13 991.02 974.61 49.89 o
-2 2 -13 288.42 306.75 18.47 o
-1 2 -13 681.04 664.55 21.22 o
0 2 -13 2442.47 2579.65 60.58 o
1 2 -13 243.41 247.14 17.64 o
2 2 -13 818.09 871.81 38.91 o
-5 3 -13 685.01 717.81 36.13 o
-4 3 -13 432.88 427.98 27.12 o
-3 3 -13 656.99 634.82 37.91 o
-2 3 -13 1450.59 1498.39 49.58 o
-1 3 -13 899.23 859.26 38.38 o
0 3 -13 677.18 635.98 37.19 o
1 3 -13 1361.64 1385.84 54.30 o
2 3 -13 309.46 286.89 31.82 o
3 3 -13 651.20 654.09 45.49 o
-7 4 -13 56.02 40.87 20.31 o
-6 4 -13 65.41 78.86 28.37 o
-5 4 -13 1556.00 1450.42 63.60 o
-4 4 -13 114.91 97.15 25.44 o
-3 4 -13 383.73 394.46 33.65 o
-2 4 -13 381.38 424.10 36.78 o
-1 4 -13 696.68 700.63 46.11 o
0 4 -13 337.15 312.14 31.85 o
1 4 -13 1059.17 1075.32 69.04 o
2 4 -13 262.30 283.30 36.03 o
3 4 -13 14.28 37.33 24.83 o
-7 5 -13 556.33 640.90 62.97 o
-6 5 -13 365.36 311.02 32.69 o
-5 5 -13 464.28 363.10 37.73 o
-4 5 -13 161.49 151.23 34.10 o
-3 5 -13 375.44 442.32 39.57 o
-2 5 -13 822.74 809.85 53.45 o
-1 5 -13 520.27 537.89 43.38 o
0 5 -13 176.92 219.31 36.08 o
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-4 6 -13 710.59 727.08 61.43 o
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1 3 -12 678.45 639.04 35.46 o
2 3 -12 397.59 487.54 38.14 o
3 3 -12 101.70 145.81 24.93 o
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-6 4 -12 932.73 928.59 46.46 o
-5 4 -12 109.46 77.07 20.84 o
-4 4 -12 422.45 430.83 33.53 o
-3 4 -12 233.96 232.50 19.97 o
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-1 4 -12 937.39 974.63 52.24 o
0 4 -12 411.28 403.60 34.53 o
1 4 -12 668.80 645.26 44.02 o
2 4 -12 321.34 316.02 44.85 o
3 4 -12 1090.91 1075.09 68.30 o
-7 5 -12 96.21 70.70 36.06 o
-6 5 -12 167.94 166.83 29.04 o
-5 5 -12 765.58 770.47 53.47 o
-4 5 -12 240.72 173.50 33.62 o
-3 5 -12 1294.91 1382.03 79.81 o
-2 5 -12 8.47 5.39 18.66 o
-1 5 -12 91.28 86.20 23.70 o
0 5 -12 422.06 491.15 50.12 o
1 5 -12 475.62 499.04 51.97 o
2 5 -12 26.49 47.01 23.51 o
-7 6 -12 240.91 265.93 44.67 o
-6 6 -12 463.97 394.42 50.93 o
-5 6 -12 625.16 615.44 61.32 o
-4 6 -12 86.25 67.97 26.40 o
-3 6 -12 453.83 516.56 44.96 o
-2 6 -12 661.26 701.55 60.53 o
-1 6 -12 459.18 478.17 50.31 o
0 6 -12 127.54 114.35 28.22 o
1 6 -12 221.36 247.12 49.10 o
-6 7 -12 522.87 601.48 64.25 o
-5 7 -12 156.49 135.83 26.81 o
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-2 7 -12 28.06 60.89 26.84 o
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1 1 -11 179.87 179.05 14.48 o
-3 2 -11 629.10 656.58 28.38 o
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0 2 -11 329.92 354.53 17.11 o
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2 2 -11 95.42 84.48 12.36 o
-5 3 -11 1367.94 1352.25 51.96 o
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-3 3 -11 610.69 562.30 21.76 o
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-1 3 -11 2390.28 2424.04 57.51 o
0 3 -11 1266.32 1283.95 48.25 o
1 3 -11 254.80 280.93 19.42 o
2 3 -11 93.19 95.05 17.32 o
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0 4 -11 806.91 793.21 46.05 o
1 4 -11 724.57 686.27 44.62 o
2 4 -11 352.00 404.69 40.39 o
3 4 -11 61.97 81.11 26.04 o
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1 6 -11 487.63 594.37 54.07 o
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0 1 -10 9.19 6.15 4.96 o
1 1 -10 538.45 552.27 20.38 o
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1 1 20 37.21 48.11 30.11 o
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