#------------------------------------------------------------------------------ #$Date: 2019-05-21 07:48:09 +0300 (Tue, 21 May 2019) $ #$Revision: 215345 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021634.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_2021634 _cell_angle_alpha 97.828 _cell_angle_beta 105.173 _cell_angle_gamma 90.350 _cell_length_a 15.3886 _cell_length_b 15.9246 _cell_length_c 20.2111 _exptl_crystal_F_000 2340.00 _reflns_d_resolution_high 0.6700 _cod_data_source_file fn3305Isup2.hkl _cod_data_source_block I _shelx_title ' rds512_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 874.57 _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 0 294.93 -3.93 3.93 o 2 0 0 62209.15 68418.94 390.22 o 3 0 0 2964.66 2607.47 25.47 o 4 0 0 10779.54 9982.09 70.80 o 5 0 0 378.10 421.68 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4785.75 4950.31 80.13 o 12 9 0 668.50 602.19 48.34 o 13 9 0 3269.09 3491.61 87.36 o 14 9 0 405.37 290.57 58.48 o 15 9 0 69.99 48.53 57.98 o 16 9 0 645.19 601.43 142.87 o 17 9 0 1953.40 1823.37 120.52 o 18 9 0 6.20 -70.66 70.66 o 19 9 0 666.40 397.86 96.43 o 20 9 0 81.37 84.76 90.63 o -20 10 0 430.11 332.28 102.64 o -19 10 0 753.86 884.64 80.18 o -18 10 0 3.80 -63.98 63.98 o -17 10 0 1243.63 1250.80 83.10 o -16 10 0 127.24 7.60 53.76 o -15 10 0 4.18 -20.23 49.35 o -14 10 0 4.07 20.30 47.90 o -13 10 0 2480.10 2563.84 96.14 o -12 10 0 4055.16 4002.44 91.24 o -11 10 0 699.43 774.84 47.86 o -10 10 0 76.56 31.92 30.59 o -9 10 0 373.42 368.43 34.92 o -8 10 0 432.38 429.14 36.39 o -7 10 0 1422.01 1539.08 54.67 o -6 10 0 8626.75 9050.74 100.77 o -5 10 0 14221.84 14575.07 108.33 o -4 10 0 10521.34 10035.06 80.51 o -3 10 0 1447.51 1496.83 34.58 o -2 10 0 8336.58 9695.91 76.84 o -1 10 0 15496.46 14644.14 103.62 o 0 10 0 443.77 453.72 24.25 o 1 10 0 1870.91 1624.31 32.08 o 2 10 0 1023.84 914.38 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