#------------------------------------------------------------------------------ #$Date: 2021-05-26 08:02:04 +0300 (Wed, 26 May 2021) $ #$Revision: 265498 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108815.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_2108815 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 6.1975 _cell_length_b 13.7440 _cell_length_c 32.3780 _exptl_crystal_F_000 1024.00 _reflns_d_resolution_high 0.8524 _cod_data_source_file eb50680minUV_01GPasup12.hkl _cod_data_source_block 0minUV_01GPa _shelx_title ' 0minuv_0.1GPa.res in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 87.25 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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 0 0 330.55 343.37 18.24 o 4 0 0 177.32 206.24 21.94 o 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119.38 18.07 o 3 7 0 3.18 6.68 14.52 o 4 7 0 67.09 84.60 25.98 o 5 7 0 1.85 65.66 36.53 o 6 7 0 39.03 22.45 31.78 o 1 8 0 432.87 476.88 47.27 o 2 8 0 1.56 8.50 20.11 o 3 8 0 169.25 182.56 29.01 o 4 8 0 53.10 38.01 21.82 o 5 8 0 0.15 3.31 37.68 o 2 9 0 237.65 320.36 47.92 o 3 9 0 13.15 -18.57 25.37 o 4 9 0 22.19 -47.14 47.14 o 5 9 0 5.74 10.67 35.62 o 2 10 0 239.13 300.94 69.51 o 3 10 0 570.01 314.32 117.92 o 4 10 0 75.36 44.24 56.40 o 5 10 0 1.94 34.06 60.90 o 2 0 1 11.90 -2.71 4.85 o 3 0 1 172.00 168.58 11.77 o 4 0 1 2648.52 2713.22 52.72 o 5 0 1 39.14 53.44 13.28 o 6 0 1 8.12 -23.87 37.39 o -6 1 1 2.46 36.86 27.93 o -5 1 1 289.82 326.76 38.95 o -4 1 1 76.38 70.68 11.08 o -3 1 1 163.88 153.85 9.62 o -2 1 1 980.63 1007.09 29.09 o 2 1 1 981.49 972.75 28.43 o 3 1 1 164.43 165.37 10.00 o 4 1 1 76.20 83.53 11.60 o 5 1 1 289.83 361.87 31.14 o 6 1 1 2.45 5.22 22.47 o -6 2 1 39.37 58.46 26.12 o -5 2 1 5.06 15.98 17.21 o -4 2 1 128.65 104.13 14.12 o -3 2 1 44.38 37.49 6.38 o -2 2 1 206.50 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6.55 o 4 1 2 277.55 290.65 18.30 o 5 1 2 58.94 64.98 19.50 o 6 1 2 5.06 -35.47 35.47 o -6 2 2 12.33 25.21 24.40 o -5 2 2 188.24 141.91 26.64 o -4 2 2 380.83 348.88 22.44 o -3 2 2 271.50 265.08 13.62 o -2 2 2 1787.33 1841.40 36.19 o 2 2 2 1787.82 1882.35 34.96 o 3 2 2 272.37 293.49 13.91 o 4 2 2 380.48 347.81 23.84 o 5 2 2 188.04 198.06 39.57 o 6 2 2 12.29 19.91 20.93 o 7 2 2 0.63 -60.23 68.13 o -7 3 2 9.01 54.37 41.90 o -6 3 2 17.20 11.92 23.71 o -5 3 2 116.45 132.57 40.95 o -4 3 2 563.34 511.58 34.76 o -3 3 2 135.15 150.60 12.66 o -2 3 2 1329.99 1290.67 33.14 o -1 3 2 2698.46 2601.70 101.84 o 1 3 2 2699.42 2823.22 104.45 o 2 3 2 1330.25 1293.72 30.64 o 3 3 2 134.61 140.40 11.89 o 4 3 2 563.54 574.09 34.57 o 5 3 2 116.54 99.83 22.64 o 6 3 2 17.27 10.24 20.62 o 7 3 2 8.99 -35.38 35.38 o -7 4 2 6.85 -82.87 89.24 o -6 4 2 11.89 36.32 25.10 o -5 4 2 24.11 19.94 19.50 o -4 4 2 26.58 44.98 14.48 o -3 4 2 1264.50 1201.52 41.84 o -2 4 2 1570.56 1575.10 45.20 o -1 4 2 2454.88 2363.86 93.70 o 1 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18.79 o 6 5 3 23.26 17.65 24.53 o -6 6 3 52.44 65.18 49.93 o -5 6 3 68.78 56.53 30.20 o -4 6 3 539.73 493.76 44.30 o -3 6 3 57.14 115.45 20.54 o -2 6 3 297.69 327.37 41.55 o -1 6 3 1396.64 1557.66 78.05 o 0 6 3 203.22 214.50 25.76 o 1 6 3 1396.90 1543.70 65.00 o 2 6 3 297.55 343.71 32.13 o 3 6 3 57.13 72.66 19.27 o 4 6 3 539.42 577.13 49.79 o 5 6 3 68.85 77.86 32.59 o 6 6 3 52.41 81.14 58.13 o -6 7 3 30.00 -9.69 38.81 o -5 7 3 56.14 57.98 56.62 o -4 7 3 113.45 129.94 31.09 o -3 7 3 147.12 161.47 33.19 o -2 7 3 67.99 59.73 22.39 o -1 7 3 640.82 561.99 66.41 o 0 7 3 427.22 455.76 39.50 o 1 7 3 639.62 556.97 31.61 o 2 7 3 67.98 71.54 18.41 o 3 7 3 147.41 217.69 31.45 o 4 7 3 113.59 106.59 31.28 o 5 7 3 56.10 -18.46 65.94 o 6 7 3 29.99 3.17 45.68 o -5 8 3 43.47 17.67 38.37 o -4 8 3 630.46 719.48 82.13 o -3 8 3 211.97 206.43 40.41 o -2 8 3 28.66 27.78 23.69 o -1 8 3 259.59 222.60 32.82 o 0 8 3 123.93 96.58 29.08 o 1 8 3 259.46 262.81 26.75 o 2 8 3 28.62 -9.04 17.74 o 3 8 3 212.28 323.31 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