#------------------------------------------------------------------------------ #$Date: 2020-10-23 07:34:41 +0300 (Fri, 23 Oct 2020) $ #$Revision: 258572 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022264.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_2022264 _cell_angle_alpha 105.466 _cell_angle_beta 92.700 _cell_angle_gamma 103.416 _cell_length_a 8.2423 _cell_length_b 10.6568 _cell_length_c 12.4175 _exptl_crystal_F_000 482.00 _reflns_d_resolution_high 0.7976 _cod_data_source_file sk37542sup3.hkl _cod_data_source_block 2 _shelx_title ' mo_1021_11P 1 R' _shelx_refln_list_code 4 _shelx_f_calc_maximum 195.97 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-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 1 0 0 2826.01 2583.73 67.46 o 2 0 0 2065.13 2026.57 36.50 o 3 0 0 2574.92 2557.75 53.47 o 4 0 0 32.88 7.27 17.57 o 5 0 0 6066.76 5997.71 102.97 o 6 0 0 1149.63 1113.53 43.89 o 7 0 0 37.37 46.45 21.36 o 8 0 0 637.81 648.54 44.02 o 9 0 0 166.16 178.40 33.59 o -10 1 0 244.51 248.59 37.02 o -9 1 0 3.78 7.41 23.32 o -8 1 0 774.90 854.71 44.72 o -7 1 0 1030.07 1009.82 52.16 o -6 1 0 91.29 87.15 19.89 o -5 1 0 2030.45 2125.05 49.18 o -4 1 0 322.23 246.83 18.76 o -3 1 0 53.52 23.61 11.18 o -2 1 0 14244.13 14941.89 171.21 o -1 1 0 133.51 71.92 8.30 o 1 1 0 313.92 376.59 12.99 o 2 1 0 1509.53 1507.50 31.00 o 3 1 0 3619.46 3482.91 51.83 o 4 1 0 2033.12 2091.94 50.18 o 5 1 0 1242.96 1207.14 41.83 o 6 1 0 856.62 735.45 36.93 o 7 1 0 15.95 24.20 20.66 o 8 1 0 346.63 333.17 26.68 o 9 1 0 278.45 252.72 29.63 o -10 2 0 130.64 41.23 53.60 o -9 2 0 70.35 31.81 38.68 o -8 2 0 357.22 235.38 42.43 o -7 2 0 437.22 369.27 31.99 o -6 2 0 1.57 -8.54 19.26 o -5 2 0 510.63 492.21 26.30 o -4 2 0 3052.50 3166.50 58.95 o -3 2 0 288.89 275.52 18.63 o -2 2 0 1875.39 1722.51 35.77 o -1 2 0 966.18 1111.05 21.73 o 0 2 0 13139.96 13928.34 130.41 o 1 2 0 4583.86 4606.33 61.44 o 2 2 0 36.46 36.69 11.41 o 3 2 0 785.30 740.76 26.47 o 4 2 0 2090.02 2027.09 44.42 o 5 2 0 142.95 103.93 20.62 o 6 2 0 1433.98 1345.51 50.48 o 7 2 0 452.95 446.51 36.73 o 8 2 0 213.57 225.92 20.92 o 9 2 0 448.05 504.43 45.48 o -10 3 0 90.96 72.72 39.25 o -9 3 0 435.47 419.66 51.36 o -8 3 0 23.96 67.07 26.07 o -7 3 0 1037.29 1108.73 54.97 o -6 3 0 561.54 540.37 42.76 o -5 3 0 9.25 8.14 16.71 o -4 3 0 686.17 605.76 29.39 o -3 3 0 3140.35 3351.66 52.11 o -2 3 0 1594.89 1679.45 35.55 o -1 3 0 104.13 51.34 7.82 o 0 3 0 25.77 10.24 6.91 o 1 3 0 3837.52 3761.95 55.74 o 2 3 0 7214.53 7604.94 90.62 o 3 3 0 10.56 -12.14 