#------------------------------------------------------------------------------
#$Date: 2021-02-19 08:01:46 +0200 (Fri, 19 Feb 2021) $
#$Revision: 262087 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022328.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_2022328
_cell_angle_alpha                90.000
_cell_angle_beta                 98.738
_cell_angle_gamma                90.000
_cell_length_a                   7.0840
_cell_length_b                   11.5247
_cell_length_c                   16.3921
_exptl_crystal_F_000             960.00
_reflns_d_resolution_high        0.7177
_cod_data_source_file            dv30054sup5.hkl
_cod_data_source_block           4
_shelx_title
' v316_15_twin+abs2_twin1_hklf4_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            597.52
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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
0 0 -4 34065.22 34948.75 87.94 o
0 0 6 96205.11 93444.95 131.86 o
0 0 -8 1074.78 1052.50 28.50 o
0 0 10 18181.89 18652.29 68.66 o
0 0 -12 2409.59 2193.27 41.96 o
0 0 14 1790.70 1834.05 79.53 o
0 0 -16 0.85 50.88 100.77 o
0 0 -18 463.11 506.48 107.86 o
0 0 -20 89.89 43.19 130.71 o
0 0 22 4.10 0.00 357.61 o
0 -1 6 42858.66 33725.13 60.66 o
0 -1 7 22951.36 22900.69 54.94 o
0 1 8 39.83 50.67 21.46 o
0 1 9 4809.62 5207.55 39.76 o
0 1 10 3074.52 3438.85 35.26 o
0 -1 11 4571.20 4662.43 46.01 o
0 -1 12 1522.06 1494.85 39.34 o
0 -1 -13 2124.56 1941.44 38.49 o
0 1 -14 175.73 132.11 32.89 o
0 1 15 512.52 686.70 38.67 o
0 1 16 1941.54 2024.10 70.17 o
0 -1 -17 870.43 787.60 77.74 o
0 -1 18 0.00 84.14 73.89 o
0 -1 19 14.12 62.43 85.19 o
0 -1 -20 134.01 203.51 85.36 o
0 -1 21 9.43 47.37 122.89 o
0 -1 22 61.74 0.00 378.03 o
0 2 0 282.69 301.30 20.57 o
0 2 -1 26522.75 26417.32 55.55 o
0 2 -2 652.29 736.33 26.24 o
0 2 -3 21206.30 21488.43 57.48 o
0 2 4 29880.39 30534.46 60.37 o
0 -2 5 3979.58 3923.40 29.61 o
0 -2 -6 10726.02 11429.14 44.83 o
0 2 -7 527.71 569.00 22.93 o
0 -2 -8 730.64 781.05 26.52 o
0 -2 -9 8620.79 8688.94 48.10 o
0 2 -10 7847.01 7849.97 50.43 o
0 -2 -11 45.93 77.43 31.72 o
0 -2 -12 6239.24 6178.62 58.67 o
0 -2 13 3403.62 3428.85 52.77 o
0 -2 -14 2792.49 2721.53 47.22 o
0 2 -15 195.29 191.58 44.38 o
0 -2 16 150.94 110.76 49.62 o
0 -2 17 284.91 374.94 71.91 o
0 -2 18 222.64 190.94 80.96 o
0 2 -19 137.31 97.66 86.72 o
0 -2 20 118.21 170.47 82.58 o
0 -2 21 6.98 122.58 148.30 o
0 3 -1 2683.93 2920.76 32.41 o
0 -3 2 1819.74 1939.79 34.25 o
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0 3 4 909.63 877.31 28.69 o
0 -3 -5 766.52 735.70 21.47 o
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0 -3 7 17195.95 18326.96 56.26 o
