#------------------------------------------------------------------------------
#$Date: 2018-02-28 09:17:24 +0200 (Wed, 28 Feb 2018) $
#$Revision: 206690 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/10/2021042.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_2021042
_cell_angle_alpha                108.581
_cell_angle_beta                 90.930
_cell_angle_gamma                92.396
_cell_length_a                   6.9406
_cell_length_b                   8.5527
_cell_length_c                   12.7193
_exptl_crystal_F_000             494.00
_reflns_d_resolution_high        0.8400
_cod_data_source_file            fp3045Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' dsd-huangchao_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            221.74
_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 1705.73 1909.92 38.37 o
2 0 0 45513.54 45632.18 779.40 o
3 0 0 1786.77 1933.19 94.15 o
4 0 0 19791.37 20405.47 666.28 o
5 0 0 3597.59 2726.17 241.30 o
6 0 0 7458.01 7643.87 402.44 o
7 0 0 3792.53 4240.26 402.44 o
8 0 0 2565.86 3151.41 288.11 o
-8 1 0 5366.64 5905.21 409.04 o
-7 1 0 147.73 156.95 44.56 o
-6 1 0 18263.21 17446.45 693.48 o
-5 1 0 2046.62 2306.17 327.53 o
-4 1 0 16426.83 18065.28 715.13 o
-3 1 0 7680.53 8484.29 302.21 o
-2 1 0 19377.43 20165.64 580.57 o
-1 1 0 29954.31 28012.64 1407.30 o
0 1 0 4251.75 5404.64 241.82 o
1 1 0 39341.87 48009.86 1593.87 o
2 1 0 1939.11 2261.93 101.07 o
3 1 0 21515.30 23715.62 460.57 o
4 1 0 1617.99 1683.41 155.32 o
5 1 0 10144.05 8285.82 674.77 o
6 1 0 31.82 111.97 24.22 o
7 1 0 3765.44 3685.11 355.99 o
8 1 0 86.23 69.56 49.75 o
-8 2 0 781.75 639.02 130.42 o
-7 2 0 6499.96 7438.95 378.59 o
-6 2 0 282.69 283.18 56.56 o
-5 2 0 9574.50 8697.96 706.90 o
-4 2 0 64.83 97.61 130.11 o
-3 2 0 15449.18 16025.46 681.84 o
-2 2 0 84.54 45.34 29.98 o
-1 2 0 8388.56 10101.69 252.09 o
0 2 0 5853.69 7198.44 512.00 o
1 2 0 725.11 1103.10 53.99 o
2 2 0 376.33 391.74 48.44 o
3 2 0 6641.72 6848.79 219.07 o
4 2 0 4469.54 4124.98 321.45 o
5 2 0 622.48 578.31 75.85 o
6 2 0 5405.18 4836.65 327.16 o
7 2 0 105.60 151.03 38.32 o
-7 3 0 850.52 1053.51 169.06 o
-6 3 0 7839.21 7886.21 449.30 o
-5 3 0 82.46 91.79 68.83 o
-4 3 0 4803.32 4210.32 392.06 o
-3 3 0 417.56 460.26 106.00 o
-2 3 0 8138.27 9129.23 313.11 o
-1 3 0 111.93 156.53 51.58 o
0 3 0 8583.87 9429.55 376.07 o
1 3 0 352.15 316.99 62.33 o
2 3 0 8827.75 9175.51 325.38 o
3 3 0 1241.71 1202.07 122.19 o
4 3 0 5249.37 3931.97 291.36 o
5 3 0 3539.97 3010.71 164.92 o
6 3 0 2295.05 2066.87 138.55 o
7 3 0 2761.11 2717.15 142.06 o
-7 4 0 1812.24 2086.05 213.67 o
-6 4 0 2982.58 3132.17 207.01 o
-5 4 0 3651.25 3476.74 215.40 o
-4 4 0 3147.41 2370.70 282.24 o
-3 4 0 9059.88 8155.18 428.60 o
-2 4 0 3031.46 2930.61 184.89 o
-1 4 0 16455.80 18285.50 745.48 o
0 4 0 1376.43 1689.54 138.92 o
