#------------------------------------------------------------------------------ #$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $ #$Revision: 269240 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108877.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_2108877 _cell_angle_alpha 90.000 _cell_angle_beta 97.316 _cell_angle_gamma 90.000 _cell_length_a 5.1656 _cell_length_b 7.2761 _cell_length_c 9.4978 _exptl_crystal_F_000 91.82 _reflns_d_resolution_high 0.5970 _cod_data_source_file um5050HMTN01sup3.hkl _cod_data_source_block HMTN01 _shelx_title ' hmtx19_a.res in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 92.09 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, 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 1 0 0 333.10 332.62 7.28 o 2 1 0 1525.45 1551.37 49.13 o 3 1 0 3092.61 3003.40 30.57 o 4 1 0 217.58 199.06 12.37 o 5 1 0 1569.57 1534.63 25.11 o 6 1 0 226.13 242.37 22.20 o 7 1 0 621.65 704.18 44.03 o 8 1 0 181.38 224.54 87.70 o 1 2 0 1131.47 1113.58 17.83 o 3 2 0 1297.89 1269.34 22.20 o 5 2 0 546.15 563.71 18.56 o 7 2 0 126.15 57.50 45.49 o 1 3 0 86.41 99.35 7.64 o 2 3 0 1556.57 1585.58 23.65 o 4 3 0 746.64 761.68 18.56 o 5 3 0 2212.84 2172.58 34.21 o 7 3 0 12.17 44.03 50.22 o 8 3 0 220.21 33.12 106.63 o 1 4 0 532.90 581.54 15.28 o 3 4 0 303.96 308.24 20.38 o 5 4 0 486.30 473.45 24.75 o 7 4 0 2424.19 2438.97 74.60 o 1 5 0 50.95 62.96 17.83 o 2 5 0 505.72 522.58 18.20 o 3 5 0 2124.02 2183.50 32.75 o 4 5 0 413.68 409.41 24.75 o 6 5 0 2616.37 2667.14 58.59 o 7 5 0 0.89 -2.55 77.51 o 1 6 0 563.33 542.96 20.02 o 5 6 0 949.17 954.55 47.31 o 7 6 0 1370.53 1217.30 112.45 o 1 7 0 147.97 132.10 28.39 o 2 7 0 42.15 56.41 30.21 o 3 7 0 2388.03 2389.47 46.95 o 4 7 0 665.71 740.57 48.04 o 5 7 0 425.19 417.41 66.96 o 6 7 0 387.75 360.28 120.46 o 1 8 0 979.99 966.93 50.95 o 3 8 0 235.74 209.25 53.50 o 5 8 0 432.87 412.32 96.80 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