#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:57:48 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180931 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/11/2201131.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_2201131_Fobs loop_ _publ_author_name 'Bremner, Colin A.' 'Harrison, William T. A.' _publ_section_title ; Guanylurea vanadium arsenate ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m254 _journal_page_last m256 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.144 _cell_angle_beta 82.652 _cell_angle_gamma 69.848 _cell_length_a 8.5376 _cell_length_b 11.0544 _cell_length_c 12.4672 _exptl_crystal_F_000 756.00 _reflns_d_resolution_high 0.7095 _cod_data_source_file mg6008Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' cb15a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 271.35 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_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 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61.27 56.56 30.45 o -7 7 0 37.69 8.44 24.31 o -6 7 0 8.88 12.80 22.26 o -5 7 0 203.13 191.94 29.43 o -4 7 0 29.83 10.24 18.68 o -3 7 0 469.68 402.64 30.20 o -2 7 0 6229.93 6294.51 60.37 o -1 7 0 15009.28 14657.64 97.95 o 0 7 0 59.95 63.37 11.25 o 1 7 0 21707.57 21992.28 129.24 o 2 7 0 4000.09 4166.78 47.58 o 3 7 0 8106.74 8045.24 152.64 o 4 7 0 6989.06 7038.46 71.61 o 5 7 0 125.98 118.51 13.39 o 6 7 0 419.37 402.24 22.52 o 7 7 0 1097.31 1095.33 37.26 o 8 7 0 2942.97 2971.13 73.17 o 9 7 0 1125.57 1124.39 34.72 o 10 7 0 244.08 258.09 21.44 o 11 7 0 5.85 4.86 23.29 o -7 8 0 2.16 -7.68 26.87 o -6 8 0 621.03 649.13 46.07 o -5 8 0 1935.75 1972.38 69.41 o -4 8 0 536.13 491.46 36.86 o -3 8 0 13.05 20.47 19.19 o -2 8 0 32.94 54.00 21.50 o -1 8 0 214.53 200.25 14.10 o 0 8 0 287.13 303.08 16.53 o 1 8 0 15975.31 15839.87 107.39 o 2 8 0 4973.90 4965.23 55.59 o 3 8 0 6908.34 6928.94 68.21 o 4 8 0 7685.85 7526.53 168.29 o 5 8 0 1382.38 1399.02 49.17 o 6 8 0 60.27 62.12 13.62 o 7 8 0 118.07 123.62 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