#------------------------------------------------------------------------------ #$Date: 2020-11-06 07:09:09 +0200 (Fri, 06 Nov 2020) $ #$Revision: 258774 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022271.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_2022271 _cell_angle_alpha 90.844 _cell_angle_beta 93.106 _cell_angle_gamma 98.296 _cell_length_a 6.9363 _cell_length_b 15.9791 _cell_length_c 16.9786 _exptl_crystal_F_000 1040.00 _reflns_d_resolution_high 0.7800 _cod_data_source_file yo3076Isup2.hkl _cod_data_source_block I _shelx_title ' xv585_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 270.39 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 1 0 0 4082.75 3115.36 139.28 o 2 0 0 11450.74 11172.41 218.31 o 3 0 0 45.50 79.41 7.34 o 4 0 0 210.34 241.50 11.97 o 5 0 0 15.27 41.31 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443.49 429.85 15.17 o 0 11 0 0.10 23.00 5.69 o 1 11 0 874.89 851.57 25.02 o 2 11 0 1071.80 1042.41 27.12 o 3 11 0 617.27 582.56 26.38 o 4 11 0 1264.08 1253.09 38.69 o 5 11 0 1114.07 1058.19 36.20 o 6 11 0 90.86 90.75 18.89 o -7 12 0 164.80 185.13 16.83 o -6 12 0 661.24 712.57 46.43 o -5 12 0 2720.69 2697.72 71.89 o -4 12 0 1008.44 1097.51 41.45 o -3 12 0 101.17 98.54 8.95 o -2 12 0 4.24 -0.26 5.93 o -1 12 0 4814.36 4651.13 99.37 o 0 12 0 1252.82 1254.48 30.59 o 1 12 0 143.95 170.85 11.30 o 2 12 0 5491.60 5376.05 115.15 o 3 12 0 1476.21 1445.82 53.31 o 4 12 0 285.77 276.20 21.89 o 5 12 0 0.02 -1.21 17.06 o 6 12 0 35.00 -28.01 28.01 o -7 13 0 320.07 374.15 22.26 o -6 13 0 467.21 499.98 28.73 o -5 13 0 62.00 72.03 10.74 o -4 13 0 195.82 205.83 17.65 o -3 13 0 1234.62 1264.96 63.45 o -2 13 0 6.99 6.82 5.92 o -1 13 0 1858.98 1719.79 39.89 o 0 13 0 954.01 933.02 25.69 o 1 13 0 4142.68 3989.97 87.85 o 2 13 0 577.32 602.28 24.27 o 3 13 0 349.45 296.06 17.72 o 4 13 0 12.08 17.02 11.80 o 5 13 0 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110.41 o 2 -13 1 2095.23 1975.92 44.70 o 3 -13 1 176.12 174.33 16.60 o 4 -13 1 251.56 254.52 19.13 o 5 -13 1 35.65 46.52 14.73 o 6 -13 1 396.48 458.48 27.53 o 7 -13 1 349.33 384.02 23.11 o -6 -12 1 813.55 802.83 50.08 o -5 -12 1 296.46 281.86 18.53 o -4 -12 1 245.07 240.71 16.60 o -3 -12 1 134.07 98.20 13.50 o -2 -12 1 872.12 861.72 29.68 o -1 -12 1 57.90 57.28 7.76 o 0 -12 1 5816.71 5895.40 112.88 o 1 -12 1 270.20 280.85 12.86 o 2 -12 1 440.56 442.34 17.73 o 3 -12 1 383.87 425.16 16.18 o 4 -12 1 664.41 704.30 24.04 o 5 -12 1 504.72 490.08 23.20 o 6 -12 1 19.87 40.80 10.02 o 7 -12 1 0.42 13.67 11.05 o -6 -11 1 1.26 16.47 9.38 o -5 -11 1 60.07 54.34 13.11 o -4 -11 1 11.53 10.67 7.95 o -3 -11 1 1842.75 1719.13 50.37 o -2 -11 1 2104.29 2160.16 47.20 o -1 -11 1 665.67 646.13 25.56 o 0 -11 1 186.78 199.98 11.40 o 1 -11 1 925.51 949.68 24.52 o 2 -11 1 1578.93 1554.73 35.73 o 3 -11 1 1995.71 1972.90 49.87 o 4 -11 1 104.83 111.54 10.57 o 5 -11 1 5255.51 5368.49 223.37 o 6 -11 1 286.45 295.89 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