#------------------------------------------------------------------------------ #$Date: 2020-07-01 08:45:50 +0300 (Wed, 01 Jul 2020) $ #$Revision: 253607 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/84/1558456.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_1558456 _cell_angle_alpha 90.000 _cell_angle_beta 90.041 _cell_angle_gamma 90.000 _cell_length_a 16.0100 _cell_length_b 12.5361 _cell_length_c 16.3086 _exptl_crystal_F_000 1588.00 _reflns_d_resolution_high 0.8211 _cod_data_source_file hb4351Isup2.hkl _cod_data_source_block I _shelx_title ' wa2617 in P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 500.93 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 3 0 0 47.25 2033.04 483.74 o 4 0 0 4085.78 3520.68 434.14 o 5 0 0 15933.61 13806.49 741.09 o 6 0 0 1545.39 1004.80 319.01 o 7 0 0 294.20 180.66 302.17 o 8 0 0 47289.93 40565.97 942.00 o 9 0 0 41304.61 38201.41 1011.86 o 10 0 0 28658.71 24752.83 694.22 o 11 0 0 850.48 1422.56 335.62 o 12 0 0 1085.66 1763.41 282.33 o 13 0 0 24079.20 30807.34 866.12 o 14 0 0 2238.30 2920.18 347.22 o 15 0 0 8473.73 8826.77 427.89 o 16 0 0 565.57 702.67 351.47 o 17 0 0 3044.99 3520.68 598.42 o 18 0 0 28.56 -27.76 561.79 o 19 0 0 1698.74 2101.99 647.80 o 4 1 0 10252.79 9013.84 464.92 o 5 1 0 10568.86 11473.59 1185.92 o 6 1 0 8848.71 5790.40 382.86 o 7 1 0 11135.64 7928.38 383.71 o 8 1 0 6431.41 5535.08 372.03 o 9 1 0 28157.91 23925.73 458.28 o 10 1 0 14956.72 15989.16 433.15 o 11 1 0 539.93 396.99 215.97 o 12 1 0 10612.42 11959.73 446.39 o 13 1 0 262.90 914.21 251.98 o 14 1 0 11797.54 13825.74 371.94 o 15 1 0 588.83 646.83 232.94 o 16 1 0 0.14 26.65 228.69 o 17 1 0 0.57 17.28 259.46 o 18 1 0 2993.74 3310.83 348.76 o 19 1 0 232.60 305.76 426.88 o 2 2 0 4316.05 5143.93 651.44 o 3 2 0 39.44 241.42 395.23 o 5 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342.90 o 14 5 0 9505.94 12403.95 484.43 o 15 5 0 192.26 292.16 362.01 o 16 5 0 10.51 60.07 327.20 o 17 5 0 398.99 332.61 244.73 o 18 5 0 1717.06 1577.48 319.40 o 0 6 0 1912.89 2297.67 277.82 o 1 6 0 1651.30 5314.45 251.10 o 2 6 0 10136.40 9914.01 286.45 o 3 6 0 4938.83 10494.53 757.36 o 4 6 0 65542.50 60473.40 3380.06 o 5 6 0 3929.34 3452.90 361.44 o 6 6 0 23574.17 23487.98 427.86 o 7 6 0 117.63 -33.53 196.59 o 8 6 0 91.85 813.22 317.64 o 9 6 0 7039.54 6525.76 326.06 o 10 6 0 1568.71 2079.46 272.82 o 11 6 0 16.29 174.75 260.98 o 12 6 0 13575.90 13985.56 487.38 o 13 6 0 6210.26 6880.26 451.66 o 14 6 0 2538.52 3004.63 334.71 o 15 6 0 396.22 547.91 320.60 o 16 6 0 72.05 396.60 322.87 o 17 6 0 2169.11 2341.63 303.20 o 1 7 0 931.27 3154.24 273.73 o 2 7 0 12314.36 20414.48 1646.46 o 3 7 0 31073.12 27600.60 539.83 o 4 7 0 1127.65 1625.49 254.05 o 5 7 0 14157.16 13326.23 672.60 o 6 7 0 5672.65 4687.12 224.79 o 7 7 0 3.10 135.92 176.42 o 8 7 0 228.85 291.62 194.84 o 9 7 0 117.96 298.53 311.73 o 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