#------------------------------------------------------------------------------ #$Date: 2016-05-14 04:13:36 +0300 (Sat, 14 May 2016) $ #$Revision: 182941 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/74/2107498.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_2107498 _cell_angle_alpha 69.521 _cell_angle_beta 77.152 _cell_angle_gamma 87.168 _cell_length_a 12.7463 _cell_length_b 12.7843 _cell_length_c 14.4175 _exptl_crystal_F_000 1148.00 _reflns_d_resolution_high 0.8378 _cod_data_source_file xk5028CCDC1422433sup5.hkl _cod_data_source_block CCDC1422433 _shelx_title ' 13gyte336_Trimer_ClO4_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 306.59 _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 1964.07 1739.73 46.65 o 2 0 0 5527.89 5077.85 105.55 o 3 0 0 17294.67 18261.00 372.91 o 4 0 0 14777.28 13974.00 261.78 o 5 0 0 12612.69 12683.96 239.38 o 6 0 0 9530.71 8642.17 166.47 o 7 0 0 0.06 48.44 6.82 o 8 0 0 5024.81 4781.37 97.99 o 9 0 0 5469.29 5951.06 134.52 o 10 0 0 4844.36 5033.69 114.94 o 11 0 0 1030.23 1054.00 34.63 o 12 0 0 208.84 220.81 15.26 o 13 0 0 304.88 322.88 30.59 o 14 0 0 799.34 768.18 36.97 o -14 1 0 1007.91 1083.06 117.13 o -13 1 0 57.16 59.84 11.67 o -12 1 0 114.44 123.49 14.70 o -11 1 0 3889.30 3774.65 103.33 o -10 1 0 986.52 961.01 30.77 o -9 1 0 9627.75 9465.28 203.00 o -8 1 0 1562.79 1567.48 37.73 o -7 1 0 187.40 125.03 7.74 o -6 1 0 1505.61 1487.57 33.99 o -5 1 0 8002.08 8102.56 160.26 o -4 1 0 3362.90 3548.41 76.32 o -3 1 0 5338.63 4836.67 111.67 o -2 1 0 730.52 515.00 15.88 o -1 1 0 7949.42 6776.17 149.98 o 0 1 0 1409.74 1138.17 37.07 o 1 1 0 488.90 551.65 27.02 o 2 1 0 6342.49 6246.83 155.52 o 3 1 0 8308.31 8755.97 164.19 o 4 1 0 6146.44 6090.92 107.63 o 5 1 0 18593.98 19486.65 385.66 o 6 1 0 61.93 15.23 4.58 o 7 1 0 7.78 24.33 5.65 o 8 1 0 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