1 4 0 12875.43 13106.12 438.40 o
2 4 0 405.43 316.52 108.62 o
3 4 0 21466.23 18320.05 680.53 o
4 4 0 190.35 133.05 37.06 o
5 4 0 6563.61 5870.19 257.02 o
6 4 0 424.63 397.51 57.51 o
7 4 0 3868.50 4512.69 335.55 o
-7 5 0 5557.33 5565.62 330.57 o
-6 5 0 45.84 73.86 32.76 o
-5 5 0 7061.20 7757.04 394.84 o
-4 5 0 102.30 118.94 39.68 o
-3 5 0 15120.15 14179.13 924.29 o
-2 5 0 2895.11 3037.50 251.83 o
-1 5 0 6769.35 7252.86 431.11 o
0 5 0 5786.54 6329.87 259.28 o
1 5 0 4545.63 4616.96 227.09 o
2 5 0 9059.56 8176.26 375.91 o
3 5 0 2930.89 2433.14 206.80 o
4 5 0 6866.05 6186.55 217.39 o
5 5 0 856.02 835.75 72.29 o
6 5 0 4406.96 5048.44 241.98 o
-6 6 0 3204.49 3325.50 171.21 o
-5 6 0 508.95 595.82 72.97 o
-4 6 0 7424.04 7791.85 726.56 o
-3 6 0 261.78 229.66 42.93 o
-2 6 0 7503.14 7087.94 260.80 o
-1 6 0 21.69 45.03 63.95 o
0 6 0 7057.02 6028.09 256.29 o
1 6 0 185.77 205.91 75.01 o
2 6 0 3429.68 3058.73 128.59 o
3 6 0 2254.74 2193.05 95.62 o
4 6 0 1722.39 1858.70 97.29 o
5 6 0 1887.15 2070.01 111.50 o
6 6 0 1370.23 1569.28 96.04 o
-5 7 0 1048.53 1061.27 108.83 o
-4 7 0 764.98 866.84 117.63 o
-3 7 0 4453.70 4488.47 184.26 o
-2 7 0 181.65 207.43 30.67 o
-1 7 0 4037.07 3622.16 156.95 o
0 7 0 280.35 292.98 36.54 o
1 7 0 5519.25 5250.73 198.31 o
2 7 0 1.65 12.32 10.43 o
3 7 0 3913.55 3834.46 136.19 o
4 7 0 379.52 382.83 45.03 o
5 7 0 2120.65 2163.27 97.08 o
-4 8 0 896.62 945.26 101.38 o
-3 8 0 2603.65 2489.44 190.29 o
-2 8 0 1898.29 2001.66 97.08 o
-1 8 0 2007.59 2000.71 98.19 o
0 8 0 3477.54 3418.13 231.81 o
1 8 0 1000.13 943.48 54.94 o
2 8 0 4348.33 4355.95 135.67 o
3 8 0 351.06 308.71 37.80 o
4 8 0 3122.42 3479.47 208.53 o
-3 9 0 24.94 24.69 13.00 o
-2 9 0 3585.39 3550.18 207.33 o
-1 9 0 195.51 215.03 29.57 o
0 9 0 3932.48 4223.38 124.03 o
1 9 0 872.09 903.74 37.74 o
2 9 0 2066.45 2039.19 77.11 o
-3 -9 1 303.59 261.53 37.22 o
-2 -9 1 2772.38 2949.17 131.37 o
-1 -9 1 920.34 932.79 40.52 o
0 -9 1 2750.39 2903.35 95.20 o
1 -9 1 1362.99 1458.89 88.49 o
2 -9 1 2456.75 2403.15 141.07 o
3 -9 1 2194.46 1866.93 128.27 o
-4 -8 1 443.45 444.64 63.53 o
-3 -8 1 2867.36 2912.21 142.69 o
-2 -8 1 63.67 79.21 23.75 o
-1 -8 1 2073.79 2149.22 88.80 o
0 -8 1 183.54 178.44 28.78 o
1 -8 1 3217.88 3161.74 134.78 o
2 -8 1 735.73 712.09 49.22 o
3 -8 1 2817.64 3016.22 126.70 o
4 -8 1 1407.26 1540.30 141.22 o
5 -8 1 953.62 959.26 93.99 o
-5 -7 1 1095.75 1114.53 66.52 o
-4 -7 1 1774.17 1898.75 100.18 o
-3 -7 1 1183.07 1174.08 79.84 o
-2 -7 1 3822.61 3607.22 121.88 o
-1 -7 1 427.22 472.05 87.91 o
0 -7 1 3925.28 3688.94 175.77 o
1 -7 1 4.98 18.45 12.90 o
2 -7 1 3862.76 3724.95 141.96 o
3 -7 1 625.67 580.51 57.51 o
4 -7 1 2082.39 2342.97 148.40 o
5 -7 1 620.32 745.75 68.46 o
6 -7 1 2767.25 2504.38 118.05 o
-6 -6 1 3468.18 3929.87 181.48 o
-5 -6 1 572.49 541.15 54.99 o
-4 -6 1 4845.00 4970.80 205.07 o
