#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/36/2203600.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_2203600_Fobs loop_ _publ_author_name 'Kaska, William C.' 'Mayer, Hermann A.' 'Elsegood, Mark R. J.' 'Horton, Peter N.' 'Hursthouse, Michael B.' 'Redshaw, Carl' 'Humphrey, Simon M.' _publ_section_title ; [{(H~3~C)~3~NB(H)~2~NC}~2~Au][AuI~2~]: a linear chain polymer of gold(I) iodide with an unusual isocyanoborane ligand showing aurophilic behaviour ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m563 _journal_page_last m565 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 115.970 _cell_angle_beta 91.039 _cell_angle_gamma 102.127 _cell_length_a 6.0875 _cell_length_b 9.3080 _cell_length_c 9.6876 _exptl_crystal_F_000 372.00 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file hb6029Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 02src547 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 222.63 _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 2617.14 3002.11 394.78 o 2 0 0 45564.11 58597.98 1984.09 o 3 0 0 3851.35 4552.34 339.99 o 4 0 0 19282.62 21892.31 2172.05 o 5 0 0 1918.67 2689.17 79.28 o 6 0 0 6725.28 9056.34 462.48 o 7 0 0 388.11 537.96 43.67 o -7 1 0 404.08 526.68 42.42 o -6 1 0 9455.83 12790.13 995.93 o -5 1 0 1020.67 993.49 212.43 o -4 1 0 25339.48 33942.93 2479.89 o -3 1 0 2961.81 3751.19 140.55 o -1 1 0 7070.48 8354.46 1236.93 o 1 1 0 13612.67 15851.49 404.44 o 2 1 0 35065.30 38273.52 2439.58 o 3 1 0 3842.88 4132.06 581.09 o 4 1 0 14656.42 4292.57 6285.94 o 5 1 0 795.11 1089.29 28.45 o 6 1 0 5600.18 8055.01 355.10 o 7 1 0 228.79 200.74 25.74 o -7 2 0 599.18 702.31 56.87 o -6 2 0 9286.27 7354.56 1014.65 o -5 2 0 1963.70 2664.08 124.79 o -4 2 0 21584.73 28093.38 1148.05 o -3 2 0 4283.45 5952.21 191.18 o -2 2 0 31926.65 43123.83 916.12 o -1 2 0 11071.11 14892.30 337.92 o 0 2 0 49562.51 59991.20 1445.22 o 1 2 0 3945.31 4911.12 133.44 o 2 2 0 23881.64 27885.40 1055.12 o 3 2 0 1469.56 1899.02 124.09 o 4 2 0 11620.74 15364.11 896.58 o 5 2 0 384.74 529.18 38.80 o 6 2 0 4020.49 5973.32 414.27 o 7 2 0 24.48 18.71 19.16 o -7 3 0 423.35 448.93 57.73 o -6 3 0 8849.18 10386.44 815.12 o -5 3 0 1288.82 1590.77 81.83 o -4 3 0 17549.82 23335.05 479.52 o -3 3 0 3715.01 5317.59 106.41 o -2 3 0 31585.79 43310.03 895.26 o -1 3 0 1619.76 2173.70 49.36 o 0 3 0 28901.80 36525.69 731.71 o 1 3 0 2222.47 2791.26 62.76 o 2 3 0 19077.81 23553.21 929.83 o 3 3 0 354.22 460.56 40.89 o 4 3 0 7452.53 8253.02 777.51 o 5 3 0 34.36 39.66 12.42 o 6 3 0 2823.64 3992.50 271.10 o -7 4 0 400.77 467.28 51.62 o -6 4 0 7762.20 9691.52 516.23 o -5 4 0 800.72 1081.03 45.75 o -4 4 0 15601.15 21147.15 464.10 o -3 4 0 546.16 702.43 19.11 o -2 4 0 20256.89 27275.66 528.38 o -1 4 0 2428.90 3286.74 81.55 o 0 4 0 16241.17 20055.75 460.46 o 1 4 0 173.07 230.15 5.76 o 2 4 0 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