#------------------------------------------------------------------------------ #$Date: 2021-09-08 05:07:07 +0300 (Wed, 08 Sep 2021) $ #$Revision: 269047 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/24/2022437.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_2022437 _cell_angle_alpha 90.000 _cell_angle_beta 121.867 _cell_angle_gamma 90.000 _cell_length_a 17.6783 _cell_length_b 17.2647 _cell_length_c 16.3829 _exptl_crystal_F_000 2598.24 _reflns_d_resolution_high 0.7688 _cod_data_source_file zl5025Isup2.hkl _cod_data_source_block I _shelx_title ' s1 in C2/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1045.65 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, 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 4 0 0 223.50 370.77 201.82 o 6 0 0 244701.20 248199.34 4769.17 o 8 0 0 250322.98 249482.55 5597.93 o 10 0 0 284.97 236.84 558.11 o 12 0 0 11419.11 11280.33 1030.50 o 14 0 0 234194.03 223381.09 5074.16 o 3 1 0 45047.04 44798.66 680.02 o 5 1 0 146025.06 146274.14 1837.99 o 7 1 0 1411.16 1254.28 284.84 o 9 1 0 95346.56 92023.30 1584.77 o 11 1 0 20481.49 20388.90 855.58 o 13 1 0 84153.88 81881.88 2058.11 o 15 1 0 57062.60 55887.40 3533.61 o 19 1 0 43062.79 48237.90 2872.28 o 0 2 0 216354.19 219406.98 4451.63 o 2 2 0 142422.33 151389.86 1629.53 o 4 2 0 15614.71 15588.02 372.23 o 6 2 0 458.88 565.20 200.52 o 8 2 0 9794.38 9269.11 457.68 o 10 2 0 6803.06 7321.34 526.19 o 12 2 0 6510.88 7223.76 665.50 o 14 2 0 41193.62 38993.13 1468.46 o 16 2 0 8711.62 9075.90 2498.16 o 18 2 0 5572.66 4776.88 1485.92 o 1 3 0 24281.45 26916.64 341.92 o 3 3 0 48937.86 50631.16 642.86 o 5 3 0 364.62 1003.66 160.17 o 7 3 0 1281.99 1546.16 242.21 o 9 3 0 353.76 166.74 271.35 o 11 3 0 86293.43 84818.41 1592.87 o 13 3 0 2278.26 2051.42 585.29 o 15 3 0 8993.15 9335.44 1109.29 o 17 3 0 38764.48 44903.55 2666.82 o 19 3 0 63.26 2571.51 1267.82 o 0 4 0 15922.68 16201.71 416.00 o 2 4 0 186329.78 184683.02 1857.51 o 4 4 0 220455.88 235401.98 2434.35 o 6 4 0 171735.69 171364.98 2248.52 o 8 4 0 129102.59 126847.12 1713.42 o 10 4 0 69284.30 64883.85 1193.19 o 12 4 0 80133.00 76231.09 1432.64 o 14 4 0 9996.74 9533.73 883.76 o 16 4 0 77049.62 74808.59 2298.99 o 18 4 0 7188.47 7694.38 1235.38 o 1 5 0 17739.58 17836.09 311.89 o 3 5 0 1093391.00 1085407.12 11604.87 o 5 5 0 111214.38 108406.62 1283.05 o 7 5 0 1928.28 2703.53 261.54 o 9 5 0 37056.24 36862.96 797.04 o 11 5 0 285613.66 272890.25 3421.55 o 13 5 0 1848.78 2218.59 575.42 o 15 5 0 5611.20 6435.61 893.33 o 17 5 0 78743.45 75626.98 2383.14 o 19 5 0 15653.87 16348.17 1592.67 o 0 6 0 13962.92 15195.71 459.14 o 2 6 0 204168.97 207811.12 2238.32 o 4 6 0 62755.40 60965.96 958.27 o 6 6 0 29559.36 29080.01 533.23 o 8 6 0 21347.64 20021.66 573.27 o 10 6 0 47491.50 45371.23 961.63 o 12 6 0 56394.35 52691.40 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1389.75 o 17 9 0 12147.65 16519.97 1650.53 o 0 10 0 719250.94 741915.69 10545.03 o 2 10 0 12405.76 13930.71 422.09 o 4 10 0 263.63 228.49 224.56 o 6 10 0 150883.42 154984.47 2095.87 o 8 10 0 127971.23 124405.20 1910.29 o 10 10 0 142.27 101.60 530.82 o 12 10 0 72.83 902.28 635.03 o 14 10 0 134693.08 138823.42 2725.13 o 16 10 0 2823.60 3276.71 709.26 o 1 11 0 79257.01 83687.58 1051.54 o 3 11 0 1047.25 1423.37 242.17 o 5 11 0 42192.57 43715.29 911.69 o 7 11 0 585.94 -27.60 364.46 o 9 11 0 14046.71 13541.51 763.73 o 11 11 0 1239.33 745.08 569.79 o 13 11 0 32192.94 32539.36 1284.19 o 15 11 0 20441.52 20736.77 1623.49 o 17 11 0 39.33 1932.78 2761.82 o 0 12 0 17129.50 17447.76 808.79 o 2 12 0 49767.47 48898.18 835.39 o 4 12 0 35983.50 36160.52 730.13 o 6 12 0 13063.98 13504.73 581.17 o 8 12 0 20219.72 19292.63 845.10 o 10 12 0 27533.36 26155.65 1372.31 o 12 12 0 24103.38 23541.14 1145.22 o 14 12 0 4104.55 4272.46 1017.95 o 16 12 0 21918.59 25509.20 1805.35 o 1 13 0 3478.38 3664.17 330.64 o 3 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