#------------------------------------------------------------------------------ #$Date: 2019-03-21 05:38:43 +0200 (Thu, 21 Mar 2019) $ #$Revision: 214249 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021549.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_2021549 _cell_angle_alpha 90.000 _cell_angle_beta 96.362 _cell_angle_gamma 90.000 _cell_length_a 24.6886 _cell_length_b 10.2783 _cell_length_c 20.0241 _exptl_crystal_F_000 2696.00 _reflns_d_resolution_high 0.8393 _cod_data_source_file qp3023nw2189_0msup11.hkl _cod_data_source_block nw2189_0m _shelx_title ' nw2189_0m in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 589.88 _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 4 0 0 133223.88 116758.35 1901.06 o 6 0 0 155841.80 136424.81 2206.73 o 8 0 0 18734.79 18096.63 347.63 o 10 0 0 140384.33 126814.49 2870.37 o 12 0 0 46676.29 50694.00 896.33 o 14 0 0 82645.77 84244.10 1533.89 o 16 0 0 119497.66 115905.39 2314.16 o 18 0 0 1750.49 2506.87 269.49 o 20 0 0 84708.41 81608.10 2231.12 o 22 0 0 37275.13 39044.54 1269.10 o 24 0 0 24177.22 22408.31 893.07 o 26 0 0 59247.40 56906.02 1773.61 o 28 0 0 2839.47 2933.04 385.43 o 1 1 0 178558.31 135562.27 3030.18 o 3 1 0 198969.33 188157.66 3268.33 o 5 1 0 49170.94 53863.71 633.92 o 7 1 0 19722.88 21870.44 284.44 o 9 1 0 44316.80 44996.37 554.39 o 11 1 0 18875.14 21711.68 300.30 o 13 1 0 54982.82 52741.43 662.51 o 15 1 0 8168.47 8281.93 158.27 o 17 1 0 40498.04 41358.40 666.40 o 19 1 0 28479.75 30017.98 707.88 o 21 1 0 8.80 118.07 99.42 o 23 1 0 43992.25 42666.20 972.70 o 25 1 0 629.31 616.00 150.62 o 27 1 0 8652.43 8735.75 394.24 o 29 1 0 16270.37 15861.12 568.32 o 0 2 0 12033.83 10598.10 325.89 o 2 2 0 9548.61 10170.85 174.84 o 4 2 0 108387.56 110355.20 2675.32 o 6 2 0 487.17 1217.59 54.28 o 8 2 0 10134.53 10339.16 182.73 o 10 2 0 3721.85 5143.09 106.53 o 12 2 0 4046.61 4746.89 107.60 o 14 2 0 36.86 49.61 32.61 o 16 2 0 507.45 698.09 76.58 o 18 2 0 1160.68 1210.66 100.68 o 20 2 0 262.97 584.52 169.21 o 22 2 0 944.39 947.94 154.68 o 24 2 0 483.51 551.99 143.97 o 26 2 0 4134.03 3759.15 291.22 o 28 2 0 189.30 264.83 140.06 o 1 3 0 29459.61 29214.63 337.69 o 3 3 0 9236.48 8875.32 174.17 o 5 3 0 21641.00 21370.83 294.72 o 7 3 0 114500.43 117440.48 3758.64 o 9 3 0 63229.83 64009.39 903.26 o 11 3 0 3562.44 4042.34 153.23 o 13 3 0 73005.30 71173.68 784.91 o 15 3 0 17737.93 18974.41 310.82 o 17 3 0 27470.33 27157.76 418.23 o 19 3 0 43593.35 44069.83 738.38 o 21 3 0 821.63 839.52 178.61 o 23 3 0 22013.76 22426.07 670.59 o 25 3 0 9345.71 8884.34 384.32 o 27 3 0 12778.97 13187.93 827.27 o 0 4 0 204446.06 182876.81 4808.50 o 2 4 0 46943.30 47512.75 536.43 o 4 4 0 95993.64 92682.06 1276.81 o 6 4 0 108834.86 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101.73 o 14 6 0 14938.08 14363.17 331.77 o 16 6 0 2265.17 2445.71 130.82 o 18 6 0 93.07 120.33 58.03 o 20 6 0 5763.49 6263.10 284.97 o 22 6 0 49.59 203.93 90.83 o 24 6 0 2015.91 2005.50 325.89 o 1 7 0 40457.72 42704.33 610.25 o 3 7 0 84741.17 84033.57 1524.45 o 5 7 0 3692.10 4173.59 136.57 o 7 7 0 21638.08 21472.72 350.04 o 9 7 0 13599.24 13629.38 267.46 o 11 7 0 461.83 579.63 74.11 o 13 7 0 47044.95 46989.93 968.29 o 15 7 0 1038.15 1139.50 222.48 o 17 7 0 28255.15 29138.51 701.14 o 19 7 0 32029.17 31217.72 1558.96 o 21 7 0 845.05 832.20 151.19 o 23 7 0 18443.37 20086.32 902.47 o 0 8 0 80700.62 82551.85 1516.70 o 2 8 0 17394.55 18021.75 394.95 o 4 8 0 25651.33 25170.57 583.86 o 6 8 0 24492.45 25107.52 414.89 o 8 8 0 1767.49 1543.82 182.93 o 10 8 0 50355.11 51828.93 727.10 o 12 8 0 2536.78 3091.90 177.48 o 14 8 0 5268.92 5656.42 303.63 o 16 8 0 44158.13 41564.89 916.06 o 18 8 0 3711.39 3497.58 249.27 o 20 8 0 15439.36 15266.87 491.53 o 22 8 0 15170.70 15253.99 505.26 o 1 9 0 2410.29 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