12.14 o 4 3 0 1971.79 2044.69 44.53 o 5 3 0 196.17 180.84 20.77 o 6 3 0 994.40 1030.86 37.07 o 7 3 0 368.95 400.74 32.31 o 8 3 0 45.58 44.43 22.61 o 9 3 0 189.90 236.34 26.92 o -10 4 0 0.09 -11.74 25.27 o -9 4 0 512.19 512.61 32.78 o -8 4 0 407.19 417.99 34.75 o -7 4 0 291.38 316.02 32.73 o -6 4 0 983.10 903.22 38.31 o -5 4 0 290.05 332.52 20.96 o -4 4 0 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48.62 29.26 o 0 -11 1 275.27 271.63 24.70 o 1 -11 1 152.30 128.10 22.87 o 2 -11 1 75.02 108.12 21.37 o 3 -11 1 45.69 85.79 19.12 o 4 -11 1 187.91 177.94 19.81 o 5 -11 1 242.45 237.82 23.43 o 6 -11 1 194.00 177.31 23.89 o 7 -11 1 14.24 -0.56 24.48 o -4 -10 1 672.67 636.34 34.71 o -3 -10 1 89.00 57.74 24.45 o -2 -10 1 427.89 448.42 24.27 o -1 -10 1 246.31 256.65 31.28 o 0 -10 1 3.07 -21.94 21.94 o 1 -10 1 612.83 631.36 33.82 o 2 -10 1 503.34 497.55 28.53 o 3 -10 1 65.18 56.30 17.38 o 4 -10 1 847.77 874.20 37.57 o 5 -10 1 119.16 102.99 24.69 o 6 -10 1 185.39 162.78 20.61 o 7 -10 1 188.12 211.14 27.32 o 8 -10 1 0.77 0.21 33.38 o -5 -9 1 18.46 30.81 33.14 o -4 -9 1 674.90 667.70 60.97 o -3 -9 1 375.75 339.39 28.98 o -2 -9 1 28.73 18.09 15.80 o -1 -9 1 1126.82 1209.68 83.28 o 0 -9 1 784.82 803.94 41.00 o 1 -9 1 530.09 538.27 32.77 o 2 -9 1 531.01 535.62 20.97 o 3 -9 1 10.64 15.79 12.94 o 4 -9 1 842.48 905.45 38.38 o 5 -9 1 461.75 460.77 45.29 o 6 -9 1 41.08 19.97 22.20 o 7 -9 1 214.70 225.02 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896.51 40.14 o 9 0 1 404.82 404.49 38.06 o -10 1 1 284.58 302.82 33.76 o -9 1 1 57.54 51.90 30.80 o -8 1 1 264.29 234.82 36.35 o -7 1 1 654.17 693.72 65.04 o -6 1 1 258.15 256.42 28.22 o -5 1 1 3454.17 3479.82 64.46 o -4 1 1 4195.75 4345.52 71.55 o -3 1 1 535.21 569.31 21.43 o -2 1 1 218.81 179.68 12.19 o -1 1 1 11176.27 11915.31 134.56 o 0 1 1 3.14 4.19 3.18 o 1 1 1 10654.12 10952.84 87.92 o 2 1 1 142.62 144.02 10.64 o 3 1 1 418.92 373.91 19.42 o 4 1 1 5595.27 5536.05 82.30 o 5 1 1 52.59 58.30 14.73 o 6 1 1 2904.59 2860.03 64.30 o 7 1 1 87.54 60.87 17.31 o 8 1 1 211.07 220.87 24.62 o 9 1 1 425.32 467.04 27.80 o -10 2 1 56.32 210.32 48.09 o -9 2 1 202.88 219.29 43.95 o -8 2 1 29.03 24.72 23.18 o -7 2 1 718.61 660.65 40.70 o -6 2 1 401.81 454.65 48.95 o -5 2 1 814.40 875.87 34.58 o -4 2 1 4199.97 4225.40 64.48 o -3 2 1 380.77 343.26 21.80 o -2 2 1 1372.55 1408.50 31.60 o -1 2 1 14851.76 14177.68 145.34 o 0 2 1 3.97 1.35 4.87 o 1 2 1 7107.90 6787.27 67.19 o 2 2 1 1798.97 1852.88 33.14 o 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