0 3 8 2.50 29.45 24.16 o
0 3 9 13528.57 13544.58 66.39 o
0 3 -10 1368.14 1445.94 40.69 o
0 -3 11 222.87 252.91 39.22 o
0 -3 12 0.25 30.06 42.84 o
0 -3 13 594.62 573.59 42.55 o
0 3 -14 145.01 104.16 41.16 o
0 -3 15 254.37 297.27 52.14 o
0 3 16 94.30 136.97 49.16 o
0 3 -17 290.48 216.61 72.13 o
0 3 18 5.59 82.28 79.81 o
0 -3 19 22.34 53.32 92.02 o
0 3 20 8.36 32.21 110.21 o
0 -3 21 40.57 0.00 201.85 o
0 -3 22 2.87 0.00 371.47 o
0 4 0 2785.13 2921.31 40.68 o
0 4 -1 4252.88 4202.24 35.92 o
0 -4 2 26214.07 27239.59 72.15 o
0 -4 -3 7590.31 7338.81 53.48 o
0 4 4 36611.55 37293.38 95.96 o
0 4 5 537.75 507.45 29.37 o
0 4 6 325.15 418.67 22.37 o
0 4 7 1600.71 1852.14 29.79 o
0 -4 -8 8569.41 8953.39 48.13 o
0 -4 9 4552.51 4518.58 40.32 o
0 4 10 12744.44 13042.42 78.56 o
0 4 -11 1423.91 1400.44 47.21 o
0 4 -12 215.14 295.44 43.53 o
0 -4 13 5248.83 5600.59 64.59 o
0 -4 -14 2482.57 2536.21 49.67 o
0 4 15 2.33 45.81 52.14 o
0 -4 -16 751.38 693.95 63.66 o
0 -4 -17 0.12 0.00 94.77 o
0 4 18 43.05 145.48 105.44 o
0 -4 19 270.52 187.75 102.50 o
0 -4 20 216.85 119.18 110.34 o
0 -4 21 13.86 156.38 164.31 o
0 -5 1 17.36 21.62 25.16 o
0 -5 2 17028.20 17214.95 65.58 o
0 5 3 4128.88 4132.59 39.26 o
0 5 -4 13946.02 14546.22 74.39 o
0 5 5 4.98 17.09 29.04 o
0 -5 6 16063.76 16436.45 66.80 o
0 -5 -7 5064.19 5275.53 46.73 o
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0 -5 -9 6064.73 5937.08 50.75 o
0 -5 10 601.58 616.92 31.43 o
0 5 11 68.37 115.31 38.03 o
0 5 -12 2153.29 2490.31 53.84 o
0 5 13 709.57 663.27 46.24 o
0 5 14 131.47 87.04 43.85 o
0 5 -15 1544.23 1367.88 71.13 o
0 5 -16 425.11 474.53 71.38 o
0 -5 -17 152.27 155.88 84.71 o
0 -5 18 66.48 69.74 115.53 o
0 -5 19 9.37 48.24 127.23 o
0 5 -20 115.15 59.62 165.27 o
0 5 -21 55.95 202.73 249.57 o
0 -6 0 104671.92 97363.54 262.29 o
0 -6 1 10830.27 11190.60 59.13 o
0 -6 -2 253.02 168.61 27.07 o
0 -6 -3 22.28 29.19 24.05 o
0 -6 -4 4270.25 4425.98 41.46 o
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0 6 6 22566.89 23266.57 91.20 o
0 -6 7 7693.17 8133.32 58.82 o
0 6 8 254.26 368.43 31.45 o
0 -6 9 33.53 22.89 33.11 o
0 6 -10 3435.43 3645.98 40.77 o
0 -6 11 0.04 48.99 34.31 o
0 6 12 491.51 463.66 41.38 o
0 6 -13 976.30 1168.16 50.34 o
0 -6 14 325.19 364.41 87.21 o
0 6 -15 10.87 80.64 81.88 o
0 -6 16 13.14 93.78 82.82 o
0 6 17 58.15 68.70 85.21 o
0 -6 18 17.80 0.00 127.14 o
0 6 -19 140.52 155.70 187.18 o
0 6 -20 53.45 12.53 237.07 o
0 7 1 16629.50 17139.69 76.28 o
0 7 2 24.67 26.46 33.13 o
0 -7 -3 1310.60 1341.69 37.31 o
0 -7 4 1.61 27.98 31.17 o
0 7 5 6757.20 6933.89 57.18 o
0 7 -6 4098.21 4242.18 53.35 o
0 7 7 13963.58 14537.77 81.31 o
0 7 -8 1520.60 1757.29 40.90 o
0 -7 -9 546.75 639.71 33.62 o
