#------------------------------------------------------------------------------ #$Date: 2022-01-07 01:04:59 +0200 (Fri, 07 Jan 2022) $ #$Revision: 271898 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243977.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_2243977 _cell_angle_alpha 90.000 _cell_angle_beta 95.028 _cell_angle_gamma 90.000 _cell_length_a 34.1596 _cell_length_b 13.5237 _cell_length_c 16.2986 _exptl_crystal_F_000 4016.00 _reflns_d_resolution_high 0.7977 _cod_data_source_file vm22562sup3.hkl _cod_data_source_block 2 _shelx_title ' 11MLT29_0m_a.res in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 945.08 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 4 0 0 794807.62 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27377.80 26827.25 534.45 o 21 1 0 76678.59 73852.26 763.51 o 23 1 0 60840.66 59983.77 735.12 o 25 1 0 58144.19 60630.41 786.91 o 27 1 0 18860.20 21091.16 554.49 o 29 1 0 47199.37 45079.64 811.90 o 31 1 0 4275.46 5406.19 503.92 o 33 1 0 41350.09 48302.18 943.60 o 35 1 0 2270.33 3837.09 680.49 o 37 1 0 27370.65 28602.00 902.86 o 39 1 0 2414.33 2347.70 746.67 o 41 1 0 14974.89 16652.30 975.05 o 0 2 0 218577.58 255024.44 1408.40 o 2 2 0 1908.92 2292.35 153.40 o 4 2 0 32887.12 36210.75 407.28 o 6 2 0 12866.15 11738.73 239.56 o 8 2 0 1512.62 3044.43 181.64 o 10 2 0 75662.98 78096.20 559.93 o 12 2 0 23680.26 25181.17 424.36 o 14 2 0 64337.45 62056.51 656.04 o 16 2 0 113649.94 110058.94 832.11 o 18 2 0 16008.43 14772.04 398.44 o 20 2 0 106420.04 99994.77 849.21 o 22 2 0 1618.49 2211.29 340.34 o 24 2 0 49344.48 47264.79 734.10 o 26 2 0 2457.03 3112.93 408.91 o 28 2 0 15634.30 14132.93 569.47 o 30 2 0 488.55 -124.18 467.15 o 32 2 0 6260.46 5839.41 575.56 o 34 2 0 15.18 -539.71 539.71 o 36 2 0 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