#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:43:51 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180801 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/32/2013257.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_2013257_Fobs loop_ _publ_author_name 'Trombe, Jean-Christian' 'Rozier, Patrick' 'Galy, Jean' _publ_section_title ; A new aquahydroxidocopper(II) oxovanadium(IV) vanadate, Cu(H~2~O)(OH)VO(VO~4~) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i50 _journal_page_last i52 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 99.902 _cell_angle_beta 101.139 _cell_angle_gamma 101.495 _cell_length_a 5.1290 _cell_length_b 5.3070 _cell_length_c 10.3590 _exptl_crystal_F_000 267.97 _reflns_d_resolution_high 0.8410 _cod_data_source_file fa1011Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Compound 2334' _shelx_refln_list_code 4 _shelx_f_calc_maximum 107.80 _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 0 241.89 243.81 10.61 o 3 0 0 97.70 88.75 9.19 o 4 0 0 15.47 20.51 8.51 o 5 0 0 102.76 98.12 7.41 o -5 1 0 106.22 98.06 7.54 o -4 1 0 629.71 609.83 17.87 o -3 1 0 932.73 990.14 35.48 o -2 1 0 4630.40 4475.30 143.43 o 1 1 0 416.81 492.16 12.36 o 2 1 0 1324.85 1284.03 40.15 o 3 1 0 3359.70 3634.47 193.84 o 4 1 0 225.44 213.05 10.10 o 5 1 0 233.14 215.39 11.65 o -5 2 0 96.59 82.44 14.84 o -4 2 0 155.95 165.93 11.59 o -3 2 0 2389.27 2441.83 78.27 o -2 2 0 9504.54 8852.83 266.30 o -1 2 0 632.07 695.13 16.81 o 0 2 0 262.63 212.12 9.98 o 1 2 0 293.16 302.80 11.34 o 2 2 0 8.46 10.58 5.07 o 3 2 0 41.65 41.84 4.17 o 4 2 0 2461.01 2382.14 56.75 o 5 2 0 33.36 30.27 5.65 o -5 3 0 2.34 1.84 8.12 o -4 3 0 2880.39 3111.94 100.15 o -3 3 0 183.01 211.76 12.58 o -2 3 0 963.45 923.78 32.50 o -1 3 0 0.43 1.15 14.28 o 0 3 0 17.80 13.82 1.97 o 1 3 0 2339.52 2334.55 74.58 o 2 3 0 1209.65 1149.47 77.30 o 3 3 0 610.54 596.74 39.06 o 4 3 0 111.54 114.16 7.04 o -5 4 0 586.29 628.08 29.43 o -4 4 0 797.91 850.95 34.27 o -3 4 0 51.93 126.02 11.16 o -2 4 0 1090.91 1291.94 45.39 o -1 4 0 2860.28 2928.55 66.24 o 0 4 0 120.96 115.11 5.84 o 1 4 0 573.56 501.18 47.38 o 2 4 0 655.11 654.97 57.45 o 3 4 0 0.74 6.60 2.87 o -4 5 0 792.47 775.97 34.69 o -3 5 0 4.51 13.42 6.92 o -2 5 0 224.97 207.12 12.56 o -1 5 0 24.33 28.05 3.14 o 0 5 0 1655.35 1671.25 30.81 o 1 5 0 5.95 5.71 3.72 o 2 5 0 1596.58 1555.29 243.26 o -2 6 0 524.17 517.13 22.87 o -1 6 0 19.57 23.59 6.58 o 0 6 0 191.35 195.86 8.25 o 0 -6 1 72.68 51.49 8.83 o 1 -6 1 2149.39 2064.87 73.33 o 2 -6 1 9.06 10.94 13.78 o 3 -6 1 560.72 527.69 29.43 o -2 -5 1 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