#------------------------------------------------------------------------------ #$Date: 2016-10-07 04:52:53 +0300 (Fri, 07 Oct 2016) $ #$Revision: 186992 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/06/2020604.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_2020604 _cell_angle_alpha 90.000 _cell_angle_beta 93.493 _cell_angle_gamma 90.000 _cell_length_a 20.4544 _cell_length_b 11.9881 _cell_length_c 21.4952 _exptl_crystal_F_000 2600.00 _reflns_d_resolution_high 0.7995 _cod_data_source_file yp3124agsup2.hkl _cod_data_source_block ag _shelx_title ' ag_a.res in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 805.34 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 36118.64 42102.19 754.66 o 4 0 0 265650.75 324758.44 5714.35 o 6 0 0 14119.25 14617.49 297.68 o 8 0 0 20002.89 21962.42 440.90 o 10 0 0 17556.72 16369.82 355.12 o 12 0 0 11.16 40.84 40.58 o 14 0 0 16072.76 14505.20 365.54 o 16 0 0 374.52 428.57 72.54 o 18 0 0 5207.05 4805.09 187.24 o 20 0 0 1736.43 1434.62 125.11 o 22 0 0 5063.01 4767.40 204.86 o 24 0 0 1042.18 1431.81 236.34 o 1 1 0 28559.40 36074.87 491.21 o 3 1 0 10330.79 12639.35 173.43 o 5 1 0 13810.66 11595.80 170.10 o 7 1 0 1687.70 1268.12 49.14 o 9 1 0 59747.32 64078.56 838.39 o 11 1 0 3125.26 2885.83 81.04 o 13 1 0 36332.76 37580.43 531.21 o 15 1 0 12437.96 12167.36 221.68 o 17 1 0 913.28 952.86 68.68 o 19 1 0 9186.57 9815.44 208.05 o 21 1 0 608.62 655.72 67.55 o 23 1 0 940.19 890.54 103.40 o 25 1 0 14.05 -42.53 79.70 o 0 2 0 46679.01 57141.77 1182.17 o 2 2 0 3221.68 2487.36 57.84 o 4 2 0 5761.63 7497.31 124.77 o 6 2 0 3513.79 2801.33 77.04 o 8 2 0 24231.60 26235.82 366.85 o 10 2 0 15174.10 13885.92 221.44 o 12 2 0 5173.21 5762.27 123.93 o 14 2 0 6696.10 6210.70 185.88 o 16 2 0 109.86 102.70 40.50 o 18 2 0 1893.48 1723.05 86.18 o 20 2 0 1548.04 1758.88 89.06 o 22 2 0 1329.57 1512.90 120.85 o 24 2 0 117.70 81.02 74.29 o 1 3 0 386.13 488.91 33.91 o 3 3 0 9108.21 8997.06 147.37 o 5 3 0 40920.23 43868.10 614.32 o 7 3 0 7004.85 7074.53 125.32 o 9 3 0 14458.16 14956.08 232.47 o 11 3 0 1092.26 810.74 50.67 o 13 3 0 8827.88 8531.99 167.12 o 15 3 0 3097.40 2849.30 94.74 o 17 3 0 3797.65 3750.91 114.25 o 19 3 0 5106.80 5296.87 182.02 o 21 3 0 251.45 247.77 69.81 o 23 3 0 1287.90 1503.56 147.40 o 25 3 0 93.41 96.72 117.55 o 0 4 0 99790.69 109732.27 2268.17 o 2 4 0 94.75 228.56 26.73 o 4 4 0 61744.18 66160.88 913.47 o 6 4 0 9894.55 9817.06 169.67 o 8 4 0 17610.71 17876.90 269.56 o 10 4 0 9983.28 9284.31 188.10 o 12 4 0 918.89 1035.58 56.79 o 14 4 0 9150.70 8523.26 172.16 o 16 4 0 1156.91 1287.48 72.95 o 18 4 0 5298.07 5223.56 210.52 o 20 4 0 1195.11 1353.40 117.57 o 22 4 0 230.95 282.99 113.04 o 24 4 0 139.09 175.32 97.39 o 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17.55 -41.33 66.83 o 0 8 0 3654.43 3834.50 159.06 o 2 8 0 855.58 677.26 65.91 o 4 8 0 18.08 68.76 57.94 o 6 8 0 342.82 443.59 45.65 o 8 8 0 65.14 141.92 60.43 o 10 8 0 135.86 210.79 57.67 o 12 8 0 281.23 292.58 60.83 o 14 8 0 672.55 608.84 79.41 o 16 8 0 3.59 -30.49 58.82 o 18 8 0 76.12 37.71 87.03 o 20 8 0 0.84 78.41 73.14 o 1 9 0 7524.32 8080.88 202.72 o 3 9 0 1462.61 1296.74 75.07 o 5 9 0 45.42 261.89 113.25 o 7 9 0 8797.36 8627.27 236.22 o 9 9 0 1698.17 1987.47 128.37 o 11 9 0 203.34 207.73 56.56 o 13 9 0 3460.02 3319.63 140.42 o 15 9 0 724.14 735.30 105.19 o 17 9 0 87.06 63.81 71.18 o 19 9 0 271.62 196.29 81.79 o 0 10 0 6348.40 6737.93 245.98 o 2 10 0 587.72 748.25 70.53 o 4 10 0 8041.23 7740.37 248.46 o 6 10 0 12710.07 11491.21 327.68 o 8 10 0 4630.25 5266.87 191.36 o 10 10 0 5805.90 5233.49 189.45 o 12 10 0 423.39 342.40 75.84 o 14 10 0 1659.11 1961.56 128.79 o 16 10 0 36.35 156.00 86.37 o 18 10 0 609.36 595.52 110.95 o 1 11 0 5585.47 5670.67 166.85 o 3 11 0 3.79 68.90 56.61 o 5 11 0 9671.64 9530.20 297.43 o 7 11 0 590.78 694.87 99.82 o 9 11 0 7080.66 6529.84 256.75 o 11 11 0 1038.07 1184.04 113.16 o 13 11 0 3143.94 2789.91 174.96 o 15 11 0 1187.63 1378.36 150.29 o 17 11 0 862.31 908.53 129.32 o 0 12 0 4629.90 4408.53 422.09 o 2 12 0 117.49 188.43 71.60 o 4 12 0 8212.82 8232.32 275.88 o 6 12 0 3491.96 3981.12 191.02 o 8 12 0 3024.54 3026.56 167.92 o 10 12 0 1634.55 1479.11 145.93 o 12 12 0 523.37 493.05 102.31 o 14 12 0 2777.38 2969.23 187.70 o 1 13 0 4029.93 3176.84 265.84 o 3 13 0 871.17 797.15 101.85 o 5 13 0 7940.31 8303.74 386.21 o 7 13 0 240.18 260.25 76.67 o 9 13 0 2379.42 2434.12 159.73 o 11 13 0 29.41 79.61 73.83 o 0 14 0 5354.81 5622.02 512.53 o 2 14 0 1168.70 1331.66 237.42 o 4 14 0 4890.32 4947.82 327.74 o 6 14 0 2023.99 2486.48 166.71 o 8 14 0 3183.42 3493.55 247.83 o -25 1 1 236.62 410.15 92.04 o -23 1 1 9.58 105.57 55.87 o -21 1 1 62.60 168.07 48.22 o -19 1 1 296.12 388.39 56.60 o -17 1 1 777.35 816.89 65.72 o -15 1 1 3412.12 3256.22 99.33 o -13 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