#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/37/2203720.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_2203720_Fobs loop_ _publ_author_name 'Nockemann, Peter' 'Meyer, Gerd' _publ_section_title ; \m-Pyrazine-\k^2^N:N'-bis[diiodomercury(II)] ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m749 _journal_page_last m750 _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 95.720 _cell_angle_beta 109.300 _cell_angle_gamma 113.140 _cell_length_a 7.1070 _cell_length_b 7.1140 _cell_length_c 8.4360 _exptl_crystal_F_000 414.00 _reflns_d_resolution_high 0.8110 _[local]_cod_data_source_file cf6345Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' HGPZI P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 290.31 _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 21239.31 25144.19 634.47 o 2 0 0 5368.71 6113.99 184.11 o 3 0 0 7184.03 8245.82 317.67 o 4 0 0 2350.98 2880.58 90.16 o 5 0 0 3136.16 3871.92 512.38 o 6 0 0 176.24 207.03 75.06 o 7 0 0 361.68 411.49 105.52 o -7 1 0 161.11 121.31 83.81 o -6 1 0 910.92 819.96 83.06 o -5 1 0 284.96 317.11 57.97 o -4 1 0 5484.34 5230.22 312.43 o -3 1 0 1171.21 1189.01 68.14 o -2 1 0 2042.97 2088.34 78.08 o -1 1 0 10160.41 10539.26 378.49 o 0 1 0 3128.44 4407.31 256.40 o 1 1 0 8169.61 7111.09 317.63 o 2 1 0 218.58 191.70 114.49 o 3 1 0 6180.52 5737.08 792.67 o 6 1 0 147.78 193.20 107.46 o -8 2 0 258.93 152.03 81.30 o -7 2 0 238.57 260.54 93.31 o -6 2 0 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4233.50 108.50 o 0 1 1 4764.88 4086.76 120.35 o 1 1 1 12820.56 10978.37 197.26 o 2 1 1 4727.27 3791.65 196.69 o 3 1 1 985.87 994.97 116.90 o 4 1 1 4858.77 4962.58 218.91 o 5 1 1 297.44 341.50 119.48 o 6 1 1 75.10 75.62 105.27 o -8 2 1 0.86 19.57 80.49 o -7 2 1 1325.59 1286.54 70.08 o -6 2 1 676.95 592.20 104.93 o -5 2 1 6301.74 6234.52 94.89 o -4 2 1 19040.09 19104.81 281.38 o -3 2 1 26.01 68.36 68.56 o -2 2 1 1726.29 1786.98 143.37 o -1 2 1 584.75 576.85 70.50 o 0 2 1 48069.36 42871.65 367.84 o 1 2 1 19339.70 16259.98 365.22 o 2 2 1 3514.64 2883.55 107.96 o 3 2 1 3853.90 3363.21 169.94 o -8 3 1 938.90 1004.70 79.60 o -7 3 1 407.77 454.17 77.90 o -6 3 1 1950.61 2073.56 95.71 o -5 3 1 2625.37 2662.26 55.76 o -4 3 1 1917.45 1882.58 63.15 o -3 3 1 81.70 90.47 53.79 o -2 3 1 75.62 70.69 111.02 o -1 3 1 4644.29 4594.37 81.78 o 0 3 1 1637.86 1751.01 74.11 o 1 3 1 5464.84 4934.96 422.21 o 2 3 1 214.05 268.36 76.54 o 3 3 1 2455.64 2309.33 853.05 o -8 4 1 392.56 341.52 74.94 o -7 4 1 536.88 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