#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:19:25 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181002 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/82/2208214.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_2208214_Fobs loop_ _publ_author_name 'Wang, Ping' 'Li, Zhi-Feng' 'Song, Le-Ping' 'Wang, Chun-Xiang' 'Chen, Ying' _publ_section_title ; catena-Poly[[[\m-benzene-1,4-dicarboxylato-bis[tetraaqualutetium(III)]]-di-\m-benzene-1,4-dicarboxylato] dihydrate] ; _journal_coeditor_code WW6475 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m253 _journal_page_last m255 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 87.806 _cell_angle_beta 82.513 _cell_angle_gamma 86.215 _cell_length_a 7.5264 _cell_length_b 10.0492 _cell_length_c 10.4543 _exptl_crystal_F_000 494.00 _reflns_d_resolution_high 0.6985 _cod_data_source_file ww6475Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' song1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 212.11 _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 0 506.84 534.03 44.01 o 2 0 0 39253.96 40557.77 2857.29 o 3 0 0 4058.97 4233.25 190.14 o 4 0 0 16978.90 18348.50 808.00 o 5 0 0 5649.85 5617.34 487.31 o 6 0 0 1319.84 1310.55 128.41 o 7 0 0 7884.01 7746.77 760.26 o 8 0 0 436.01 399.21 56.17 o 9 0 0 2101.36 2165.49 253.10 o 10 0 0 23.22 23.73 55.54 o -10 1 0 1480.23 1522.63 175.76 o -9 1 0 56.77 65.83 53.75 o -8 1 0 2466.94 2417.92 216.36 o -7 1 0 598.00 591.06 82.37 o -6 1 0 12057.35 12067.39 1026.31 o -5 1 0 1552.14 1594.49 81.39 o -4 1 0 17754.31 17914.84 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1763.85 1831.86 96.79 o -1 11 0 220.33 244.45 54.50 o 0 11 0 1450.38 1510.53 127.69 o 1 11 0 1478.39 1533.98 127.21 o 2 11 0 477.06 494.66 88.22 o -5 12 0 653.34 655.91 124.81 o -4 12 0 116.06 115.46 97.25 o -3 12 0 999.10 1133.53 132.90 o -2 12 0 42.30 38.33 71.75 o -1 12 0 1411.30 1547.72 143.05 o 0 12 0 379.28 422.26 95.03 o 1 12 0 618.29 702.95 105.81 o 2 12 0 724.18 828.89 113.10 o -3 13 0 40.52 43.24 86.47 o -2 13 0 777.31 732.11 120.38 o -1 13 0 16.08 1.43 85.05 o 0 13 0 1160.16 1332.04 139.56 o 1 13 0 461.03 417.36 108.81 o 0 14 0 47.38 38.01 98.67 o 1 14 0 392.63 401.67 111.82 o 0 -14 1 467.73 423.22 112.93 o 1 -14 1 642.33 600.78 132.10 o -1 -13 1 627.84 622.96 115.15 o 0 -13 1 1001.01 921.11 129.73 o 1 -13 1 276.77 343.69 103.58 o 2 -13 1 841.64 876.61 94.01 o 3 -13 1 2.81 16.63 64.89 o -1 -12 1 385.04 337.68 91.71 o 0 -12 1 461.06 542.56 67.08 o 1 -12 1 1354.15 1390.75 95.01 o 2 -12 1 91.08 120.96 53.67 o 3 -12 1 1594.43 1599.81 103.67 o 4 -12 1 0.06 -17.50 59.69 o 5 -12 1 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