#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/50/2215018.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_2215018_Fobs loop_ _publ_author_name 'Li, Chuan-Bi' 'Zong, Zhan-Guo' 'Gong, Jie' 'Ng, Seik Weng' _publ_section_title ; Tetraimidazolium bis(imidazole-\kN)di-\m~4~-oxido-tetra-\m~3~-oxido-hexa-\m~2~-oxido-tetradecaoxidooctamolybdate(VI) monohydrate ; _journal_coeditor_code BT2468 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2320 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 73.411 _cell_angle_beta 68.510 _cell_angle_gamma 66.702 _cell_length_a 9.9723 _cell_length_b 10.9891 _cell_length_c 11.0273 _exptl_crystal_F_000 774.00 _reflns_d_resolution_high 0.8085 _[local]_cod_data_source_file bt2468Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 279.87 _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 2 0 0 3603.17 3575.00 43.42 o 3 0 0 2044.48 2038.11 27.34 o 4 0 0 8400.46 8158.86 99.45 o 5 0 0 28052.65 27766.58 445.71 o 6 0 0 6745.72 6686.65 121.07 o 7 0 0 2.40 15.46 5.02 o 8 0 0 1173.27 1208.05 31.01 o 9 0 0 449.17 519.28 20.43 o 10 0 0 27.46 37.70 7.93 o -10 1 0 545.67 551.64 30.56 o -9 1 0 4171.44 4172.94 78.01 o -8 1 0 172.23 188.06 17.88 o -7 1 0 2860.34 2928.25 55.45 o -6 1 0 13893.83 13602.95 199.38 o -5 1 0 5666.48 5853.51 73.38 o -4 1 0 19606.93 18902.57 327.39 o -3 1 0 3316.67 3213.62 40.95 o -2 1 0 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60.19 o 6 3 12 90.93 94.14 15.29 o 7 3 12 12.82 12.70 8.37 o 8 3 12 2337.87 2333.20 77.44 o 0 4 12 384.72 389.27 19.35 o 1 4 12 50.57 60.19 8.90 o 2 4 12 189.61 188.14 18.05 o 3 4 12 1986.95 1868.29 44.82 o 4 4 12 2388.22 2254.91 50.55 o 5 4 12 1314.19 1325.94 35.94 o 6 4 12 185.98 175.35 12.85 o 7 4 12 885.83 873.10 27.83 o 8 4 12 2883.91 2830.70 86.78 o 9 4 12 87.68 76.40 14.56 o 0 5 12 1310.40 1259.91 37.07 o 1 5 12 382.58 351.48 18.53 o 2 5 12 14.26 11.72 6.10 o 3 5 12 1714.89 1664.24 42.12 o 4 5 12 1193.14 1138.54 33.23 o 5 5 12 1708.56 1761.91 43.32 o 6 5 12 42.68 60.54 8.86 o 7 5 12 565.81 588.58 22.64 o 8 5 12 194.17 230.31 14.45 o 9 5 12 267.38 330.52 26.21 o 1 6 12 3693.32 3532.06 72.67 o 2 6 12 238.31 270.72 16.43 o 3 6 12 11.62 15.00 6.39 o 4 6 12 387.86 389.46 24.22 o 5 6 12 3228.34 3126.43 64.75 o 6 6 12 17.14 17.33 10.76 o 7 6 12 1151.83 1160.15 33.89 o 8 6 12 1371.43 1389.01 37.94 o 9 6 12 776.27 790.47 40.15 o 1 7 12 1401.56 1363.72 48.41 o 2 7 12 1390.12 1386.50 39.25 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