#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/28/2232889.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_2232889_Fobs loop_ _publ_author_name 'Zhu, Li-Cai' _publ_section_title ; Poly[[tetraaquabis(\m~3~-imidazole-4,5-dicarboxylato)tetrakis(\m~2~-imidazole-4,5-dicarboxylato)tricobalt(II)dilutetium(III)] dihydrate] ; _journal_coeditor_code PV2457 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1681 _journal_page_last m1682 _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 95.515 _cell_angle_beta 96.786 _cell_angle_gamma 97.195 _cell_length_a 7.0332 _cell_length_b 8.3468 _cell_length_c 17.8510 _exptl_crystal_F_000 751.00 _reflns_d_resolution_high 0.8347 _[local]_cod_data_source_file pv2457Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' s in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 223.65 _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 17721.96 17554.75 301.62 o 2 0 0 19038.53 17461.29 331.58 o 3 0 0 8940.92 8972.89 225.70 o 4 0 0 22.17 17.08 23.22 o 5 0 0 1144.97 1227.12 102.79 o 6 0 0 341.58 377.04 75.05 o 7 0 0 2565.41 2722.77 175.62 o 8 0 0 302.57 221.73 76.99 o -8 1 0 5461.61 5570.83 208.14 o -7 1 0 2278.55 2452.95 162.33 o -6 1 0 2128.18 1998.23 131.26 o -5 1 0 12976.70 12930.72 340.81 o -4 1 0 36.27 45.69 25.62 o -3 1 0 11330.61 10725.48 250.07 o -2 1 0 2906.07 2781.16 91.43 o -1 1 0 3901.42 3989.71 74.32 o 0 1 0 3131.01 3275.48 63.49 o 1 1 0 12057.26 12438.67 176.09 o 2 1 0 37096.08 36456.16 638.51 o 3 1 0 5563.89 5455.97 172.76 o 4 1 0 6815.55 6731.19 221.41 o 5 1 0 5299.46 5331.13 214.57 o 6 1 0 176.86 169.99 57.37 o 7 1 0 4767.60 4964.15 250.07 o 8 1 0 398.06 485.64 103.85 o -8 2 0 1240.60 1220.80 172.71 o -7 2 0 1428.27 1284.92 228.86 o -6 2 0 8154.26 7744.08 207.00 o -5 2 0 2049.06 2029.08 91.21 o -4 2 0 2541.00 2442.07 90.67 o -3 2 0 8172.02 7934.11 159.35 o -2 2 0 22220.26 22663.55 317.74 o -1 2 0 23423.72 23141.28 313.29 o 0 2 0 10915.35 10539.59 172.62 o 1 2 0 109.51 169.65 53.52 o 2 2 0 1351.65 1236.28 108.53 o 4 2 0 11442.61 11845.75 330.61 o 5 2 0 1563.02 1642.28 124.76 o 6 2 0 4613.42 4391.55 223.11 o 7 2 0 1622.55 1711.33 166.53 o -8 3 0 1724.55 1692.50 191.59 o -7 3 0 153.66 58.49 35.95 o -6 3 0 1774.30 1669.15 179.29 o -5 3 0 402.08 395.70 58.41 o -4 3 0 5308.17 5000.59 140.43 o -3 3 0 1238.31 1331.28 108.76 o -2 3 0 14701.56 14793.76 248.79 o -1 3 0 13448.51 13695.21 226.07 o 0 3 0 3017.70 2940.99 85.83 o 1 3 0 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313.88 336.42 97.20 o -7 -4 1 1023.56 1077.07 154.43 o -6 -4 1 14.64 -28.57 34.89 o -5 -4 1 1037.47 1171.14 129.46 o -4 -4 1 5814.43 5909.68 244.76 o -3 -4 1 1200.02 1017.82 75.24 o -2 -4 1 16151.85 15966.25 287.97 o -1 -4 1 2033.67 2059.72 83.81 o 0 -4 1 22668.72 21030.31 327.30 o 1 -4 1 24925.17 24669.93 478.70 o 2 -4 1 405.13 489.69 60.09 o 3 -4 1 2594.27 2696.23 103.39 o 4 -4 1 74.52 118.33 36.55 o 5 -4 1 1977.63 1967.40 109.34 o 6 -4 1 2933.35 2752.08 142.00 o 7 -4 1 156.94 221.17 79.06 o 8 -4 1 1781.33 1586.53 190.90 o -7 -3 1 3475.95 3497.21 228.24 o -6 -3 1 56.30 207.19 67.94 o -5 -3 1 4889.38 4954.69 226.99 o -4 -3 1 1229.19 1112.66 106.11 o -3 -3 1 8745.51 9234.51 229.94 o -2 -3 1 1908.98 1939.99 78.61 o -1 -3 1 451.06 440.36 38.41 o 0 -3 1 232.24 202.15 28.42 o 1 -3 1 602.58 609.03 56.98 o 2 -3 1 15626.34 16421.46 266.31 o 3 -3 1 18735.15 18769.88 307.37 o 4 -3 1 1017.54 1084.77 67.30 o 5 -3 1 8442.07 7737.84 241.39 o 6 -3 1 1110.48 1114.18 83.62 o 7 -3 1 1847.80 1886.35 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