#------------------------------------------------------------------------------ #$Date: 2020-08-08 07:51:50 +0300 (Sat, 08 Aug 2020) $ #$Revision: 255205 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022223.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_2022223 _cell_angle_alpha 109.480 _cell_angle_beta 107.320 _cell_angle_gamma 98.870 _cell_length_a 10.6600 _cell_length_b 12.2400 _cell_length_c 14.6490 _exptl_crystal_F_000 866.00 _reflns_d_resolution_high 0.8256 _cod_data_source_file dg3008Isup2.hkl _cod_data_source_block I _shelx_title ' zd901-2 in P-1 New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 167.61 _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 2 0 0 2860.57 2848.06 19.88 o 3 0 0 782.34 714.86 10.92 o 4 0 0 119.88 72.11 6.55 o 5 0 0 549.42 493.87 13.52 o 6 0 0 62.85 75.30 8.78 o 7 0 0 114.52 111.73 11.41 o 8 0 0 1557.29 1575.13 26.88 o 9 0 0 173.34 188.01 14.97 o 10 0 0 806.10 788.64 28.66 o 11 0 0 219.19 229.83 19.15 o -12 1 0 14.39 -0.49 16.45 o -11 1 0 5.07 20.90 13.91 o -10 1 0 66.75 85.09 20.12 o -9 1 0 10.06 4.17 11.96 o -8 1 0 1181.08 1205.88 24.99 o -7 1 0 113.59 102.86 11.55 o -6 1 0 134.02 107.34 9.88 o -5 1 0 6018.22 5776.12 37.62 o -4 1 0 8331.47 8122.68 54.52 o -3 1 0 94.20 93.86 8.30 o -2 1 0 3149.70 2947.87 22.97 o 1 1 0 7418.23 6554.23 147.74 o 2 1 0 4259.07 4024.93 30.13 o 3 1 0 1374.02 1504.22 13.76 o 4 1 0 22.59 56.13 6.09 o 5 1 0 69.12 85.86 7.73 o 6 1 0 185.39 171.19 12.49 o 7 1 0 367.24 329.14 14.67 o 8 1 0 131.27 121.89 13.07 o 9 1 0 168.70 193.16 15.01 o 10 1 0 1412.05 1417.65 31.79 o 11 1 0 110.46 127.53 30.79 o -12 2 0 216.11 270.61 28.92 o -11 2 0 125.70 179.89 22.55 o -10 2 0 268.57 252.54 20.92 o -9 2 0 493.53 474.36 22.53 o -8 2 0 1489.20 1523.26 27.51 o -7 2 0 363.61 366.31 18.27 o -6 2 0 7467.97 7063.26 50.62 o -5 2 0 3983.99 4125.70 33.51 o -4 2 0 4.10 19.05 7.37 o -3 2 0 7011.40 6269.32 40.05 o -2 2 0 751.97 772.86 18.69 o -1 2 0 3.43 6.70 3.82 o 0 2 0 474.94 533.52 11.00 o 2 2 0 3607.96 3745.48 27.14 o 3 2 0 108.19 97.48 6.22 o 4 2 0 2.05 2.42 6.28 o 5 2 0 2110.26 2174.44 22.92 o 6 2 0 1236.60 1116.58 22.46 o 7 2 0 0.22 -5.35 10.76 o 8 2 0 106.41 105.96 11.91 o 9 2 0 2682.60 2634.73 38.39 o 10 2 0 52.90 86.77 19.40 o 11 2 0 48.03 88.89 20.64 o -12 3 0 7.90 15.03 18.33 o -11 3 0 871.96 922.45 40.32 o -10 3 0 276.61 338.31 27.94 o -9 3 0 101.78 128.20 14.40 o -8 3 0 710.17 652.08 23.09 o -7 3 0 4638.81 4522.51 41.15 o -6 3 0 26.29 30.64 9.80 o -5 3 0 3916.77 4258.04 39.15 o -4 3 0 74.64 27.23 6.79 o -3 3 0 1595.77 1580.14 19.96 o -2 3 0 1177.73 1244.89 17.23 o -1 3 0 54.88 118.40 10.64 o 0 3 0 4506.12 4907.70 64.15 o 1 3 0 22564.81 21063.04 240.46 o 2 3 0 3121.21 3032.37 27.82 o 3 3 0 68.46 79.40 6.62 o 4 3 0 4693.90 4675.56 37.19 o 5 3 0 784.88 729.28 16.84 o 6 3 0 10.85 20.70 9.92 o 7 3 0 3746.22 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799.91 804.41 22.16 o 5 8 0 51.14 71.04 14.44 o 6 8 0 1755.15 1693.15 35.67 o 7 8 0 15.78 44.83 15.14 o -11 9 0 646.56 628.61 40.17 o -10 9 0 686.23 683.76 36.88 o -9 9 0 35.20 23.24 18.68 o -8 9 0 127.03 145.14 19.98 o -7 9 0 1962.21 2049.28 65.91 o -6 9 0 325.45 315.44 23.34 o -5 9 0 103.06 106.39 18.68 o -4 9 0 521.36 491.60 25.73 o -3 9 0 2.17 -15.27 15.48 o -2 9 0 436.45 457.36 28.20 o -1 9 0 106.05 97.44 16.12 o 0 9 0 1.16 -3.87 11.10 o 1 9 0 1716.80 1766.24 27.41 o 2 9 0 22.04 49.93 11.23 o 3 9 0 1.71 10.95 10.96 o 4 9 0 826.61 853.35 20.41 o 5 9 0 1547.93 1538.28 50.46 o 6 9 0 2.91 27.52 13.72 o -10 10 0 13.70 5.17 19.63 o -9 10 0 92.12 101.41 21.42 o -8 10 0 1328.34 1305.94 39.12 o -7 10 0 2.28 19.95 16.41 o -6 10 0 205.91 215.24 18.43 o -5 10 0 378.64 325.36 32.24 o -4 10 0 2075.36 2008.21 37.29 o -3 10 0 1033.58 1072.68 29.14 o -2 10 0 148.68 135.04 31.93 o -1 10 0 896.13 909.36 32.11 o 0 10 0 1328.11 1364.68 26.08 o 1 10 0 2566.48 2646.23 34.58 o 2 10 0 147.38 143.27 13.93 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