#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015987.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_2015987_Fobs loop_ _publ_author_name 'Domasevitch, Konstantin V.' 'Gural'skiy, Il'ya A.' 'Solntsev, Pavlo V.' 'Rusanov, Eduard B.' 'Chernega, Alexander N.' _publ_section_title ; Silver(I) sulfate coordination polymers with 4,4'-bipyridazine and pyridazino[4,5-d]pyridazine ; _journal_coeditor_code GD3101 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m259 _journal_page_last m263 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 67.172 _cell_angle_beta 88.971 _cell_angle_gamma 67.092 _cell_length_a 7.4829 _cell_length_b 8.4881 _cell_length_c 10.9267 _exptl_crystal_F_000 468.00 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file gd3101Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ip70a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 188.78 _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_ 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1725.97 31.94 o -1 2 0 9192.91 8493.74 120.39 o 0 2 0 5550.23 5024.81 122.96 o 1 2 0 9.93 12.17 7.30 o 2 2 0 10786.40 10992.84 54.42 o 3 2 0 11606.11 11817.10 57.21 o 4 2 0 220.79 220.23 10.62 o 5 2 0 2730.81 2765.70 27.36 o 6 2 0 301.92 309.35 12.60 o 7 2 0 69.02 72.98 16.33 o 8 2 0 943.68 955.73 22.13 o 9 2 0 426.09 426.29 11.63 o -7 3 0 483.07 499.58 22.14 o -6 3 0 62.33 50.66 11.81 o -5 3 0 1200.72 1098.13 28.76 o -4 3 0 1249.70 1168.77 18.93 o -3 3 0 255.41 235.70 8.71 o -2 3 0 7843.86 8052.67 151.88 o -1 3 0 1440.33 1386.76 21.44 o 0 3 0 1297.16 1405.06 15.32 o 1 3 0 14968.35 15494.50 159.40 o 2 3 0 4036.88 3644.48 27.67 o 3 3 0 6900.44 7318.39 257.06 o 4 3 0 8216.00 8246.69 360.46 o 5 3 0 210.88 213.00 10.49 o 6 3 0 6.00 5.38 11.85 o 7 3 0 93.78 95.24 17.22 o 8 3 0 10.64 9.86 12.41 o 9 3 0 252.27 257.54 12.31 o -6 4 0 479.27 520.12 18.35 o -5 4 0 1049.33 1023.77 15.95 o -4 4 0 2627.89 2532.97 53.67 o -3 4 0 2500.32 2332.39 73.62 o -2 4 0 517.91 535.56 10.30 o -1 4 0 672.37 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3080.70 24.12 o 6 6 0 1423.88 1367.61 78.61 o 7 6 0 14.32 19.50 14.29 o 8 6 0 128.33 127.66 18.21 o 9 6 0 35.04 34.32 11.59 o -3 7 0 309.04 327.13 12.94 o -2 7 0 2714.96 2861.12 34.39 o -1 7 0 857.48 874.15 21.45 o 0 7 0 802.70 786.93 9.52 o 1 7 0 203.96 211.46 9.33 o 2 7 0 302.84 305.30 10.87 o 3 7 0 1131.93 1087.96 17.69 o 4 7 0 922.35 873.92 37.18 o 5 7 0 184.18 261.74 13.53 o 6 7 0 607.76 559.31 35.73 o 7 7 0 0.48 1.99 13.82 o 8 7 0 0.27 3.42 25.45 o -2 8 0 620.74 653.12 18.04 o -1 8 0 881.38 883.74 11.96 o 0 8 0 21.77 23.37 10.34 o 1 8 0 101.82 