#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2213944.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_2213944_Fobs loop_ _publ_author_name 'Zheng, Jiang-Lin' 'Lin, Shu-Kun' _publ_section_title ; Poly[tetraaquabis(\m-hydrogen maleato)barium(II)] ; _journal_coeditor_code RZ2132 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1607 _journal_page_last m1609 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 92.345 _cell_angle_gamma 90.000 _cell_length_a 6.5280 _cell_length_b 19.0090 _cell_length_c 11.4930 _exptl_crystal_F_000 856.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file rz2132Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' RZ2132' _shelx_refln_list_code 4 _shelx_f_calc_maximum 300.91 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 41804.25 36845.30 1087.59 o 2 0 0 4032.00 4597.04 90.98 o 3 0 0 21739.93 23513.85 786.46 o 4 0 0 7295.48 7608.60 205.21 o 5 0 0 1842.39 1827.27 57.40 o 6 0 0 1443.90 1522.24 54.43 o 7 0 0 591.92 548.84 22.17 o 8 0 0 20.86 38.96 13.60 o 1 1 0 4.46 200.22 7.84 o 2 1 0 118.09 187.20 12.75 o 3 1 0 246.66 464.89 19.09 o 4 1 0 14.41 70.55 8.49 o 5 1 0 1.87 83.42 13.28 o 6 1 0 112.65 135.00 12.08 o 7 1 0 0.30 7.00 7.52 o 8 1 0 0.97 3.05 6.73 o 1 2 0 30398.93 28137.55 545.05 o 2 2 0 90544.23 77951.04 2130.83 o 3 2 0 22000.85 23739.86 577.62 o 4 2 0 104.82 159.93 10.22 o 5 2 0 3463.59 3417.93 62.58 o 6 2 0 2025.74 1995.42 38.13 o 7 2 0 76.25 105.29 9.46 o 8 2 0 81.72 87.42 7.98 o 1 3 0 43.94 103.48 4.74 o 2 3 0 124.40 312.65 17.78 o 3 3 0 759.44 977.28 19.78 o 4 3 0 483.03 554.29 14.26 o 5 3 0 2.16 125.58 9.52 o 6 3 0 233.91 284.17 16.30 o 7 3 0 177.66 200.34 10.48 o 8 3 0 1.08 6.91 6.81 o 0 4 0 24567.46 21046.68 532.75 o 1 4 0 20243.12 18748.53 330.11 o 2 4 0 21945.38 22443.30 421.59 o 3 4 0 19122.57 20434.74 383.76 o 4 4 0 13231.97 13767.04 268.17 o 5 4 0 3898.99 3824.33 62.54 o 6 4 0 95.51 151.05 9.88 o 7 4 0 108.22 151.29 11.50 o 8 4 0 278.66 217.12 12.40 o 1 5 0 1562.07 1522.34 24.48 o 2 5 0 354.66 438.83 11.54 o 3 5 0 27.76 208.84 11.82 o 4 5 0 1895.60 2225.90 41.48 o 5 5 0 906.92 958.51 21.30 o 6 5 0 212.42 224.34 10.61 o 7 5 0 98.51 119.18 9.12 o 8 5 0 19.65 30.24 7.89 o 0 6 0 19750.10 18946.73 477.66 o 1 6 0 26660.08 24044.32 459.42 o 2 6 0 12837.76 12845.88 213.29 o 3 6 0 6220.95 6518.08 112.67 o 4 6 0 7641.74 7670.78 125.69 o 5 6 0 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376.91 15.09 o 7 10 0 369.55 389.20 37.82 o 1 11 0 1122.02 1114.38 22.57 o 2 11 0 539.63 506.28 16.15 o 3 11 0 792.65 813.09 19.02 o 4 11 0 645.62 723.36 32.25 o 5 11 0 1282.86 1210.96 52.94 o 6 11 0 756.76 692.62 35.69 o 7 11 0 618.47 590.27 54.40 o 0 12 0 5370.91 5429.64 119.43 o 1 12 0 11190.20 11000.97 190.74 o 2 12 0 7422.65 7554.92 116.96 o 3 12 0 3270.19 3338.32 56.12 o 4 12 0 3527.51 3555.47 76.94 o 5 12 0 1083.48 1100.57 28.05 o 6 12 0 288.29 337.92 27.37 o 7 12 0 56.98 174.30 88.15 o 1 13 0 918.43 992.30 19.95 o 2 13 0 1189.58 1109.83 24.16 o 3 13 0 1352.72 1435.65 34.22 o 4 13 0 670.88 746.34 17.82 o 5 13 0 2427.36 2284.81 53.25 o 6 13 0 1129.70 1129.34 51.19 o 7 13 0 156.36 214.30 28.84 o 0 14 0 5768.62 5714.23 131.42 o 1 14 0 5894.02 5912.07 100.83 o 2 14 0 5004.27 5020.79 83.56 o 3 14 0 3181.88 3144.10 49.73 o 4 14 0 1188.30 1248.36 27.13 o 5 14 0 396.26 469.04 27.37 o 6 14 0 249.32 343.98 28.44 o 1 15 0 755.20 830.98 18.95 o 2 15 0 1788.03 1672.98 39.16 o 3 15 0 1737.03 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