#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2202230.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_2202230_Fobs loop_ _publ_author_name 'Lee, Uk' 'Jang, Soon-Jung' 'Joo, Hea-Chung' 'Park, Ki-Min' _publ_section_title ; Triguanidinium hexahydrogenhexamolybdocobaltate(III) tetrahydrate ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m345 _journal_page_last m347 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 93.930 _cell_angle_beta 105.950 _cell_angle_gamma 83.770 _cell_length_a 8.8210 _cell_length_b 11.6030 _cell_length_c 8.0130 _exptl_crystal_F_000 616.00 _reflns_d_resolution_high 0.7699 _[local]_cod_data_source_file ww6068Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' GoCoMo6 POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 264.28 _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 18559.00 15735.73 120.22 o 2 0 0 367.60 381.17 8.88 o 3 0 0 1657.39 1862.87 20.57 o 4 0 0 7911.49 7834.01 49.21 o 5 0 0 7207.93 7548.28 53.93 o 6 0 0 113.48 163.13 9.73 o 7 0 0 492.14 490.25 17.69 o 8 0 0 44.43 47.26 8.63 o 9 0 0 1.15 33.18 9.73 o 10 0 0 66.34 72.54 11.45 o -10 1 0 58.17 60.66 10.96 o -9 1 0 2198.97 2187.05 42.42 o -8 1 0 3042.30 2936.54 45.48 o -7 1 0 409.08 457.99 17.45 o -6 1 0 372.21 353.68 14.38 o -5 1 0 27196.68 25890.43 106.69 o -4 1 0 11380.83 10990.30 60.97 o -3 1 0 168.07 185.53 8.08 o -2 1 0 8887.45 8203.43 37.83 o -1 1 0 5515.78 5040.35 22.59 o 0 1 0 13349.79 12740.24 92.31 o 1 1 0 163.36 159.03 4.96 o 2 1 0 11999.38 11861.60 46.34 o 3 1 0 1952.88 1930.82 21.00 o 4 1 0 94.14 82.02 7.28 o 5 1 0 3198.70 3380.63 35.93 o 6 1 0 0.21 16.47 6.79 o 7 1 0 473.50 456.40 17.08 o 8 1 0 767.90 833.34 24.42 o 9 1 0 1169.29 1106.72 30.24 o 10 1 0 56.56 71.86 11.32 o 11 1 0 1472.10 1529.88 41.32 o -10 2 0 114.52 93.78 13.04 o -9 2 0 3216.52 3110.44 51.60 o -8 2 0 1273.39 1333.45 31.22 o -7 2 0 1284.74 1294.15 28.16 o -6 2 0 623.30 670.09 19.04 o -5 2 0 1990.37 1999.19 28.83 o -4 2 0 1574.60 1646.98 23.44 o -3 2 0 2072.01 2197.03 23.87 o -2 2 0 2422.86 2570.55 22.40 o -1 2 0 3338.16 3361.84 21.42 o 0 2 0 2662.35 2569.88 16.77 o 1 2 0 2372.15 2183.75 16.59 o 2 2 0 4194.07 4463.42 27.85 o 3 2 0 340.63 419.06 10.96 o 4 2 0 4278.80 4358.81 36.54 o 5 2 0 1352.74 1345.39 23.26 o 6 2 0 7185.91 7193.06 58.52 o 7 2 0 9045.02 9219.00 72.84 o 8 2 0 49.26 45.30 8.88 o 9 2 0 365.50 368.19 18.42 o 10 2 0 841.99 865.24 29.26 o -10 3 0 67.52 86.68 12.61 o -9 3 0 219.95 199.98 16.34 o -8 3 0 8.27 -1.78 8.39 o -7 3 0 808.38 882.93 24.00 o -6 3 0 164.78 201.08 12.00 o -5 3 0 1120.41 1107.33 22.28 o -4 3 0 1914.99 1904.32 26.26 o -3 3 0 1128.69 1290.72 19.59 o -2 3 0 1784.71 1721.29 20.44 o -1 3 0 606.90 844.85 12.98 o 0 3 0 9300.62 9278.32 40.77 o 1 3 0 5570.91 5404.68 30.42 o 2 3 0 51570.90 42522.61 323.57 o 3 3 0 15614.65 15138.60 65.19 o 4 3 0 1.18 24.24 6.06 o 5 3 0 31.94 53.56 7.04 o 6 3 0 7992.12 8335.71 63.91 o 7 3 0 3033.36 3021.62 43.22 o 8 3 0 218.39 226.61 14.20 o 9 3 0 355.86 356.32 18.42 o 10 3 0 100.99 112.02 13.53 o -10 4 0 88.96 101.67 12.85 o -9 4 0 32.18 37.34 9.73 o -8 4 0 0.95 -4.84 8.20 o -7 4 0 2032.00 2013.03 36.85 o -6 4 0 4747.03 4640.20 51.17 o -5 4 0 705.23 775.80 19.59 o -4 4 0 22.25 10.10 5.69 o -3 4 0 28262.35 26025.83 98.98 o -2 4 0 45083.68 37045.45 162.40 o -1 4 0 4063.08 4420.08 31.83 o 0 4 0 1994.83 2087.71 21.36 o 1 4 0 557.52 512.47 11.75 o 2 4 0 21236.59 20265.38 77.68 o 3 4 0 7539.18 8170.68 49.34 o 4 4 0 1948.17 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366.23 20.32 o -5 10 0 0.02 2.14 7.77 o -4 10 0 63.93 47.44 10.28 o -3 10 0 54.85 73.52 9.73 o -2 10 0 375.17 407.06 17.26 o -1 10 0 362.42 364.70 16.28 o 0 10 0 627.80 669.36 21.00 o 1 10 0 634.96 602.33 20.08 o 2 10 0 6435.04 6284.12 61.46 o 3 10 0 3419.99 3324.07 46.09 o 4 10 0 299.03 372.97 17.45 o 5 10 0 439.97 351.79 17.26 o 6 10 0 4512.54 4186.92 57.85 o 7 10 0 4512.71 4320.06 61.64 o 8 10 0 8.90 -8.45 8.45 o -6 11 0 204.57 199.37 17.51 o -5 11 0 28.60 46.52 9.92 o -4 11 0 18.24 10.34 8.69 o -3 11 0 3093.52 3105.67 49.21 o -2 11 0 4798.01 4946.81 60.05 o -1 11 0 254.22 251.34 14.87 o 0 11 0 7.30 11.51 8.81 o 1 11 0 1486.67 1648.69 33.42 o 2 11 0 8222.70 8509.62 76.39 o 3 11 0 1384.38 1503.93 32.93 o 4 11 0 329.70 244.24 15.18 o 5 11 0 29.86 3.61 8.63 o 6 11 0 683.22 724.08 26.20 o 7 11 0 0.39 16.89 10.22 o 8 11 0 723.67 637.04 27.24 o -5 12 0 4.65 25.46 9.86 o -4 12 0 63.28 74.37 11.26 o -3 12 0 1687.01 1703.11 38.93 o -2 12 0 3124.03 3156.90 51.05 o -1 12 0 3.63 5.94 8.39 o 0 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