#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/47/2014774.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_2014774_Fobs loop_ _publ_author_name 'Loiseau, Thierry' 'Ferey, Gerard' _publ_section_title ; A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga~2~(PO~4~)F~5~·C~3~H~12~N~2~ ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m315 _journal_page_last m317 _journal_volume 61 _journal_year 2005 _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 100.477 _cell_angle_gamma 90.000 _cell_length_a 6.2082 _cell_length_b 7.2183 _cell_length_c 11.2335 _exptl_crystal_F_000 198.00 _reflns_d_resolution_high 0.7212 _[local]_cod_data_source_file av1243Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' MIL-12 in P2(1)/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 144.71 _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+1/2, -z' '-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 1 0 0 3473.50 3798.46 84.23 o 2 0 0 1029.19 1024.14 28.01 o 3 0 0 10278.53 9149.39 198.91 o 4 0 0 7546.83 7701.68 170.18 o 5 0 0 2193.15 2250.61 57.93 o 6 0 0 477.54 499.90 23.39 o 7 0 0 536.95 532.81 47.37 o 1 1 0 1491.30 1554.15 35.84 o 2 1 0 1994.82 1923.62 41.34 o 3 1 0 18.43 22.47 6.08 o 4 1 0 3724.61 3707.77 61.52 o 5 1 0 16.82 16.34 7.81 o 6 1 0 1493.94 1538.49 35.83 o 7 1 0 148.75 130.28 28.67 o 0 2 0 3610.91 3545.45 136.10 o 1 2 0 1395.22 1501.40 48.30 o 2 2 0 1907.29 1556.50 37.11 o 3 2 0 2.02 1.60 6.68 o 4 2 0 49.29 58.47 9.44 o 5 2 0 1790.87 1984.59 73.79 o 6 2 0 408.71 431.52 32.83 o 7 2 0 49.15 40.73 34.51 o 8 2 0 904.05 839.66 61.91 o 1 3 0 30.93 47.67 7.53 o 2 3 0 47.37 35.95 17.81 o 3 3 0 99.68 107.35 12.14 o 4 3 0 1761.13 1800.94 49.11 o 5 3 0 16.48 20.95 12.69 o 6 3 0 1629.89 1738.82 52.26 o 7 3 0 220.51 208.64 24.75 o 0 4 0 20939.83 20075.52 504.11 o 1 4 0 2039.63 2142.43 49.84 o 2 4 0 194.51 217.11 22.00 o 3 4 0 4693.04 4637.71 127.35 o 4 4 0 3478.55 3457.54 84.46 o 5 4 0 479.20 497.07 24.63 o 6 4 0 589.98 548.03 28.57 o 7 4 0 1162.18 1128.30 73.67 o 1 5 0 1138.91 1209.84 34.61 o 2 5 0 1078.27 1167.35 41.91 o 3 5 0 45.36 54.50 16.13 o 4 5 0 1853.72 1903.33 52.97 o 5 5 0 10.49 13.88 17.32 o 6 5 0 769.10 723.89 36.23 o 7 5 0 57.61 43.97 39.24 o 0 6 0 4135.29 4143.52 114.02 o 1 6 0 1053.42 1082.99 33.34 o 2 6 0 4745.30 4750.45 131.36 o 3 6 0 22.73 2.71 15.86 o 4 6 0 9.21 10.46 13.98 o 5 6 0 280.11 297.36 27.88 o 6 6 0 399.90 365.51 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