0 -7 -10 3400.90 3496.03 62.58 o
0 7 11 2713.30 2706.13 55.86 o
0 7 12 1.35 17.32 40.40 o
0 7 -13 1603.08 1673.79 97.54 o
0 7 14 372.37 508.74 97.06 o
0 7 -15 5.29 55.22 87.65 o
0 -7 -16 923.10 1046.30 95.32 o
0 7 17 448.86 561.30 88.85 o
0 -7 18 53.55 73.57 146.67 o
0 7 -19 39.20 203.43 237.22 o
0 7 -20 1.17 0.00 335.35 o
0 -8 0 3597.02 3691.50 73.50 o
0 8 1 9750.06 9911.32 73.19 o
0 8 -2 2338.67 2499.01 53.00 o
0 -8 3 4470.75 4480.04 50.22 o
0 -8 4 53.78 98.36 37.38 o
0 8 -5 4307.47 4525.48 70.05 o
0 8 -6 4837.71 4734.98 60.04 o
0 -8 7 1593.21 1804.65 50.81 o
0 8 8 1644.19 1660.63 56.94 o
0 8 9 2546.36 2344.77 38.72 o
0 -8 10 63.32 89.89 46.28 o
0 8 11 276.58 228.35 51.68 o
0 -8 -12 2534.34 2357.87 84.04 o
0 8 -13 142.79 112.35 71.65 o
0 -8 14 3.57 59.72 86.88 o
0 -8 -15 163.54 218.99 93.34 o
0 8 -16 1.24 0.00 101.27 o
0 8 -17 155.68 297.35 109.48 o
0 8 -18 274.56 252.67 322.73 o
0 8 -19 12.53 0.00 326.47 o
0 -9 -1 0.35 30.74 45.37 o
0 -9 -2 3091.31 3171.77 66.25 o
0 -9 3 18808.31 19072.12 99.11 o
0 9 4 3491.10 3668.79 56.65 o
0 -9 5 1247.45 1333.73 55.79 o
0 9 6 76.22 44.40 51.14 o
0 -9 -7 1506.21 1537.87 64.17 o
0 -9 8 132.15 159.75 65.52 o
0 9 -9 530.29 513.14 65.58 o
0 -9 -10 2737.01 2813.90 86.63 o
0 -9 -11 18.61 43.07 68.22 o
0 -9 -12 13.17 0.09 74.84 o
0 9 13 1.71 46.49 82.35 o
0 -9 14 20.95 44.82 95.40 o
0 -9 15 11.53 12.40 103.56 o
0 -9 16 437.68 553.34 99.69 o
0 9 -17 144.87 96.47 191.12 o
0 9 -18 7.96 67.16 340.43 o
0 -10 0 2495.80 2501.53 80.39 o
0 -10 1 22.76 18.79 48.38 o
0 -10 -2 2268.00 2391.01 60.99 o
0 -10 3 700.36 696.71 42.68 o
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0 10 -5 547.42 535.05 50.25 o
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0 -10 -8 1167.73 1156.90 77.57 o
0 -10 -9 364.08 377.82 73.96 o
0 10 10 2704.98 2848.17 96.55 o
0 -10 11 1222.28 1293.95 92.90 o
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0 -10 -13 784.29 831.48 103.48 o
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0 -10 -15 50.64 132.98 120.65 o
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0 -11 -3 645.60 627.98 43.90 o
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0 -11 -5 2834.66 2932.55 86.98 o
0 11 -6 1383.63 1402.26 71.68 o
0 -11 -7 19.26 47.59 78.63 o
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0 -11 9 1644.77 1520.66 90.01 o
0 -11 -10 5.27 43.66 71.67 o
0 -11 -11 365.10 357.00 92.18 o
0 11 -12 289.20 391.08 105.99 o
0 11 13 38.72 98.04 94.49 o
0 11 -14 177.59 214.37 130.17 o
0 11 15 426.45 384.66 148.91 o
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0 -12 -5 383.70 396.41 83.78 o
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