#------------------------------------------------------------------------------ #$Date: 2016-09-17 04:36:50 +0300 (Sat, 17 Sep 2016) $ #$Revision: 186608 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241850.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_2241850 _cell_angle_alpha 96.194 _cell_angle_beta 102.487 _cell_angle_gamma 99.443 _cell_length_a 9.3884 _cell_length_b 10.0610 _cell_length_c 13.3572 _exptl_crystal_F_000 624.00 _reflns_d_resolution_high 0.6981 _cod_data_source_file hb7616Isup2.hkl _cod_data_source_block I _shelx_title ' ALLY3129_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 236.35 _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 9352.84 8999.83 527.26 o 2 0 0 11041.55 11955.23 395.48 o 3 0 0 14157.40 14423.79 481.48 o 4 0 0 6082.68 6048.89 125.77 o 5 0 0 5376.59 5277.94 112.27 o 6 0 0 8.68 13.46 10.53 o 7 0 0 5941.45 5874.63 151.11 o 8 0 0 5587.37 5513.68 145.30 o 9 0 0 1653.67 1603.65 73.28 o 10 0 0 55.70 39.69 19.61 o 11 0 0 39.04 21.52 22.23 o 12 0 0 2118.86 1991.92 129.42 o -12 1 0 2769.73 2695.80 90.28 o -11 1 0 1440.79 1368.45 57.69 o -10 1 0 925.30 883.21 44.61 o -9 1 0 2.07 -2.21 15.66 o -8 1 0 2221.98 2383.60 73.28 o -7 1 0 11064.54 10741.25 263.03 o -6 1 0 7488.89 7265.45 172.48 o -5 1 0 59.79 75.00 7.32 o -4 1 0 1695.06 1573.35 36.54 o -3 1 0 8515.91 8495.34 201.98 o -2 1 0 7276.22 7408.54 169.39 o -1 1 0 1955.43 2065.24 48.41 o 0 1 0 7534.71 7352.74 225.22 o 1 1 0 25281.53 23813.53 1684.67 o 2 1 0 32736.42 32183.80 1289.11 o 3 1 0 3915.64 3913.11 183.33 o 4 1 0 512.88 513.53 17.42 o 5 1 0 10089.26 10406.39 213.68 o 6 1 0 6320.55 6431.42 137.05 o 7 1 0 2174.07 2154.66 75.40 o 8 1 0 805.43 808.11 37.07 o 9 1 0 6508.71 6210.04 163.88 o 10 1 0 1711.94 1749.31 78.24 o 11 1 0 609.11 542.99 66.66 o 12 1 0 6.58 36.07 30.18 o -13 2 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