#------------------------------------------------------------------------------ #$Date: 2018-10-18 05:37:12 +0300 (Thu, 18 Oct 2018) $ #$Revision: 211523 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/12/2021268.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_2021268 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 14.9066 _cell_length_b 14.9066 _cell_length_c 27.9476 _exptl_crystal_F_000 2766.00 _reflns_d_resolution_high 0.8395 _cod_data_source_file lf30801502116sup7.hkl _cod_data_source_block 1502116 _shelx_title ' 1 in P6(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 481.08 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z+1/3' '-x+y, -x, z+2/3' '-x, -y, z+1/2' 'y, -x+y, z+5/6' 'x-y, x, z+1/6' 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 -2 5 -31 4983.38 5396.16 797.33 o -1 5 -31 4401.07 5215.23 826.78 o 0 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13339.86 14692.30 414.61 o -1 2 30 11950.29 12981.36 367.51 o 0 2 30 12167.24 13500.81 377.57 o -2 3 30 9148.40 9066.68 357.49 o -1 3 30 9157.49 9600.07 370.14 o 0 3 30 7786.08 7999.83 315.28 o -3 4 30 4810.85 5104.21 252.92 o -2 4 30 5778.78 5306.51 277.82 o -1 4 30 4484.68 3843.97 233.61 o 0 4 30 2989.09 3473.87 213.97 o -4 5 30 1230.62 1396.62 150.39 o -3 5 30 1781.28 1986.33 179.52 o -2 5 30 1764.75 1649.11 182.54 o -1 5 30 830.05 857.78 148.03 o 0 5 30 380.29 308.37 121.23 o -5 6 30 133.21 107.11 122.70 o -4 6 30 119.19 132.93 111.05 o -3 6 30 367.90 267.49 116.57 o -2 6 30 162.87 50.63 116.77 o -1 6 30 19.07 -19.62 117.70 o 0 6 30 76.73 138.60 125.68 o -6 7 30 284.44 205.24 133.93 o -5 7 30 199.32 230.57 132.97 o -4 7 30 119.24 208.03 119.33 o -3 7 30 63.93 63.25 119.07 o -2 7 30 306.45 408.34 142.59 o -1 7 30 536.35 471.01 145.61 o 0 1 31 1400.66 1748.94 186.79 o -1 2 31 3256.85 3653.28 303.73 o 0 2 31 3280.44 3466.70 237.43 o -2 3 31 4429.71 4612.41 255.45 o -1 3 31 4041.84 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