#------------------------------------------------------------------------------ #$Date: 2021-01-05 08:10:12 +0200 (Tue, 05 Jan 2021) $ #$Revision: 260506 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108735.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_2108735 _cell_angle_alpha 90.000 _cell_angle_beta 124.144 _cell_angle_gamma 90.000 _cell_length_a 15.4671 _cell_length_b 8.9627 _cell_length_c 9.1186 _exptl_crystal_F_000 1296.00 _reflns_d_resolution_high 0.7087 _cod_data_source_file rm5035100Ksup2.hkl _cod_data_source_block 100K _shelx_title ' Ag_NSP_F6_2_100K_0m in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 508.03 _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 0 195.71 418.56 37.30 o 4 0 0 3524.47 3288.92 122.14 o 6 0 0 10752.85 9681.60 226.85 o 8 0 0 3608.15 3626.48 185.37 o 10 0 0 52857.26 52266.09 1088.35 o 12 0 0 186.04 281.62 82.83 o 14 0 0 15078.40 14283.09 540.78 o 16 0 0 7272.54 7581.65 536.35 o 1 1 0 5096.24 5196.29 113.02 o 3 1 0 11628.98 11324.67 296.69 o 5 1 0 10592.02 10841.49 224.45 o 7 1 0 94405.28 94389.85 1338.73 o 9 1 0 757.78 876.48 54.83 o 11 1 0 4549.61 4475.63 277.22 o 13 1 0 9908.78 9836.59 334.59 o 15 1 0 804.75 622.92 87.71 o 17 1 0 1281.00 1173.01 168.40 o 0 2 0 8737.97 8422.27 207.33 o 2 2 0 12687.43 13778.40 417.90 o 4 2 0 9438.23 9153.94 219.86 o 6 2 0 40157.51 38423.48 598.40 o 8 2 0 871.26 1130.73 47.93 o 10 2 0 3604.55 3976.87 124.05 o 12 2 0 2130.35 2387.58 102.73 o 14 2 0 12691.47 11781.40 407.49 o 16 2 0 2306.20 2731.48 166.34 o 1 3 0 7630.33 11970.71 430.26 o 3 3 0 49049.86 52561.18 1020.28 o 5 3 0 16483.71 16662.48 271.66 o 7 3 0 47814.54 46027.15 861.97 o 9 3 0 12.68 49.48 16.55 o 11 3 0 4182.34 4436.15 140.65 o 13 3 0 11806.87 11603.09 356.06 o 15 3 0 1776.57 1844.19 143.92 o 0 4 0 116524.17 114982.01 2632.74 o 2 4 0 11477.66 13352.53 193.29 o 4 4 0 17657.33 17093.61 302.03 o 6 4 0 43437.53 41658.81 878.17 o 8 4 0 2543.42 2667.47 94.35 o 10 4 0 4546.94 5007.91 151.02 o 12 4 0 5360.59 5299.59 164.99 o 14 4 0 22400.07 21697.47 478.31 o 16 4 0 9666.04 9176.95 429.61 o 1 5 0 17328.77 16116.32 289.40 o 3 5 0 11262.61 10468.29 182.80 o 5 5 0 1525.77 1545.22 59.43 o 7 5 0 46460.23 43750.78 933.41 o 9 5 0 9749.61 9784.94 241.11 o 11 5 0 698.92 799.73 67.65 o 13 5 0 10823.68 10669.19 312.36 o 15 5 0 2651.98 2741.07 161.08 o 2 6 0 35350.20 36188.34 906.99 o 4 6 0 3879.90 3951.96 120.16 o 6 6 0 2819.13 2508.69 103.95 o 8 6 0 23185.88 22351.62 525.74 o 10 6 0 2020.11 1940.14 102.15 o 12 6 0 10182.88 10597.36 314.50 o 14 6 0 15.48 57.38 29.33 o 1 7 0 2758.18 3922.74 88.90 o 3 7 0 5914.94 6056.90 138.81 o 5 7 0 29608.15 29752.30 587.95 o 7 7 0 13045.17 13224.71 303.91 o 9 7 0 1856.17 2081.04 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2168.29 106.35 o -13 5 1 231.51 270.22 41.50 o -11 5 1 19293.76 20126.07 447.66 o -9 5 1 57410.16 58629.99 1101.48 o -7 5 1 1494.90 1877.46 90.47 o -3 5 1 6821.33 8722.82 390.27 o -1 5 1 25850.48 24141.81 361.41 o 1 5 1 111723.13 110324.71 1465.81 o 3 5 1 7445.77 7645.49 225.73 o 5 5 1 5654.05 5690.48 148.86 o 7 5 1 11408.64 11214.48 368.23 o 9 5 1 8253.51 8709.09 293.95 o 11 5 1 15298.17 14503.49 388.64 o 13 5 1 1546.56 1508.98 110.35 o 15 5 1 498.95 552.96 140.83 o -16 6 1 50.46 68.65 46.58 o -14 6 1 7493.22 7473.64 251.52 o -12 6 1 46.75 64.31 25.42 o -10 6 1 22377.54 23346.30 568.60 o -8 6 1 11121.18 12769.64 607.86 o -6 6 1 5095.98 5673.53 198.42 o -4 6 1 93442.51 95331.66 1352.11 o -2 6 1 3558.15 3621.70 77.81 o 0 6 1 735.96 1361.57 52.10 o 2 6 1 28750.23 27654.36 419.14 o 4 6 1 10156.41 9894.03 401.51 o 6 6 1 32057.45 31707.61 708.08 o 8 6 1 2317.77 2201.23 106.55 o 10 6 1 14299.86 14347.24 388.42 o 12 6 1 9964.89 9951.04 307.30 o 14 6 1 10712.38 10088.57 429.91 o -15 7 1 34.20 86.29 46.32 o -13 7 1 1348.54 1627.29 117.80 o -11 7 1 2607.64 2863.90 116.80 o -9 7 1 8422.07 8375.40 339.02 o -7 7 1 2088.84 2466.66 115.21 o -5 7 1 1578.70 1673.63 140.83 o -1 7 1 1554.75 1534.39 58.48 o 1 7 1 6371.58 6069.95 105.35 o 3 7 1 37221.81 39549.66 753.57 o 5 7 1 3080.15 3172.57 143.78 o 7 7 1 8997.56 8701.69 258.92 o 9 7 1 2403.44 2509.00 123.79 o 11 7 1 10449.25 10890.74 328.27 o 13 7 1 2167.89 2152.93 184.60 o -14 8 1 137.97 86.81 58.61 o -12 8 1 21360.81 20455.88 531.11 o -10 8 1 9187.69 9238.88 283.81 o -8 8 1 1641.54 1690.02 84.85 o -6 8 1 15688.59 15390.37 341.55 o -4 8 1 560.41 538.35 58.24 o -2 8 1 42210.72 39591.85 701.34 o 0 8 1 5853.33 5401.50 110.16 o 2 8 1 5933.31 6357.10 158.67 o 4 8 1 37985.48 36848.13 810.78 o 6 8 1 27.39 84.81 28.09 o 8 8 1 17201.81 16614.70 434.96 o 10 8 1 2737.56 2825.03 142.26 o 12 8 1 1810.86 1906.65 325.37 o -11 9 1 2159.79 3101.81 255.52 o -9 9 1 8278.36 8785.54 273.89 o -7 9 1 5855.76 6834.92 238.20 o -5 9 1 6381.37 6750.44 157.60 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