#------------------------------------------------------------------------------ #$Date: 2016-04-06 19:41:49 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181913 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/12/2241287.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2241287 _cell_angle_alpha 94.597 _cell_angle_beta 103.178 _cell_angle_gamma 94.222 _cell_length_a 7.6194 _cell_length_b 9.2982 _cell_length_c 12.2341 _exptl_crystal_F_000 468.00 _reflns_d_resolution_high 0.8001 _cod_data_source_file rz5175IIsup3.hkl _cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' IMIB_Mo in P1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 183.25 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz '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 2 -1 -15 15.03 139.74 89.80 o 3 -1 -15 9.33 89.21 76.52 o 1 0 -15 81.34 105.49 82.28 o 2 0 -15 11.43 50.20 82.46 o 3 0 -15 2.04 -80.49 80.49 o 1 1 -15 6.75 7.89 56.81 o 2 1 -15 3.14 -91.38 91.38 o 3 1 -15 38.60 102.82 96.66 o 1 2 -15 25.62 -9.21 68.62 o 2 2 -15 42.37 179.86 102.08 o 3 2 -15 91.40 29.38 66.94 o 2 3 -15 32.16 39.55 70.15 o 1 -3 -14 101.35 36.45 100.20 o 2 -3 -14 76.74 75.02 100.98 o 3 -3 -14 6.91 75.97 79.16 o 4 -3 -14 14.59 70.69 73.95 o 0 -2 -14 106.95 173.33 99.52 o 1 -2 -14 88.24 250.16 114.84 o 2 -2 -14 1.17 8.34 88.02 o 3 -2 -14 76.68 23.55 69.74 o 4 -2 -14 74.21 87.60 94.52 o 5 -2 -14 57.87 151.56 60.92 o -1 -1 -14 82.81 -0.70 52.31 o 0 -1 -14 63.26 18.42 57.63 o 1 -1 -14 0.41 49.60 62.65 o 2 -1 -14 156.45 99.70 86.38 o 3 -1 -14 75.61 128.71 97.19 o 4 -1 -14 31.79 110.26 89.87 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50.27 o 0 1 -11 461.74 574.07 129.03 o 1 1 -11 72.03 185.15 87.66 o 2 1 -11 999.79 1003.52 182.10 o 3 1 -11 465.74 514.71 147.29 o 4 1 -11 195.80 175.90 51.28 o 5 1 -11 92.97 134.45 62.81 o 6 1 -11 347.36 277.00 58.05 o 7 1 -11 255.95 382.81 160.02 o -4 2 -11 59.61 44.44 54.62 o -3 2 -11 413.30 359.86 55.00 o -2 2 -11 331.81 332.78 64.58 o -1 2 -11 20.93 6.71 26.95 o 0 2 -11 106.01 103.92 32.65 o 1 2 -11 1578.60 1378.04 183.98 o 2 2 -11 628.43 368.66 87.27 o 3 2 -11 13.48 25.06 63.33 o 4 2 -11 35.31 81.49 89.28 o 5 2 -11 1098.61 1111.01 123.84 o 6 2 -11 242.24 259.83 104.27 o 7 2 -11 62.06 24.60 81.32 o -4 3 -11 269.54 322.97 117.34 o -3 3 -11 415.38 571.82 125.48 o -2 3 -11 41.08 33.11 75.71 o -1 3 -11 58.38 62.30 44.98 o 0 3 -11 561.36 518.87 75.98 o 1 3 -11 339.55 294.60 56.22 o 2 3 -11 30.27 28.79 37.78 o 3 3 -11 140.57 108.80 54.61 o 4 3 -11 749.83 765.37 181.55 o 5 3 -11 334.45 488.57 160.46 o 6 3 -11 0.75 228.54 124.54 o 7 3 -11 78.69 -68.99 89.63 o -4 4 -11 88.96 98.16 49.42 o 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