#------------------------------------------------------------------------------ #$Date: 2018-04-30 19:32:52 +0300 (Mon, 30 Apr 2018) $ #$Revision: 207565 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242481.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_2242481 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 5.9926 _cell_length_b 5.9926 _cell_length_c 4.7177 _exptl_crystal_F_000 203.00 _reflns_d_resolution_high 0.8431 _cod_data_source_file wm5432SMB_Rb2ReF6_jsup4.hkl _cod_data_source_block SMB_Rb2ReF6_j _shelx_title ' SMB_Rb2ReF6_j_0m_a.res in P-3m1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 136.43 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z' '-x+y, y, z' 'x, 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 0 1 0 2336.79 2232.91 61.94 o -1 2 0 11703.78 11435.89 315.66 o 0 2 0 196.81 127.84 5.20 o -1 3 0 992.39 916.68 19.78 o 0 3 0 7713.61 7767.57 216.55 o -2 4 0 12482.10 12529.03 366.22 o -1 4 0 971.25 910.38 20.40 o 0 4 0 238.65 223.22 9.30 o -2 5 0 905.23 880.84 20.92 o -1 5 0 4418.28 4516.39 97.09 o 0 5 0 331.52 353.09 16.69 o -3 6 0 3526.17 3510.13 103.93 o -2 6 0 185.15 198.72 7.99 o -1 6 0 323.07 364.36 14.82 o 0 6 0 3676.38 4021.75 144.40 o -3 7 0 214.50 243.98 9.91 o 0 0 1 3342.34 3416.18 219.86 o -1 1 1 1332.64 1427.25 40.08 o 0 1 1 13276.14 15646.41 452.20 o -2 2 1 18612.13 20328.87 531.83 o -1 2 1 1750.09 1691.29 32.88 o 0 2 1 143.51 276.36 9.85 o -3 3 1 1703.97 1729.76 46.58 o -2 3 1 977.56 894.16 18.81 o -1 3 1 7712.18 7710.60 141.81 o 0 3 1 880.10 836.55 25.01 o -4 4 1 6.99 9.13 3.95 o -3 4 1 6176.26 6190.24 126.80 o -2 4 1 1429.10 1333.06 28.76 o -1 4 1 562.46 512.97 11.76 o 0 4 1 8079.92 8205.23 220.00 o -5 5 1 3153.62 3303.74 104.88 o -4 5 1 567.68 584.47 15.96 o -3 5 1 378.37 347.38 10.26 o -2 5 1 4944.20 4855.02 98.43 o -1 5 1 917.41 940.56 22.95 o 0 5 1 393.92 413.64 20.43 o -6 6 1 484.31 514.45 33.25 o -5 6 1 246.60 259.23 11.44 o -4 6 1 4485.23 4477.97 100.20 o -3 6 1 579.52 608.00 16.64 o -2 6 1 15.69 12.93 3.63 o -1 6 1 2740.54 2880.90 71.74 o 0 6 1 486.57 558.12 30.73 o 0 0 2 492.17 735.17 37.62 o -1 1 2 9329.68 8970.23 290.61 o 0 1 2 1735.56 1767.66 70.21 o -2 2 2 4770.25 4875.57 131.21 o -1 2 2 505.98 465.09 11.08 o 0 2 2 9356.85 10104.21 313.10 o -3 3 2 429.79 361.05 14.38 o -2 3 2 7366.79 7284.25 137.87 o -1 3 2 1606.13 1591.26 33.93 o 0 3 2 292.22 258.89 10.97 o -4 4 2 4864.87 4651.86 141.09 o -3 4 2 1078.14 1015.78 22.66 o -2 4 2 41.00 38.76 3.13 o -1 4 2 4806.23 4708.64 90.63 o 0 4 2 2175.75 2182.03 65.38 o -5 5 2 833.12 831.48 34.64 o -4 5 2 146.17 155.73 7.25 o -3 5 2 3323.63 3272.29 74.35 o -2 5 2 723.05 699.74 18.68 o -1 5 2 202.29 206.61 8.70 o 0 5 2 3458.40 3462.32 134.82 o -5 6 2 2507.97 2489.15 68.76 o -4 6 2 1205.12 1178.43 33.61 o -3 6 2 122.54 129.06 6.97 o -2 6 2 2910.78 2943.20 74.55 o -1 6 2 629.90 696.16 25.67 o 0 0 3 4405.88 4608.42 207.44 o -1 1 3 1872.88 1691.64 63.02 o 0 1 3 90.69 64.15 6.51 o -2 2 3 18.91 4.11 4.43 o -1 2 3 5805.77 5876.51 124.08 o 0 2 3 4695.07 4447.10 134.82 o -3 3 3 3891.44 3664.32 115.39 o -2 3 3 1479.99 1509.59 32.46 o -1 3 3 142.40 129.11 6.31 o 0 3 3 4735.42 4640.62 133.49 o -4 4 3 2364.81 2132.17 80.37 o -3 4 3 49.15 54.57 4.73 o -2 4 3 2692.82 2491.50 53.87 o -1 4 3 1185.92 1212.21 29.64 o 0 4 3 2.23 -1.45 4.52 o -5 5 3 91.68 88.14 10.54 o -4 5 3 2754.00 2571.88 64.31 o -3 5 3 919.05 924.53 25.33 o -2 5 3 16.45 26.95 4.56 o -1 5 3 2340.02 2224.44 64.17 o 0 5 3 749.37 757.26 39.13 o -3 6 3 1990.63 1882.60 60.10 o 0 0 4 3861.72 4072.86 213.68 o -1 1 4 11.74 22.22 6.72 o 0 1 4 3672.03 3659.02 127.87 o -2 2 4 1422.98 1488.85 59.03 o -1 2 4 1703.05 1255.57 65.11 o 0 2 4 26.18 34.15 7.49 o -3 3 4 1202.31 1206.84 65.39 o -2 3 4 0.37 5.52 4.77 o -1 3 4 2681.51 2689.02 62.09 o 0 3 4 1485.66 1494.81 55.49 o -4 4 4 14.87 27.68 9.74 o -3 4 4 2127.43 2026.56 67.39 o -2 4 4 2129.52 2077.62 49.87 o -1 4 4 8.52 17.13 5.14 o 0 4 4 997.76 1063.95 43.24 o 0 0 5 110.06 133.00 24.23 o -1 1 5 1690.99 1768.36 66.36 o 0 1 5 1686.07 1925.95 71.62 o -2 2 5 1663.17 1916.46 71.81 o -1 2 5 2.30 7.97 5.99 o 0 2 5 621.18 729.09 38.05 o -2 3 5 1257.95 1303.01 41.93 o -1 3 5 1180.07 1202.73 59.20 o