#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:31:14 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181246 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/24/2232482.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_2232482_Fobs loop_ _publ_author_name 'Ha, Kwang' _publ_section_title ; Dichlorido(2,3-di-2-pyridylpyrazine-\k^2^N^1^,N^2^)palladium(II) ; _journal_coeditor_code TK5006 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1634 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 84.543 _cell_angle_beta 71.400 _cell_angle_gamma 71.475 _cell_length_a 8.1681 _cell_length_b 9.5480 _cell_length_c 10.1137 _exptl_crystal_F_000 404.00 _reflns_d_resolution_high 0.7501 _cod_data_source_file tk5006Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' [PdCl2(C14H10N4)] orange' _shelx_refln_list_code 4 _shelx_f_calc_maximum 209.74 _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 0 330.14 330.54 12.67 o 2 0 0 43992.36 44498.97 239.44 o 3 0 0 1119.90 971.27 20.47 o 4 0 0 2699.17 2543.93 34.21 o 5 0 0 1445.57 1275.59 32.26 o 6 0 0 149.38 112.04 12.31 o 7 0 0 542.18 533.57 26.78 o 8 0 0 5.48 7.05 10.44 o 9 0 0 44.78 38.94 47.97 o -9 1 0 55.30 -8.95 21.18 o -8 1 0 11.92 14.59 17.01 o -7 1 0 113.39 162.09 20.66 o -6 1 0 11.35 8.28 7.56 o -5 1 0 410.80 369.05 14.71 o -4 1 0 303.22 276.48 11.40 o -3 1 0 507.34 395.24 11.99 o -2 1 0 5366.15 5327.04 42.13 o -1 1 0 583.66 586.46 9.97 o 0 1 0 6816.58 7179.12 65.77 o 1 1 0 2966.60 3087.27 34.99 o 2 1 0 4432.82 4144.93 178.54 o 3 1 0 4889.57 4543.05 105.88 o 4 1 0 1550.43 1462.37 40.89 o 5 1 0 4802.02 4318.91 140.33 o 6 1 0 0.05 -1.02 7.01 o 7 1 0 1608.35 1584.31 46.58 o 8 1 0 123.60 148.34 17.54 o 9 1 0 211.44 186.03 30.06 o 10 1 0 54.68 74.77 20.62 o -8 2 0 29.24 -11.28 14.33 o -7 2 0 971.08 969.98 76.02 o -6 2 0 574.81 589.40 31.24 o -5 2 0 1489.59 1455.79 47.72 o -4 2 0 2121.70 2117.06 33.56 o -3 2 0 205.93 175.99 8.32 o -2 2 0 4386.63 4188.33 52.04 o -1 2 0 92.85 126.30 12.89 o 0 2 0 11654.07 12079.59 93.22 o 1 2 0 127.69 96.66 8.82 o 2 2 0 10481.23 10491.54 135.29 o 3 2 0 361.87 321.77 19.97 o 4 2 0 419.74 415.42 21.99 o 5 2 0 993.90 944.90 36.96 o 6 2 0 4.32 5.26 6.27 o 7 2 0 600.91 578.62 31.01 o 8 2 0 15.14 11.62 8.77 o 9 2 0 170.33 224.36 21.49 o 10 2 0 54.14 71.35 20.09 o -8 3 0 30.87 -4.07 15.67 o -7 3 0 703.30 772.23 70.24 o -6 3 0 658.85 663.67 60.44 o -5 3 0 744.23 728.11 26.23 o -4 3 0 2826.74 2912.17 48.81 o -3 3 0 230.54 197.36 11.21 o -2 3 0 5610.98 5628.89 61.21 o -1 3 0 528.62 485.84 28.12 o 0 3 0 2628.16 2533.39 32.13 o 1 3 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