132.22 9.35 o 2 8 0 1356.91 1360.82 114.05 o 3 8 0 1198.58 1149.93 13.67 o 4 8 0 460.38 479.50 14.03 o 5 8 0 712.84 624.21 49.16 o 6 8 0 68.76 67.78 12.17 o 7 8 0 259.49 242.89 15.00 o 8 8 0 10.12 7.39 18.75 o 0 9 0 172.35 145.94 20.02 o 1 9 0 779.99 839.21 25.61 o 2 9 0 68.72 57.73 12.23 o 3 9 0 1062.05 1088.23 48.40 o 4 9 0 313.09 310.86 13.61 o 5 9 0 145.68 127.41 14.22 o 6 9 0 64.14 70.09 14.25 o 7 9 0 325.43 373.90 30.04 o 3 10 0 19.33 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50.93 o -1 -4 1 1088.02 1086.79 16.33 o 0 -4 1 223.68 238.72 6.16 o 1 -4 1 454.64 439.12 8.14 o 2 -4 1 545.93 555.59 9.57 o 3 -4 1 5384.10 5354.27 75.56 o 4 -4 1 1601.38 1553.32 28.22 o 5 -4 1 322.34 332.89 12.61 o 6 -4 1 229.46 215.24 17.07 o -9 -3 1 58.96 59.22 11.33 o -8 -3 1 0.84 1.07 10.26 o -7 -3 1 87.23 90.18 13.14 o -6 -3 1 1045.08 1006.06 84.03 o -5 -3 1 2276.31 2225.60 31.47 o -4 -3 1 16357.49 17883.91 660.53 o -3 -3 1 4214.81 4121.00 105.24 o -2 -3 1 126.57 92.37 6.26 o -1 -3 1 82.33 76.58 7.90 o 0 -3 1 0.55 126.18 36.83 o 1 -3 1 7146.34 6999.98 63.12 o 2 -3 1 8919.73 8492.65 132.13 o 3 -3 1 2.19 18.25 6.50 o 4 -3 1 60.16 66.78 7.88 o 5 -3 1 117.44 111.22 10.77 o 6 -3 1 30.63 69.92 17.58 o 7 -3 1 960.94 960.28 26.65 o -9 -2 1 110.78 112.84 10.69 o -8 -2 1 9.90 10.94 12.52 o -7 -2 1 104.45 104.13 11.18 o -6 -2 1 2863.65 2784.69 52.63 o -5 -2 1 859.92 839.81 42.28 o -4 -2 1 5117.06 5639.45 283.23 o -3 -2 1 1235.46 1203.96 66.25 o -2 -2 1 3201.54 3164.12 76.17 o -1 -2 1 345.10 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78.73 o 3 4 1 2.64 6.92 5.80 o 4 4 1 2.20 9.13 9.91 o 5 4 1 803.72 702.95 36.93 o 6 4 1 3127.03 3158.81 36.38 o 7 4 1 262.36 264.94 16.46 o 8 4 1 1153.49 1170.05 24.31 o 9 4 1 159.17 160.42 22.81 o -5 5 1 998.80 1003.11 40.30 o -4 5 1 122.56 123.60 8.81 o -3 5 1 96.74 101.27 9.36 o -2 5 1 2829.60 2653.17 17.09 o -1 5 1 1566.42 1522.46 13.92 o 0 5 1 2143.38 1991.78 15.66 o 1 5 1 2421.06 2803.95 143.18 o 2 5 1 2239.23 2196.60 14.38 o 3 5 1 1145.95 1078.28 11.31 o 4 5 1 2321.44 2203.84 74.87 o 5 5 1 103.91 107.78 11.62 o 6 5 1 2847.47 2675.17 156.61 o 7 5 1 570.58 581.39 24.32 o 8 5 1 8.47 9.12 13.27 o 9 5 1 2.03 1.75 11.54 o -5 6 1 42.82 42.43 12.91 o -4 6 1 546.67 556.34 18.78 o -3 6 1 1152.13 1141.55 20.61 o -2 6 1 738.66 702.10 17.57 o -1 6 1 5707.98 5547.70 58.66 o 0 6 1 999.20 982.00 16.53 o 1 6 1 1053.47 1017.18 18.83 o 2 6 1 13.27 17.58 6.75 o 3 6 1 1414.30 1333.27 12.20 o 4 6 1 296.00 271.12 8.45 o 5 6 1 1939.45 1744.28 22.05 o 6 6 1 75.50 79.74 14.04 o 7 6 1 13.02 14.08 13.48 o 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