#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:44:45 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199177 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242212.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_2242212 _cell_angle_alpha 89.343(4) _cell_angle_beta 104.096(4) _cell_angle_gamma 92.748(9) _cell_length_a 14.945(3) _cell_length_b 5.8212(9) _cell_length_c 3.9699(6) _exptl_crystal_F_000 272 _reflns_d_resolution_high 0.6580 _cod_data_source_file pk2601LT_RbHCO3sup3.hkl _cod_data_source_block LT_RbHCO3 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 156.09 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' 'x+1/2, y+1/2, z' '-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 1837.27 2007.06 75.09 o 4 0 0 10966.60 11774.60 436.80 o 6 0 0 5551.02 5711.52 257.31 o 8 0 0 3086.28 3048.35 148.58 o 10 0 0 1409.70 1307.58 59.09 o 12 0 0 4386.94 4337.66 212.96 o 14 0 0 15.90 11.69 13.89 < 16 0 0 563.99 573.52 43.58 o 18 0 0 488.31 489.70 45.56 o 20 0 0 32.19 36.06 33.86 < -21 1 0 281.46 314.77 58.18 o -19 1 0 805.10 780.85 73.16 o -17 1 0 0.98 0.00 39.96 < -15 1 0 2115.86 2125.71 108.37 o -13 1 0 2146.52 2257.03 129.60 o -11 1 0 33.27 42.88 16.80 < -9 1 0 6087.22 6243.12 244.53 o -7 1 0 5634.31 6123.74 203.79 o -5 1 0 2831.40 2770.36 64.54 o -3 1 0 8061.94 7959.28 218.33 o -1 1 0 393.08 366.18 6.98 o 1 1 0 757.43 675.60 12.28 o 3 1 0 8578.84 8070.38 197.48 o 5 1 0 1152.60 1062.98 64.24 o 7 1 0 5646.36 5447.42 207.29 o 9 1 0 5467.86 5614.06 242.74 o 11 1 0 2.58 6.58 17.05 < 13 1 0 2728.76 2712.14 128.73 o 15 1 0 1740.36 1871.60 107.58 o 17 1 0 36.17 27.04 40.45 < 19 1 0 755.52 794.00 72.49 o 21 1 0 244.76 236.57 58.24 o -20 2 0 0.46 38.25 79.91 < -18 2 0 953.60 1196.24 77.77 o -16 2 0 431.76 501.64 60.27 o -14 2 0 618.16 643.68 35.20 o -12 2 0 1583.02 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524.54 21.05 o 3 5 0 3272.64 3393.34 63.37 o 5 5 0 108.62 103.30 11.46 o 7 5 0 3434.25 3379.94 70.62 o 9 5 0 1102.47 1142.40 30.06 o 11 5 0 98.85 101.84 15.34 o 13 5 0 1011.59 1104.39 38.79 o 15 5 0 710.19 756.97 41.44 o 17 5 0 119.23 196.12 39.38 o -16 6 0 115.61 167.86 37.71 o -14 6 0 205.87 251.92 28.16 o -12 6 0 1193.92 1278.59 42.71 o -10 6 0 53.50 90.39 15.05 o -8 6 0 884.67 965.28 33.51 o -6 6 0 1703.88 1847.48 40.23 o -4 6 0 468.08 503.11 24.17 o -2 6 0 2013.56 2109.87 45.87 o 0 6 0 4517.68 4876.09 87.79 o 2 6 0 2.30 15.11 14.37 < 4 6 0 2308.89 2436.59 49.29 o 6 6 0 1471.43 1545.13 41.68 o 8 6 0 6.16 20.95 15.59 < 10 6 0 1030.17 1099.76 36.49 o 12 6 0 616.60 661.71 42.94 o 14 6 0 17.38 75.04 34.57 < -13 7 0 369.47 482.40 56.04 o -11 7 0 433.86 507.00 55.62 o -9 7 0 1308.15 1365.08 59.84 o -7 7 0 65.00 73.82 37.03 < -5 7 0 560.29 635.89 43.33 o -3 7 0 1409.56 1582.89 64.95 o -1 7 0 36.41 76.99 28.24 < 1 7 0 1302.43 1526.61 64.70 o 3 7 0 730.80 852.96 48.43 o 5 7 0 6.15 13.16 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633.45 29.55 o 15 3 1 52.57 59.45 18.27 o 17 3 1 953.48 956.99 50.66 o 19 3 1 107.60 118.65 30.93 o -20 4 1 270.51 353.51 46.38 o -18 4 1 224.83 249.24 30.40 o -16 4 1 106.34 134.73 22.13 o -14 4 1 1290.36 1255.93 38.07 o -12 4 1 383.79 329.64 18.55 o -10 4 1 1187.27 1106.10 29.12 o -8 4 1 3345.94 3059.07 64.06 o -6 4 1 8.89 13.89 8.53 < -4 4 1 4482.55 4333.28 80.41 o -2 4 1 3163.86 3054.44 56.20 o 0 4 1 110.27 117.92 9.23 o 2 4 1 4202.11 3977.08 75.41 o 4 4 1 3746.74 3591.41 62.40 o 6 4 1 72.52 86.49 9.71 o 8 4 1 3454.51 3527.82 65.47 o 10 4 1 1752.33 1797.78 39.16 o 12 4 1 77.15 80.64 15.34 o 14 4 1 1460.02 1529.54 41.48 o 16 4 1 399.85 442.93 29.31 o -19 5 1 174.72 177.37 33.37 o -17 5 1 638.02 696.79 46.80 o -15 5 1 226.38 256.30 21.84 o -13 5 1 1125.94 1121.94 40.47 o -11 5 1 2206.75 2175.65 54.18 o -9 5 1 4.31 15.11 11.45 < -7 5 1 869.93 807.16 28.75 o -5 5 1 3191.91 3020.09 60.37 o -3 5 1 991.22 955.78 26.90 o -1 5 1 4336.70 4148.36 80.87 o 1 5 1 3355.06 3344.85 66.16 o 3 5 1 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