-3 -6 1 3938.70 3627.14 154.07 o
-2 -6 1 3202.16 2916.83 193.91 o
-1 -6 1 4239.91 3684.75 204.60 o
0 -6 1 4036.32 3854.96 237.78 o
1 -6 1 6517.42 5536.74 338.59 o
2 -6 1 1320.49 1281.75 141.49 o
3 -6 1 6818.90 6702.85 309.44 o
4 -6 1 976.75 1012.94 78.37 o
5 -6 1 3502.44 3882.11 221.17 o
6 -6 1 195.82 205.70 41.52 o
-6 -5 1 429.64 472.16 58.82 o
-5 -5 1 7590.59 7042.59 305.83 o
-4 -5 1 4.02 6.61 14.26 o
-3 -5 1 11803.79 8997.60 856.67 o
-2 -5 1 415.03 571.50 82.46 o
-1 -5 1 9181.31 9089.18 382.05 o
0 -5 1 923.86 990.40 92.52 o
1 -5 1 10154.92 10528.04 494.80 o
2 -5 1 3191.09 3203.89 272.54 o
3 -5 1 9123.36 8618.28 691.80 o
4 -5 1 3410.81 3121.95 250.73 o
5 -5 1 6054.64 5877.85 400.24 o
6 -5 1 4987.81 5009.91 210.31 o
7 -5 1 1492.30 1530.55 157.58 o
-7 -4 1 2728.80 2884.90 162.40 o
-6 -4 1 2462.26 2325.83 141.01 o
-5 -4 1 2637.83 2381.71 152.76 o
-4 -4 1 5485.55 3888.14 333.45 o
-3 -4 1 2149.79 1787.20 147.25 o
-2 -4 1 4892.45 4542.46 199.25 o
-1 -4 1 2525.49 2611.21 124.55 o
0 -4 1 20752.50 22800.02 797.43 o
1 -4 1 89.38 135.98 22.33 o
2 -4 1 9969.52 9624.87 416.59 o
3 -4 1 1073.98 1065.25 183.79 o
4 -4 1 10489.19 8662.78 606.99 o
5 -4 1 2125.45 2106.08 166.44 o
6 -4 1 5895.09 6396.66 545.13 o
7 -4 1 2436.42 3018.11 278.62 o
-7 -3 1 84.41 67.41 20.44 o
-6 -3 1 4633.20 4613.71 220.75 o
-5 -3 1 1127.26 1058.28 92.26 o
-4 -3 1 3928.87 3215.84 367.16 o
-3 -3 1 5351.30 5903.69 259.38 o
-2 -3 1 10967.13 12164.37 359.35 o
-1 -3 1 7524.04 9281.98 328.89 o
0 -3 1 11166.88 13174.68 282.81 o
1 -3 1 17257.38 19376.02 473.42 o
2 -3 1 185.78 152.55 50.80 o
3 -3 1 14460.80 14644.79 666.33 o
4 -3 1 416.53 455.44 121.77 o
5 -3 1 9734.95 8663.30 750.94 o
6 -3 1 945.41 944.84 94.67 o
7 -3 1 4459.46 5060.49 395.83 o
-8 -2 1 241.48 319.19 75.85 o
-7 -2 1 4040.08 3779.26 206.85 o
-6 -2 1 343.28 310.18 54.36 o
-5 -2 1 7836.37 6882.45 412.92 o
-4 -2 1 740.64 668.79 134.93 o
-3 -2 1 19458.78 22159.65 518.50 o
-2 -2 1 5005.73 6154.21 207.17 o
-1 -2 1 41798.07 39794.96 2796.05 o
0 -2 1 31551.97 33589.38 1234.42 o
1 -2 1 20803.65 23192.03 551.05 o
2 -2 1 8200.99 9019.30 229.82 o
3 -2 1 12950.46 15290.62 453.34 o
4 -2 1 8128.11 9020.82 639.96 o
5 -2 1 1605.44 1638.80 291.46 o
6 -2 1 8903.21 8986.69 561.69 o
7 -2 1 540.16 679.43 93.89 o
8 -2 1 4546.38 5027.47 370.57 o
-8 -1 1 2081.14 2309.16 239.15 o
-7 -1 1 4620.75 4937.09 241.40 o
-6 -1 1 11620.98 10486.41 405.43 o
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0 -1 1 49170.40 45013.35 1188.71 o
1 -1 1 2214.39 2588.09 134.57 o
2 -1 1 31671.74 32885.26 1156.10 o
3 -1 1 275.04 365.80 62.91 o
4 -1 1 19175.62 20124.96 1394.93 o
5 -1 1 1994.55 1615.57 208.11 o
6 -1 1 10079.42 10059.13 403.59 o
7 -1 1 1763.45 2042.75 257.13 o
8 -1 1 2714.73 3507.72 309.91 o
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0 0 1 16737.08 19625.18 698.36 o
1 0 1 6789.49 8012.02 209.32 o
