#------------------------------------------------------------------------------ #$Date: 2018-12-07 05:37:15 +0200 (Fri, 07 Dec 2018) $ #$Revision: 212436 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108346.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_2108346 _cell_angle_alpha 90.000 _cell_angle_beta 99.270 _cell_angle_gamma 90.000 _cell_length_a 19.1455 _cell_length_b 6.2686 _cell_length_c 17.2963 _exptl_crystal_F_000 2671.20 _reflns_d_resolution_high 0.7570 _cod_data_source_file ps5074CuPbOXO2sup8.hkl _cod_data_source_block CuPbOXO2 _shelx_title ' mo_r1233112_0m in C2/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1410.35 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-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 4815.43 3610.98 172.45 o 4 0 0 15549.77 14089.50 498.23 o 6 0 0 45493.72 41326.44 1434.96 o 8 0 0 90271.47 85063.11 2154.12 o 10 0 0 29094.77 28875.98 1116.61 o 12 0 0 107463.25 107060.81 2273.93 o 14 0 0 14504.38 15369.63 1348.57 o 16 0 0 23819.09 29781.66 2463.01 o 18 0 0 37228.21 34600.48 4178.97 o 20 0 0 5377.96 4668.05 2382.98 o 22 0 0 46997.78 51316.84 5397.53 o 24 0 0 3498.09 1489.87 2516.67 o 1 1 0 9232.73 12628.36 454.88 o 3 1 0 29159.01 28862.94 367.12 o 5 1 0 40233.17 45225.34 646.37 o 7 1 0 258148.62 245688.75 2204.55 o 9 1 0 120311.97 118273.66 1893.14 o 11 1 0 233355.31 224544.25 2513.46 o 13 1 0 17658.49 17158.23 1073.33 o 15 1 0 98463.09 98901.65 2268.13 o 17 1 0 2306.47 1838.97 723.57 o 19 1 0 70643.95 70813.39 4008.84 o 21 1 0 32181.26 36803.76 2913.10 o 23 1 0 9147.05 10037.32 1981.42 o 0 2 0 1648248.00 1732796.62 19321.18 o 2 2 0 25947.30 28804.43 504.33 o 4 2 0 53340.61 51093.65 819.14 o 6 2 0 111312.47 102410.62 1110.47 o 8 2 0 42158.47 43915.11 772.89 o 10 2 0 24824.01 26922.76 1115.61 o 12 2 0 130773.41 129648.19 3111.19 o 14 2 0 13282.95 13217.14 887.24 o 16 2 0 3046.41 1856.84 642.59 o 18 2 0 10988.43 9794.87 1877.13 o 20 2 0 10000.36 8081.93 2556.06 o 22 2 0 178645.75 184383.70 17498.37 o 24 2 0 2416.77 856.00 1800.81 o 1 3 0 6186.64 7146.27 430.97 o 3 3 0 83554.53 87668.31 1170.15 o 5 3 0 32119.97 33396.52 724.33 o 7 3 0 193639.56 191913.55 2250.85 o 9 3 0 102450.19 99710.95 1782.30 o 11 3 0 178616.44 181812.70 2531.80 o 13 3 0 14967.88 15608.43 768.62 o 15 3 0 91311.97 92892.70 2221.33 o 17 3 0 1168.34 2351.99 680.57 o 19 3 0 46606.59 40959.83 5377.45 o 21 3 0 32790.36 27074.11 9922.32 o 23 3 0 5034.18 4263.87 1377.13 o 0 4 0 1989080.50 2013393.00 23474.25 o 2 4 0 1443.19 1698.38 219.30 o 4 4 0 10464.24 11209.76 486.71 o 6 4 0 7001.47 6638.07 539.46 o 8 4 0 75436.73 74044.52 2060.64 o 10 4 0 13926.59 13376.12 1026.56 o 12 4 0 40445.62 42025.90 1457.14 o 14 4 0 4526.68 5167.58 785.18 o 16 4 0 14294.88 14145.84 1324.43 o 18 4 0 24771.70 27219.79 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