#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2218563.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_2218563_Fobs loop_ _publ_author_name 'Legrand, Y. M.' 'Lee, A. van der' 'Barboiu, M.' _publ_section_title ; 4-Ammoniobenzamidinium dichloride ; _journal_coeditor_code WN2252 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o967 _journal_page_last o968 _journal_volume 64 _journal_year 2008 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _audit_creation_date 07-11-22 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 94.920(4) _cell_angle_gamma 90 _cell_length_a 4.1779 _cell_length_b 20.9388 _cell_length_c 11.6260 _[local]_cod_data_source_file wn2252Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status 2 0 0 629197.94 645756.94 10497.97 o 4 0 0 13641.57 12940.61 624.41 o 6 0 0 752.45 1158.58 1007.51 < 1 1 0 171980.75 178213.11 2612.68 o 3 1 0 9217.29 10492.68 413.69 o 5 1 0 225.70 512.00 704.74 < 2 2 0 7473.36 8936.67 322.53 o 4 2 0 2620.13 2993.41 429.37 o 6 2 0 -242.43 10.92 966.23 < 1 3 0 307724.75 293118.22 5822.10 o 3 3 0 19728.42 21589.20 622.82 o 5 3 0 121.05 260.62 674.08 < 0 4 0 253577.00 0.00 3711.47 x 2 4 0 130554.00 130504.49 1289.48 o 4 4 0 25189.64 23918.20 857.15 o 6 4 0 336.90 623.49 1066.98 < 1 5 0 50592.80 47057.23 601.98 o 3 5 0 388.35 467.00 303.83 < 5 5 0 572.58 854.72 725.83 < 0 6 0 212339.97 204978.92 4028.99 o 2 6 0 60745.27 59657.34 948.24 o 4 6 0 5281.66 5278.24 482.70 o 6 6 0 -177.13 59.62 1190.46 < 1 7 0 500519.03 520590.78 7191.63 o 3 7 0 44255.36 44464.00 945.65 o 5 7 0 737.10 958.61 769.29 < 0 8 0 50303.61 50712.47 595.14 o 2 8 0 17190.33 17261.86 562.55 o 4 8 0 2104.53 2156.96 527.85 o 6 8 0 -238.35 42.25 1179.00 < 1 9 0 188547.02 184351.81 1318.38 o 3 9 0 9959.24 10076.09 538.09 o 5 9 0 515.66 583.22 755.96 < 0 10 0 783.83 116.27 151.52 o 2 10 0 25812.80 27308.30 722.75 o 4 10 0 8696.26 8578.99 598.45 o 1 11 0 318200.19 316668.00 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