#------------------------------------------------------------------------------ #$Date: 2022-02-22 04:59:25 +0200 (Tue, 22 Feb 2022) $ #$Revision: 273082 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/25/2022575.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_2022575 _cell_angle_alpha 93.969 _cell_angle_beta 97.973 _cell_angle_gamma 94.312 _cell_length_a 9.2442 _cell_length_b 10.4646 _cell_length_c 10.9985 _exptl_crystal_F_000 484.00 _reflns_d_resolution_high 0.7465 _cod_data_source_file zo3012Compound_2sup2.hkl _cod_data_source_block Compound_2 _shelx_title ' msb552_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 186.52 _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 0 266.95 281.57 10.06 o 2 0 0 41.36 66.68 7.45 o 3 0 0 1645.64 1871.60 70.40 o 4 0 0 292.19 295.72 17.13 o 5 0 0 1845.46 1875.33 61.83 o 6 0 0 1634.42 1757.99 60.72 o 7 0 0 6181.72 6102.36 178.80 o 8 0 0 663.82 684.20 33.15 o 9 0 0 92.29 143.04 19.00 o 10 0 0 84.33 96.10 17.51 o 11 0 0 2.82 12.66 7.08 o -10 1 0 942.22 885.35 52.52 o -9 1 0 0.14 2.98 5.59 o -8 1 0 1189.59 1202.30 48.80 o -7 1 0 5554.85 5863.59 172.84 o -6 1 0 151.56 150.49 14.90 o -5 1 0 1812.55 1847.02 61.09 o -4 1 0 5.28 10.80 5.96 o -3 1 0 293.52 340.42 16.39 o -2 1 0 5266.78 5931.02 161.29 o -1 1 0 2607.55 2712.99 74.50 o 0 1 0 6570.70 6347.80 169.11 o 1 1 0 2166.72 1995.64 55.50 o 2 1 0 1839.97 1752.78 51.40 o 3 1 0 186.59 192.54 11.92 o 4 1 0 13.93 13.41 5.59 o 5 1 0 2357.48 2405.72 75.62 o 6 1 0 982.90 992.96 39.48 o 7 1 0 654.46 640.62 30.92 o 8 1 0 17.84 17.88 6.70 o 9 1 0 5.96 5.96 10.06 o 10 1 0 21.06 23.84 12.66 o 11 1 0 2.01 2.61 6.70 o 12 1 0 622.20 615.66 56.62 o -10 2 0 960.22 1082.36 89.03 o -9 2 0 59.42 58.85 13.78 o -8 2 0 48.30 43.95 9.31 o -7 2 0 2672.91 2831.78 92.38 o -6 2 0 24.50 38.74 8.94 o -5 2 0 1640.91 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8 0 1107.20 1141.96 45.07 o 1 8 0 164.21 176.94 21.98 o 2 8 0 984.73 1009.72 55.13 o 3 8 0 374.83 329.25 29.80 o 4 8 0 2520.23 2134.92 96.85 o 5 8 0 111.93 112.87 18.62 o 6 8 0 0.60 24.21 10.06 o 7 8 0 449.73 419.39 34.64 o 8 8 0 29.21 35.01 17.13 o 9 8 0 229.95 236.87 24.96 o -9 9 0 180.34 224.95 37.62 o -8 9 0 260.00 236.87 39.11 o -7 9 0 181.25 199.25 26.45 o -6 9 0 72.22 68.54 17.88 o -5 9 0 230.31 244.69 26.07 o -4 9 0 890.90 987.00 56.25 o -3 9 0 1765.96 1791.52 83.44 o -2 9 0 105.77 104.30 16.02 o -1 9 0 346.31 384.75 23.47 o 0 9 0 99.58 113.61 18.25 o 1 9 0 277.00 316.58 29.05 o 2 9 0 627.92 556.47 40.23 o 3 9 0 1361.72 1249.61 67.05 o 4 9 0 894.65 909.19 55.50 o 5 9 0 11.98 13.78 8.19 o 6 9 0 1.92 0.00 7.45 o 7 9 0 7.74 3.35 6.70 o 8 9 0 18.02 11.55 7.08 o -8 10 0 499.45 700.22 73.75 o -7 10 0 6.76 2.61 9.68 o -6 10 0 226.30 235.01 26.07 o -5 10 0 76.77 92.38 16.76 o -4 10 0 20.66 13.41 7.45 o -3 10 0 566.50 527.42 37.99 o -2 10 0 6.61 1.86 4.10 o -1 10 0 1837.48 1925.61 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