#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/02/2200208.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_2200208_Fobs loop_ _publ_author_name 'Du, Miao' 'Guo, Ya-Mei' 'Leng, Xue-Bing' 'Bu, Xian-He' _publ_section_title ; Diazido[bis(2-pyridyl)amine-N,N']cobalt(III) perchlorate ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m97 _journal_page_last m99 _journal_volume 57 _journal_year 2001 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 74.903 _cell_angle_beta 78.792 _cell_angle_gamma 69.739 _cell_length_a 8.5545 _cell_length_b 9.2011 _cell_length_c 17.0362 _exptl_crystal_F_000 596.00 _reflns_d_resolution_high 0.8401 _[local]_cod_data_source_file ob6028Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 001202b in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 163.19 _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 6899.00 6892.68 64.26 o 2 0 0 8880.85 8663.09 57.89 o 3 0 0 4.10 7.60 5.09 o 4 0 0 249.56 211.36 12.65 o 5 0 0 1533.50 1526.98 33.54 o 6 0 0 1.69 -2.34 8.58 o 7 0 0 109.80 129.74 16.79 o 8 0 0 332.90 351.41 34.69 o 9 0 0 109.01 194.45 33.26 o -9 1 0 95.52 135.45 32.97 o -8 1 0 508.44 520.53 40.40 o -7 1 0 416.29 427.86 24.51 o -6 1 0 309.36 290.28 19.83 o -5 1 0 864.64 816.72 26.24 o -4 1 0 649.82 655.61 20.86 o -3 1 0 9.56 7.60 5.54 o -2 1 0 16900.72 17360.42 181.47 o -1 1 0 2016.92 2079.32 21.88 o 0 1 0 13443.81 13895.19 120.46 o 1 1 0 32.58 46.89 5.87 o 2 1 0 4749.48 4853.67 53.58 o 3 1 0 610.68 708.12 18.11 o 4 1 0 1041.40 1047.38 24.39 o 5 1 0 581.69 592.34 21.39 o 6 1 0 18.75 18.11 9.94 o 7 1 0 85.54 76.78 14.41 o 8 1 0 6.00 24.18 19.01 o 9 1 0 19.17 37.36 24.10 o -8 2 0 30.93 54.98 22.70 o -7 2 0 44.45 39.70 13.84 o -6 2 0 44.36 36.46 11.70 o -5 2 0 123.35 155.07 14.53 o -4 2 0 285.68 253.20 15.64 o -3 2 0 170.09 148.42 11.25 o -2 2 0 8.17 11.13 5.42 o -1 2 0 18.43 11.46 4.48 o 0 2 0 4334.95 4438.58 49.68 o 1 2 0 0.36 -0.86 4.72 o 2 2 0 1073.15 1037.62 17.56 o 3 2 0 4869.50 4676.56 55.74 o 4 2 0 1840.24 2048.53 25.23 o 5 2 0 190.41 197.24 14.21 o 6 2 0 58.74 52.02 11.37 o 7 2 0 275.75 288.84 19.87 o 8 2 0 3.89 8.70 15.19 o 9 2 0 6.87 11.54 20.36 o -7 3 0 41.76 41.71 15.77 o -6 3 0 42.47 -5.26 10.55 o -5 3 0 1146.71 1137.13 33.75 o -4 3 0 1426.42 1438.50 33.75 o -3 3 0 51.01 50.95 8.95 o -2 3 0 411.15 446.87 16.38 o -1 3 0 959.79 931.02 20.36 o 0 3 0 69.25 96.73 8.05 o 1 3 0 422.33 422.24 18.43 o 2 3 0 1609.51 1413.78 37.20 o 3 3 0 8892.54 9798.28 222.00 o 4 3 0 1678.84 1864.22 28.72 o 5 3 0 519.32 435.31 14.10 o 6 3 0 1305.59 1349.36 34.45 o 7 3 0 404.09 356.67 20.78 o 8 3 0 73.37 93.98 24.51 o 9 3 0 155.89 241.46 37.53 o -7 4 0 98.00 72.84 26.32 o -6 4 0 32.95 13.34 17.78 o -5 4 0 1485.31 1438.00 39.70 o -4 4 0 347.48 358.23 19.71 o -3 4 0 199.04 210.05 15.73 o -2 4 0 6409.90 6230.54 