#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/56/2215622.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_2215622_Fobs loop_ _publ_author_name 'Takeda, Nobuhiro' 'Isobe, Toru' 'Sasamori, Takahiro' 'Tokitoh, Norihiro' _publ_section_title ; [1,2-Bis(phenylseleno)benzene]dichloridopalladium(II) ; _journal_coeditor_code OM2151 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2546 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 64.107 _cell_angle_beta 78.478 _cell_angle_gamma 74.274 _cell_length_a 8.7008 _cell_length_b 10.4873 _cell_length_c 10.9779 _exptl_crystal_F_000 540.00 _reflns_d_resolution_high 0.8254 _[local]_cod_data_source_file om2151Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' _Ph3Se2PdCl2_060208a' _shelx_refln_list_code 4 _shelx_f_calc_maximum 143.83 _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 2 0 0 1022.66 1074.57 16.91 o 3 0 0 5000.92 5055.80 110.41 o 4 0 0 25.32 21.64 1.18 o 5 0 0 249.25 270.39 5.46 o 6 0 0 7879.94 7881.51 140.52 o 7 0 0 2966.08 3007.47 54.55 o 8 0 0 579.02 595.28 15.74 o 9 0 0 124.08 118.89 4.78 o 10 0 0 1641.52 1681.71 41.42 o -9 1 0 289.15 283.14 8.26 o -8 1 0 1335.29 1344.59 31.85 o -7 1 0 503.42 485.59 12.73 o -6 1 0 3133.90 3117.98 56.53 o -5 1 0 14.75 22.05 1.30 o -4 1 0 3543.67 3604.29 64.72 o -3 1 0 73.94 66.27 2.57 o -1 1 0 3366.03 3543.50 62.90 o 2 1 0 2421.43 2424.94 37.47 o 3 1 0 1794.27 1844.98 33.72 o 4 1 0 16.12 9.02 1.89 o 5 1 0 4639.68 4550.46 82.39 o 6 1 0 981.23 898.29 17.11 o 7 1 0 3849.40 3837.58 70.07 o 8 1 0 769.42 756.96 18.63 o 9 1 0 3095.19 3089.11 71.63 o 10 1 0 105.27 112.21 5.49 o -9 2 0 599.62 593.06 21.77 o -8 2 0 800.79 792.80 19.96 o -7 2 0 181.34 178.94 5.40 o -6 2 0 1136.17 1164.57 27.61 o -5 2 0 202.00 191.92 4.31 o -4 2 0 1805.01 1861.59 34.20 o -3 2 0 188.17 157.69 3.38 o 0 2 0 1219.32 1281.38 18.01 o 3 2 0 178.81 173.40 3.82 o 4 2 0 1063.70 949.64 17.68 o 6 2 0 3391.60 3386.40 61.23 o 7 2 0 60.16 63.88 2.32 o 8 2 0 362.52 339.74 7.52 o 9 2 0 1013.59 1010.35 26.00 o 10 2 0 383.16 383.43 12.29 o -9 3 0 133.72 127.08 6.62 o -8 3 0 66.24 67.74 5.13 o -7 3 0 1531.66 1536.30 35.58 o -6 3 0 207.95 218.88 6.21 o -5 3 0 4921.89 5040.70 90.40 o -4 3 0 2065.81 2092.80 38.23 o -3 3 0 6964.04 7230.63 245.95 o -2 3 0 1141.15 1256.18 19.93 o 0 3 0 5699.87 5949.93 183.12 o 1 3 0 128.71 125.32 2.21 o 2 3 0 774.85 821.20 15.43 o 3 3 0 744.88 637.16 10.57 o 4 3 0 2921.32 2833.22 50.88 o 5 3 0 5910.41 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295.46 11.13 o -4 -8 1 1243.45 1245.73 30.97 o -3 -8 1 219.58 221.73 7.25 o -2 -8 1 582.17 576.52 14.79 o -1 -8 1 332.31 344.78 13.93 o 0 -8 1 754.58 745.61 18.09 o 1 -8 1 37.34 38.39 2.21 o 2 -8 1 5033.63 5310.95 118.69 o 3 -8 1 3576.04 3585.51 82.39 o 4 -8 1 174.39 172.71 8.24 o 5 -8 1 2323.34 2204.99 73.39 o -8 -7 1 963.20 1013.01 45.50 o -7 -7 1 1326.09 1342.06 32.97 o -6 -7 1 298.63 300.43 13.07 o -5 -7 1 1475.86 1450.59 34.38 o -4 -7 1 106.41 98.92 10.04 o -3 -7 1 2611.65 2606.51 69.89 o -2 -7 1 438.64 430.21 11.11 o -1 -7 1 412.76 394.61 8.03 o 0 -7 1 4471.94 4635.74 102.18 o 1 -7 1 9757.26 10101.81 219.82 o 2 -7 1 119.60 103.93 3.72 o 3 -7 1 174.43 178.86 5.78 o 4 -7 1 1434.95 1350.00 32.27 o 5 -7 1 343.69 337.93 14.42 o 6 -7 1 0.91 -1.52 3.46 o -9 -6 1 8045.24 8481.29 191.42 o -8 -6 1 1161.96 1181.15 29.69 o -7 -6 1 425.82 442.20 11.92 o -6 -6 1 946.71 949.41 22.90 o -5 -6 1 864.92 858.81 21.12 o -4 -6 1 32.10 35.84 6.32 o -3 -6 1 6633.24 6489.57 142.46 o -2 -6 1 2659.45 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