#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/40/2214002.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_2214002_Fobs loop_ _publ_author_name 'Zhu, Chun-Yuan' 'Li, Yan-Tuan' 'Wu, Jian-Dong' 'Wu, Zhi-Yong' 'Wu, Xia' _publ_section_title ; Tris[(3-aminopropyl)dimethylammonium] decavanadate(V) hexahydrate ; _journal_coeditor_code XU2250 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1777 _journal_page_last m1778 _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 90.451 _cell_angle_beta 94.214 _cell_angle_gamma 117.288 _cell_length_a 11.5251 _cell_length_b 11.7432 _cell_length_c 18.7089 _exptl_crystal_F_000 1388.00 _reflns_d_resolution_high 0.8335 _[local]_cod_data_source_file xu2250Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' B25 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 394.14 _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 50405.43 44916.89 776.68 o 2 0 0 29944.24 31442.49 278.30 o 3 0 0 36094.24 36043.50 337.99 o 4 0 0 10715.04 8884.83 211.15 o 5 0 0 1034.10 1667.35 73.02 o 6 0 0 1022.21 889.09 89.36 o 7 0 0 1742.62 1446.87 120.78 o 8 0 0 21127.21 22436.78 532.75 o 9 0 0 7575.65 7969.47 323.29 o 10 0 0 294.60 346.82 107.18 o 11 0 0 135.32 43.93 74.94 o 12 0 0 3554.99 3708.70 265.76 o -12 1 0 458.34 309.01 122.68 o -11 1 0 250.53 150.97 82.29 o -10 1 0 117.74 -8.57 58.35 o -9 1 0 91.23 85.55 65.28 o -8 1 0 796.29 891.51 84.96 o -7 1 0 0.84 -23.38 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o 4 8 0 45.92 73.72 61.88 o 5 8 0 270.01 346.28 110.44 o 6 8 0 773.27 690.79 148.66 o -12 9 0 13.67 -21.76 74.53 o -11 9 0 88.26 -11.70 63.79 o -10 9 0 523.61 643.16 204.76 o -9 9 0 15.09 17.18 37.91 o -8 9 0 382.53 305.25 60.94 o -7 9 0 372.61 520.21 129.28 o -6 9 0 959.56 926.59 91.60 o -5 9 0 86.90 81.88 39.39 o -4 9 0 906.38 860.12 89.63 o -3 9 0 16.11 13.19 45.84 o -2 9 0 50.03 -7.48 42.03 o -1 9 0 240.00 247.67 73.17 o 0 9 0 21.32 -39.99 39.99 o 1 9 0 243.92 473.58 104.46 o 4 9 0 11.14 -60.39 62.70 o 5 9 0 1095.79 1458.97 190.01 o -13 10 0 3020.20 3076.53 225.64 o -12 10 0 786.21 505.68 128.80 o -11 10 0 3519.64 3617.98 227.14 o -10 10 0 20.74 -54.95 54.95 o -9 10 0 541.06 431.69 110.71 o -8 10 0 6600.33 6727.86 191.35 o -7 10 0 5328.53 5489.34 186.94 o -6 10 0 1077.28 1027.70 91.59 o -5 10 0 988.44 1020.08 80.27 o -4 10 0 58.63 53.59 50.05 o -3 10 0 15.27 -33.73 42.84 o -2 10 0 2054.39 2025.86 148.52 o -1 10 0 680.34 694.74 119.82 o 0 10 0 755.06 875.63 133.56 o 1 10 0 197.34 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