#------------------------------------------------------------------------------ #$Date: 2020-06-06 08:19:47 +0300 (Sat, 06 Jun 2020) $ #$Revision: 252977 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/21/2022160.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_2022160 _cell_angle_alpha 90.000 _cell_angle_beta 97.567 _cell_angle_gamma 90.000 _cell_length_a 9.4554 _cell_length_b 9.9010 _cell_length_c 10.3668 _exptl_crystal_F_000 572.00 _reflns_d_resolution_high 0.7466 _cod_data_source_file dg3007mo_18ca_kb36_0msup2.hkl _cod_data_source_block mo_18ca_kb36_0m _shelx_title ' mo_18ca_kb36_0m_a.res in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 204.99 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -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 0 -12 0 198.52 142.16 39.54 o 1 -12 0 7.33 4.68 18.66 o 2 -12 0 73.39 74.19 30.65 o 3 -12 0 83.71 109.66 27.53 o 4 -12 0 33.12 53.13 23.47 o 1 -11 0 699.44 727.95 55.79 o 2 -11 0 518.09 533.15 51.98 o 3 -11 0 1788.87 1937.66 135.03 o 4 -11 0 767.79 754.42 56.65 o 5 -11 0 909.77 931.83 50.42 o 6 -11 0 693.16 651.68 58.64 o 0 -10 0 3600.87 3706.05 240.30 o 1 -10 0 43.57 29.51 12.46 o 2 -10 0 3047.09 3045.45 150.16 o 3 -10 0 9.63 12.72 14.52 o 4 -10 0 1300.88 1338.93 77.74 o 5 -10 0 7.41 12.74 10.69 o 6 -10 0 779.35 777.73 41.42 o 7 -10 0 17.47 38.40 16.06 o 8 -10 0 382.34 350.92 65.31 o 1 -9 0 1887.26 2083.93 81.85 o 2 -9 0 233.10 270.66 35.98 o 3 -9 0 2005.01 2009.11 108.38 o 4 -9 0 551.57 540.58 43.31 o 5 -9 0 906.66 885.57 40.53 o 6 -9 0 853.47 863.87 39.29 o 7 -9 0 161.86 125.38 27.41 o 8 -9 0 449.58 442.62 39.17 o 9 -9 0 297.89 328.69 42.76 o 0 -8 0 8704.81 9252.28 387.59 o 1 -8 0 75.23 81.11 12.42 o 2 -8 0 7900.86 8612.93 348.93 o 3 -8 0 436.88 431.35 31.43 o 4 -8 0 2945.79 3228.00 193.89 o 5 -8 0 991.51 992.17 40.95 o 6 -8 0 2594.68 2647.68 90.53 o 7 -8 0 805.24 852.59 46.06 o 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120.84 o