#------------------------------------------------------------------------------ #$Date: 2019-03-21 05:38:43 +0200 (Thu, 21 Mar 2019) $ #$Revision: 214249 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021548.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_2021548 _cell_angle_alpha 90.000 _cell_angle_beta 96.467 _cell_angle_gamma 90.000 _cell_length_a 24.8569 _cell_length_b 10.2084 _cell_length_c 20.1195 _exptl_crystal_F_000 2680.00 _reflns_d_resolution_high 0.8393 _cod_data_source_file qp3023nw2195_0msup10.hkl _cod_data_source_block nw2195_0m _shelx_title ' nw2195_0m in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 786.11 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_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 50252.31 47359.82 762.74 o 4 0 0 124662.17 128564.22 1519.06 o 6 0 0 152762.16 143040.69 4632.98 o 8 0 0 16681.77 17736.20 270.78 o 10 0 0 132065.78 127242.34 1325.08 o 12 0 0 45233.09 45784.77 591.61 o 14 0 0 72423.42 73373.36 884.79 o 16 0 0 101378.01 102284.32 1185.98 o 18 0 0 1590.72 2030.21 253.28 o 20 0 0 69173.12 69388.09 1231.63 o 22 0 0 31715.18 33153.04 1251.83 o 24 0 0 13160.10 11976.78 768.56 o 26 0 0 51206.90 50492.30 1711.80 o 28 0 0 2348.39 2969.45 494.91 o 1 1 0 172253.41 164610.69 1997.70 o 3 1 0 192076.28 200095.25 2343.24 o 5 1 0 47312.91 50189.63 476.71 o 7 1 0 16650.19 15975.03 193.72 o 9 1 0 38240.65 38534.96 602.57 o 11 1 0 18719.62 20334.74 337.79 o 13 1 0 45826.11 45130.14 464.28 o 15 1 0 7905.01 7724.07 167.34 o 17 1 0 38336.30 39680.93 538.05 o 19 1 0 27324.70 26587.88 463.55 o 21 1 0 5.06 20.97 109.61 o 23 1 0 35565.95 35439.14 1216.89 o 25 1 0 476.03 484.28 215.43 o 27 1 0 7148.56 8035.36 539.15 o 29 1 0 12431.84 12835.09 615.41 o 0 2 0 8437.02 8322.64 669.58 o 2 2 0 10406.60 11464.27 166.79 o 4 2 0 112106.27 116829.60 1028.24 o 6 2 0 41.79 179.26 45.95 o 8 2 0 8927.48 9415.65 158.96 o 10 2 0 1738.32 2300.47 93.73 o 12 2 0 5652.37 6440.48 147.45 o 14 2 0 89.20 81.73 48.49 o 16 2 0 201.33 280.92 63.39 o 18 2 0 1077.22 971.04 115.33 o 20 2 0 31.59 0.33 108.45 o 22 2 0 528.11 278.07 247.36 o 24 2 0 921.51 595.08 339.26 o 26 2 0 4666.77 5092.31 429.04 o 28 2 0 61.77 269.18 185.67 o 1 3 0 26683.72 26250.74 352.13 o 3 3 0 6058.20 5403.12 292.46 o 5 3 0 26457.16 27615.94 391.63 o 7 3 0 112659.80 115096.05 1020.89 o 9 3 0 57429.30 58527.89 636.96 o 11 3 0 1875.33 1971.41 99.06 o 13 3 0 67053.46 67528.13 673.13 o 15 3 0 18157.83 19161.28 301.85 o 17 3 0 21813.00 21925.97 409.61 o 19 3 0 36574.41 36918.25 704.33 o 21 3 0 1023.80 942.67 163.70 o 23 3 0 16497.61 17378.21 507.30 o 25 3 0 7654.92 7618.13 487.75 o 27 3 0 11220.85 12506.63 879.19 o 0 4 0 192105.70 193345.30 2354.88 o 2 4 0 43395.70 44368.73 507.60 o 4 4 0 90072.55 88419.75 878.92 o 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1575.75 140.25 o 14 6 0 15022.62 14844.58 349.21 o 16 6 0 1930.50 2260.63 220.36 o 18 6 0 51.91 62.45 110.66 o 20 6 0 5268.96 5618.82 646.29 o 22 6 0 8.92 -85.56 184.60 o 24 6 0 1037.85 1111.67 286.12 o 1 7 0 32983.57 32965.67 716.06 o 3 7 0 72292.68 72279.73 1004.53 o 5 7 0 2582.08 2566.84 239.51 o 7 7 0 19513.61 18740.35 479.64 o 9 7 0 15280.51 15226.74 443.03 o 11 7 0 183.54 146.78 87.53 o 13 7 0 44320.68 45938.29 689.06 o 15 7 0 286.55 424.54 113.76 o 17 7 0 28346.66 30518.78 697.46 o 19 7 0 29154.83 27173.74 1097.98 o 21 7 0 293.06 333.90 234.57 o 23 7 0 12656.15 13736.47 677.18 o 0 8 0 70644.53 70009.16 1735.09 o 2 8 0 14084.41 14240.70 471.39 o 4 8 0 23822.67 24106.31 627.36 o 6 8 0 21738.67 21232.15 497.29 o 8 8 0 2442.63 2124.78 167.67 o 10 8 0 48504.37 50031.84 823.59 o 12 8 0 1155.05 1407.53 155.31 o 14 8 0 4768.07 4929.95 430.64 o 16 8 0 38883.43 38002.71 1106.23 o 18 8 0 4255.09 3925.75 433.33 o 20 8 0 14554.02 15773.51 693.72 o 22 8 0 16326.52 15822.68 736.82 o 1 9 0 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