65.12 o -1 4 0 1638.74 1547.87 29.77 o 0 4 0 27.70 27.67 6.20 o 1 4 0 422.96 514.70 22.62 o 2 4 0 239.73 224.83 18.02 o 3 4 0 2578.16 3060.56 65.24 o 4 4 0 761.82 719.86 20.53 o 5 4 0 128.53 137.47 12.30 o 6 4 0 6.23 6.98 8.09 o 7 4 0 0.32 0.57 9.48 o 8 4 0 65.82 80.19 24.63 o 9 4 0 33.91 43.15 22.62 o -6 5 0 61.85 61.22 24.31 o -5 5 0 66.08 53.42 22.34 o -4 5 0 61.42 46.15 12.56 o -3 5 0 68.34 66.47 12.65 o -2 5 0 657.10 590.20 22.54 o -1 5 0 390.64 422.48 18.39 o 0 5 0 144.75 174.45 12.44 o 1 5 0 1.90 -0.08 8.46 o 2 5 0 790.59 863.20 34.16 o 3 5 0 189.81 199.95 19.91 o 4 5 0 1494.56 1454.71 31.42 o 5 5 0 257.46 256.66 15.80 o 6 5 0 909.55 952.78 48.94 o 7 5 0 11.70 9.20 16.87 o 8 5 0 4.83 12.11 17.94 o 9 5 0 199.77 186.77 35.68 o -6 6 0 0.45 -16.42 22.09 o -5 6 0 19.70 1.19 19.95 o -4 6 0 20.24 16.42 18.11 o -3 6 0 80.87 70.17 13.71 o -2 6 0 954.69 928.44 30.14 o -1 6 0 1525.55 1486.82 35.56 o 0 6 0 76.97 69.63 11.41 o 1 6 0 506.64 527.92 21.39 o 2 6 0 1952.27 1835.15 52.35 o 3 6 0 2.03 0.74 11.62 o 4 6 0 48.32 71.81 17.41 o 5 6 0 522.14 476.07 39.50 o 6 6 0 483.28 473.68 36.79 o 7 6 0 84.86 68.11 23.36 o 8 6 0 415.60 446.26 41.18 o 9 6 0 135.06 112.01 28.45 o -5 7 0 1.03 -3.49 22.83 o -4 7 0 13.64 9.44 19.13 o -3 7 0 20.67 20.73 19.30 o -2 7 0 485.98 512.40 38.96 o -1 7 0 253.47 269.63 18.72 o 0 7 0 242.79 242.32 17.65 o 1 7 0 2686.35 2679.18 50.50 o 2 7 0 1089.25 1201.22 50.87 o 3 7 0 253.75 217.40 22.66 o 4 7 0 647.58 759.98 42.62 o 5 7 0 352.48 397.32 34.24 o 6 7 0 5.59 5.01 16.01 o 7 7 0 67.04 75.46 24.76 o 8 7 0 292.77 225.20 37.24 o 9 7 0 32.93 41.30 24.10 o -3 8 0 3.22 21.64 22.70 o -2 8 0 0.95 -7.35 17.70 o -1 8 0 24.84 18.68 18.23 o 0 8 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22.25 o 0 -9 1 27.27 32.11 22.75 o 1 -9 1 15.60 16.83 21.14 o 2 -9 1 122.11 107.20 30.71 o -8 -8 1 39.88 6.49 21.68 o -7 -8 1 248.09 306.87 36.99 o -6 -8 1 313.26 271.10 32.76 o -5 -8 1 540.69 466.17 35.93 o -4 -8 1 15.12 21.27 16.14 o -3 -8 1 89.95 67.33 23.73 o -2 -8 1 759.58 721.10 39.33 o -1 -8 1 204.64 201.59 18.56 o 0 -8 1 3.98 0.29 10.26 o 1 -8 1 23.52 40.36 20.69 o 2 -8 1 154.00 139.97 29.93 o 3 -8 1 135.69 190.18 34.12 o -8 -7 1 82.61 80.51 25.66 o -7 -7 1 344.51 266.75 32.64 o -6 -7 1 871.20 859.99 49.27 o -5 -7 1 108.60 95.95 22.99 o -4 -7 1 66.19 76.29 18.64 o -3 -7 1 1126.77 962.84 44.83 o -2 -7 1 554.22 533.30 32.72 o -1 -7 1 355.11 324.52 19.71 o 0 -7 1 240.02 233.74 17.70 o 1 -7 1 53.59 56.70 13.02 o 2 -7 1 5.35 -3.41 10.67 o 3 -7 1 14.76 43.81 20.08 o 4 -7 1 269.86 217.65 34.82 o -9 -6 1 1.10 30.46 23.24 o -8 -6 1 20.37 22.66 20.45 o -7 -6 1 13.20 28.54 19.67 o -6 -6 1 66.39 84.33 22.62 o -5 -6 1 5.28 -0.66 12.81 o -4 -6 1 29.91 26.15 14.82 o -3 -6 1 3.18 -4.19 11.25 o 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