#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:36:46 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180792 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/23/2012336.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_2012336_Fobs loop_ _publ_author_name 'Shitagami, Kozo' 'Akutagawa, Tomoyuki' 'Hasegawa, Tatsuo' 'Nakamura, Takayoshi' 'Robertson, Neil' _publ_section_title ; Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene propanone solvate ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1271 _journal_page_last 1273 _journal_volume 57 _journal_year 2001 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cod_data_source_file oa1119Isup2.hkl _cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 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32501.08 2442.31 34773.41 o 1 1 5 5245.23 281.88 5172.46 o 0 4 3 79391.16 4961.92 78832.19 o 2 2 -3 5293.75 278.27 4767.72 o 2 2 3 12546.46 658.95 11980.17 o 1 3 -4 8892.82 480.07 8989.07 o 1 3 4 34711.16 1732.41 32593.74 o 2 0 -4 6546.78 261.50 4506.56 o 2 0 4 242092.31 9999.99 238288.50 o 0 0 6 198.90 69.21 47.03 o 0 4 4 29411.03 1521.65 28498.68 o 2 2 -4 6198.01 680.17 5566.27 o 2 2 4 1094.15 105.68 814.62 o 1 5 0 12357.82 704.21 11460.63 o 2 4 0 3124.71 260.22 2244.82 o 3 1 0 26005.78 1291.55 25282.59 o 1 5 -1 69187.84 3812.03 67452.19 o 1 5 1 40218.00 2249.37 41530.10 o 2 4 1 727.02 198.30 767.19 o 2 4 -1 4855.07 333.77 5443.69 o 3 1 -1 362.85 151.40 244.38 o 3 1 1 45993.86 2256.71 44135.68 o 0 2 6 714.99 116.56 541.17 o 1 1 -6 9506.97 716.78 11401.76 o 1 1 6 142453.11 7075.40 138995.09 o 1 3 -5 927.63 116.57 538.37 o 1 3 5 645.27 169.70 371.82 o 1 5 2 426038.59 9999.99 393784.25 o 1 5 -2 1021.64 137.25 1007.37 o 2 4 -2 6313.96 482.70 5822.25 o 2 4 2 42584.68 2129.97 40970.38 o 3 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1277.71 o 15 5 -13 336.86 122.34 679.69 o 3 17 -27 1088.17 346.82 848.38 o 5 23 -18 1299.32 334.14 1084.52 o 10 22 -8 279.74 127.33 192.47 o 8 18 21 519.51 207.91 602.49 o 2 0 34 797.14 312.83 870.63 o 15 3 -14 304.88 140.88 170.17 o 10 18 17 942.05 400.86 703.29 o 13 3 -21 603.26 241.33 271.58 o 4 28 3 815.16 234.60 678.01 o 4 4 -33 400.31 198.30 25.38 o 8 14 25 581.76 170.52 316.83 o 8 0 30 2409.55 344.25 2311.14 o 5 25 -14 624.92 249.77 727.23 o 3 23 -20 1113.99 328.24 983.14 o 11 17 -16 1205.37 276.36 1159.22 o 15 3 14 822.97 311.04 673.48 o 5 25 14 1364.82 230.80 1346.00 o 12 20 0 1267.17 354.72 972.25 o 12 20 -1 633.81 254.72 427.05 o 0 18 27 1065.76 251.32 961.56 o 1 29 1 1451.76 281.91 854.80 o 12 20 2 1157.77 305.05 1284.52 o 7 25 -10 812.02 272.08 913.26 o 9 9 -27 566.32 189.98 655.64 o 16 6 -6 455.21 217.12 380.42 o 10 22 -9 364.57 177.66 441.38 o 15 11 7 3022.56 444.20 2588.35 o 9 21 -15 679.42 212.56 295.88 o 12 0 -24 2683.47 425.85 1313.24 o 6 10 -30 1940.55 288.26 1854.80 o 2 14 30 633.53 237.91 622.69 o