#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:31:14 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181246 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/24/2232481.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_2232481_Fobs loop_ _publ_author_name 'Dabrowski, Marek' 'Durka, Krzysztof' 'Luli\'nski, Sergiusz' 'Serwatowski, Janusz' 'Warkocka, Jolanta' _publ_section_title ; Ammonia--triphenylborane ; _journal_coeditor_code TK5004 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3098 _journal_volume 67 _journal_year 2011 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 90.893 _cell_angle_gamma 90.000 _cell_length_a 10.36790 _cell_length_b 8.8238 _cell_length_c 15.7591 _exptl_crystal_F_000 552.00 _reflns_d_resolution_high 0.7709 _cod_data_source_file tk5004Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' jk1 in P2(1) ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 107.26 _shelx_f_squared_multiplier 0.010 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,1/2+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 _refln_sint/lambda 1 -11 0 2982.55 4500.91 1042.32 o 0.62518 2 -11 0 1546.06 2641.32 1006.78 o 0.63073 3 -11 0 1660.87 1456.87 983.09 o 0.63989 0 -10 0 77.80 496.30 564.92 o 0.56665 1 -10 0 287.56 824.45 459.49 o 0.56870 2 -10 0 7382.44 6514.50 646.12 o 0.57480 3 -10 0 93.07 396.01 460.14 o 0.58483 4 -10 0 1813.58 1604.80 623.58 o 0.59859 5 -10 0 7960.86 9093.14 882.85 o 0.61583 6 -10 0 1588.77 1481.40 647.50 o 0.63627 1 -9 0 23183.69 22031.88 747.03 o 0.51226 2 -9 0 4360.07 3837.84 524.34 o 0.51903 3 -9 0 10153.17 11138.57 689.85 o 0.53011 4 -9 0 5401.64 4249.69 538.19 o 0.54526 5 -9 0 11352.78 10821.67 710.60 o 0.56413 6 -9 0 4498.18 3027.84 555.16 o 0.58637 7 -9 0 4316.60 4722.54 785.14 o 0.61161 8 -9 0 7639.09 7240.82 849.65 o 0.63951 0 -8 0 8909.18 8619.51 684.55 o 0.45332 1 -8 0 8111.59 9034.36 478.83 o 0.45588 2 -8 0 13267.53 13215.35 555.37 o 0.46347 3 -8 0 13438.01 13903.26 700.28 o 0.47585 4 -8 0 4491.90 4404.98 500.10 o 0.49267 5 -8 0 27454.66 25861.77 959.71 o 0.51347 6 -8 0 1279.65 1424.20 449.41 o 0.53782 7 -8 0 18880.39 18279.07 853.15 o 0.56523 8 -8 0 3006.27 3492.14 689.10 o 0.59530 9 -8 0 3081.40 5069.44 1208.14 o 0.62764 1 -7 0 3888.22 4053.67 338.68 o 0.39958 2 -7 0 6687.15 7541.49 328.33 o 0.40822 3 -7 0 21439.85 21880.95 645.33 o 0.42222 4 -7 0 13080.66 12795.44 648.91 o 0.44108 5 -7 0 27866.95 25054.81 889.56 o 0.46421 6 -7 0 3240.41 3459.54 449.55 o 0.49100 7 -7 0 1781.14 2768.33 452.75 o 0.52089 8 -7 0 3773.47 4463.20 652.64 o 0.55337 9 -7 0 1306.80 1225.19 601.99 o 0.58802 10 -7 0 3451.90 3600.72 1030.47 o 0.62447 0 -6 0 224943.75 240761.53 5405.87 o 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