2 0 1 6125.97 7431.67 159.57 o
3 0 1 23241.32 26412.53 626.23 o
4 0 1 460.72 436.46 102.75 o
5 0 1 7340.12 5961.40 376.39 o
6 0 1 214.56 257.28 51.16 o
7 0 1 5467.94 6343.61 484.95 o
8 0 1 439.01 570.55 115.80 o
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-3 1 1 16577.70 17444.93 496.27 o
-2 1 1 1293.44 1484.41 90.11 o
-1 1 1 7020.27 7992.57 250.57 o
0 1 1 5724.63 6518.96 372.72 o
1 1 1 8760.89 10780.03 370.83 o
2 1 1 7249.75 8451.52 289.79 o
3 1 1 7283.59 8109.00 230.76 o
4 1 1 6475.11 6023.68 284.02 o
5 1 1 369.87 449.67 122.35 o
6 1 1 4939.26 4698.42 199.78 o
7 1 1 16.34 25.95 46.29 o
8 1 1 3221.51 3228.84 265.36 o
-8 2 1 2030.69 1857.50 164.66 o
-7 2 1 526.99 475.51 76.38 o
-6 2 1 5050.94 5172.15 375.55 o
-5 2 1 140.27 236.63 106.99 o
-4 2 1 8676.18 8001.59 560.65 o
-3 2 1 670.33 852.84 80.41 o
-2 2 1 11776.47 12742.26 434.78 o
-1 2 1 3207.21 3773.92 163.66 o
0 2 1 16890.24 20665.59 572.60 o
1 2 1 2769.34 2798.30 76.12 o
2 2 1 8996.95 9917.90 242.76 o
3 2 1 6191.42 6697.09 212.62 o
4 2 1 5775.07 5239.46 267.35 o
5 2 1 3215.71 2771.36 128.48 o
6 2 1 3740.15 3523.50 145.31 o
7 2 1 3140.60 3284.56 229.45 o
-7 3 1 1831.76 2032.27 227.46 o
-6 3 1 5518.92 6278.08 462.99 o
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-4 3 1 5483.24 5180.59 457.59 o
-3 3 1 13593.04 12574.62 559.02 o
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0 3 1 984.19 1094.35 99.18 o
1 3 1 14845.84 15563.94 376.70 o
2 3 1 10.17 71.66 37.53 o
3 3 1 16511.39 15682.78 596.08 o
4 3 1 173.82 179.02 68.46 o
5 3 1 8885.30 8026.12 282.39 o
6 3 1 229.42 198.89 38.11 o
7 3 1 4264.80 4230.92 227.25 o
-7 4 1 5218.08 5979.60 406.68 o
-6 4 1 8.06 11.27 34.49 o
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-4 4 1 1011.00 854.47 195.01 o
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0 4 1 3321.73 3530.63 192.65 o
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2 4 1 7156.76 6994.05 288.53 o
3 4 1 3501.18 3058.78 229.82 o
4 4 1 7308.18 6040.46 228.14 o
5 4 1 455.91 440.13 52.37 o
6 4 1 6327.69 6561.42 236.63 o
7 4 1 33.11 80.31 24.80 o
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0 5 1 15038.08 14448.94 460.68 o
1 5 1 1433.32 1421.19 121.09 o
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2 6 1 521.90 505.45 46.55 o
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0 -6 2 708.72 754.50 99.18 o
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2 -6 2 2161.35 1859.07 175.30 o
3 -6 2 6787.53 6178.64 298.07 o
4 -6 2 4276.78 4065.48 270.07 o
5 -6 2 1683.44 1716.75 126.49 o
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0 -5 2 17572.47 18807.83 695.05 o
1 -5 2 41.96 93.99 30.72 o
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4 -5 2 6384.81 5045.87 343.99 o
5 -5 2 2091.28 2128.57 153.28 o
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