#------------------------------------------------------------------------------ #$Date: 2020-03-24 08:02:36 +0200 (Tue, 24 Mar 2020) $ #$Revision: 249654 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108595.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_2108595 _cell_angle_alpha 90.000 _cell_angle_beta 109.908 _cell_angle_gamma 90.000 _cell_length_a 17.4755 _cell_length_b 8.0506 _cell_length_c 14.1903 _exptl_crystal_F_000 828.00 _reflns_d_resolution_high 0.8037 _cod_data_source_file rm5029Isup2.hkl _cod_data_source_block I _shelx_title ' ha_mgomep_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 199.68 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 2 0 0 72.37 -28.84 50.90 o 3 0 0 5313.27 4188.74 292.45 o 4 0 0 843.77 563.59 129.76 o 5 0 0 975.32 547.03 156.24 o 6 0 0 3985.39 3215.79 361.07 o 7 0 0 2922.28 2377.81 336.52 o 8 0 0 871.61 578.08 191.37 o 9 0 0 4172.00 3602.08 492.30 o 10 0 0 1161.10 703.34 240.27 o 11 0 0 1587.35 1616.09 378.00 o 12 0 0 80.95 21.74 75.95 o 13 0 0 493.36 480.85 131.69 o 14 0 0 1096.33 1622.92 215.83 o 15 0 0 48.49 28.86 44.50 o 16 0 0 165.62 297.00 65.32 o 17 0 0 5.21 98.10 40.02 o 18 0 0 1.11 121.10 55.59 o 19 0 0 0.20 244.37 60.65 o 20 0 0 22.76 116.47 46.73 o 1 1 0 118.21 24.93 47.72 o 2 1 0 498.41 455.02 98.19 o 3 1 0 1363.22 937.26 159.11 o 4 1 0 1899.01 1783.17 256.71 o 5 1 0 1543.94 1157.26 213.97 o 6 1 0 379.15 262.70 119.74 o 7 1 0 4083.62 3514.89 427.06 o 8 1 0 1699.13 1623.58 285.79 o 9 1 0 833.58 623.64 132.33 o 10 1 0 0.46 32.74 59.53 o 11 1 0 1.18 78.43 76.91 o 12 1 0 56.53 8.26 40.76 o 13 1 0 1378.93 1947.93 151.52 o 14 1 0 196.02 317.30 83.59 o 15 1 0 117.96 149.05 48.31 o 16 1 0 1.06 9.94 27.03 o 17 1 0 0.47 50.55 26.21 o 18 1 0 13.77 44.85 24.22 o 19 1 0 18.64 21.44 28.90 o 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96.99 o -5 1 1 53.32 119.60 74.45 o -4 1 1 4066.95 3222.32 344.13 o -3 1 1 4085.44 3665.19 219.67 o -2 1 1 4022.43 5285.57 271.36 o -1 1 1 19.98 165.22 86.92 o 0 1 1 5114.11 8378.42 206.65 o 1 1 1 6728.26 8671.58 427.38 o 2 1 1 8.69 26.29 55.82 o 3 1 1 144.06 33.13 49.00 o 4 1 1 243.33 225.80 71.65 o 5 1 1 1601.34 1331.32 225.71 o 6 1 1 129.58 277.48 129.49 o 7 1 1 1492.24 1025.94 183.19 o 8 1 1 981.81 722.10 152.68 o 9 1 1 720.46 626.51 133.03 o 10 1 1 864.18 642.53 146.98 o 11 1 1 372.85 430.34 80.65 o 12 1 1 42.55 54.95 36.12 o 13 1 1 12.22 26.95 53.20 o 14 1 1 6.88 41.16 29.96 o 15 1 1 1.38 -15.36 31.01 o 16 1 1 7.19 50.97 26.39 o 17 1 1 1.28 -9.06 27.12 o 18 1 1 21.74 30.20 28.43 o 19 1 1 22.04 68.97 24.08 o -20 2 1 6.14 10.47 23.35 o -19 2 1 9.95 30.20 26.28 o -18 2 1 63.43 97.56 28.51 o -17 2 1 89.34 173.91 43.40 o -16 2 1 21.20 23.95 30.50 o -15 2 1 2.36 -35.96 35.96 o -14 2 1 40.80 13.72 36.30 o -13 2 1 10.80 35.99 62.01 o -12 2 1 109.93 54.46 62.11 o -11 2 1 77.59 56.62 66.39 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