#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2102965.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_2102965_Fobs loop_ _publ_author_name 'Podsiad\/lo, Marcin' 'Katrusiak, Andrzej' _publ_section_title ; Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl ; _journal_coeditor_code AV5094 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 903 _journal_page_last 911 _journal_volume 63 _journal_year 2007 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _[local]_cod_data_source_file av5094cbm_100Ksup3.hkl _[local]_cod_data_source_block cbm_100K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma 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1 5 0 527.28 737.27 49.26 o 3 5 0 43.75 119.70 59.12 o 5 5 0 729.37 574.05 46.22 o 7 5 0 446.83 522.68 49.95 o -13 1 1 937.55 1007.95 107.79 o -11 1 1 10143.06 10779.47 117.40 o -9 1 1 3682.26 3226.11 152.69 o -7 1 1 8813.80 8282.58 367.70 o -5 1 1 2704.20 2525.16 45.33 o -3 1 1 608.54 540.97 23.36 o -1 1 1 7730.22 8393.79 167.02 o 1 1 1 21250.84 23332.65 267.73 o 3 1 1 43563.18 42836.25 1131.25 o 5 1 1 15792.63 15325.17 774.55 o 7 1 1 12018.94 10414.07 530.63 o 9 1 1 1084.32 1001.33 38.13 o 11 1 1 7.85 24.10 47.94 o 13 1 1 74.36 57.17 34.76 o -12 2 1 327.93 291.30 34.23 o -10 2 1 80.98 89.78 26.37 o -8 2 1 7108.29 6876.52 100.65 o -6 2 1 95.81 106.27 22.00 o -4 2 1 47106.28 44874.24 346.00 o -2 2 1 1309.23 1417.70 18.14 o 0 2 1 26274.59 28183.89 78.20 o 2 2 1 172.49 181.43 12.37 o 4 2 1 58.96 114.49 16.02 o 6 2 1 302.05 288.47 18.12 o 8 2 1 7774.33 7385.97 100.29 o 10 2 1 1178.51 1177.29 53.90 o 12 2 1 5653.67 6237.45 121.81 o -13 3 1 107.86 75.29 57.59 o -11 3 1 50.21 62.89 46.20 o 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13.42 o 4 2 2 6233.12 6023.24 256.26 o 6 2 2 19.90 43.85 18.16 o 8 2 2 3522.79 3369.20 78.75 o 10 2 2 377.72 300.25 34.69 o 12 2 2 291.51 403.19 67.33 o -13 3 2 798.91 729.64 90.44 o -11 3 2 4160.03 4442.48 298.14 o -9 3 2 436.89 356.57 42.25 o -7 3 2 0.11 39.74 15.07 o -5 3 2 1833.11 1715.03 38.19 o -3 3 2 11022.95 11105.27 261.18 o -1 3 2 14583.48 15083.78 405.36 o 1 3 2 14452.39 14796.81 152.75 o 3 3 2 12911.88 12547.62 525.76 o 5 3 2 2657.29 2432.90 125.56 o 7 3 2 378.54 357.53 38.37 o 9 3 2 28.71 39.36 24.89 o 11 3 2 2076.64 2006.49 100.39 o -10 4 2 3.68 45.66 31.60 o -8 4 2 2818.63 2623.81 225.84 o -6 4 2 194.54 176.45 21.29 o -4 4 2 2857.88 2980.95 71.08 o -2 4 2 736.89 673.03 31.92 o 0 4 2 59.72 90.38 20.20 o 2 4 2 691.17 645.59 42.07 o 4 4 2 1617.08 1605.41 68.39 o 6 4 2 193.96 181.33 35.67 o 8 4 2 2217.81 1946.04 229.10 o 10 4 2 0.00 56.15 37.73 o -7 5 2 138.03 104.68 27.57 o -5 5 2 74.41 105.90 29.83 o -3 5 2 1109.15 1175.57 68.84 o -1 5 2 254.06 444.56 54.50 o 1 5 2 290.75 276.18 62.32 o 3 5 2 1054.84 1127.69 82.23 o 5 5 2 44.10 67.05 33.39 o 7 5 2 194.06 219.44 81.08 o 0 6 2 37.26 29.28 45.36 o 2 6 2 3.85 42.47 40.86 o -15 1 3 2369.38 3078.76 530.36 o -13 1 3 391.60 433.08 47.01 o -11 1 3 183.38 161.44 32.14 o -9 1 3 517.39 501.91 24.76 o -7 1 3 9927.79 8959.15 96.88 o -5 1 3 18826.92 17078.09 187.52 o -3 1 3 46654.63 41336.41 2638.03 o -1 1 3 27754.70 29455.76 885.02 o 1 1 3 11930.97 11286.94 158.25 o 3 1 3 2243.24 1963.64 93.47 o 5 1 3 363.52 346.46 16.52 o 7 1 3 4089.14 4068.54 324.55 o 9 1 3 1724.81 1454.77 59.19 o 11 1 3 6218.38 6431.74 242.31 o 13 1 3 539.33 602.76 55.91 o -14 2 3 187.71 187.09 48.35 o -12 2 3 7671.98 8400.84 107.46 o -10 2 3 1457.73 1351.80 57.17 o -8 2 3 13096.80 12090.10 114.53 o -6 2 3 427.75 408.36 22.82 o -4 2 3 1468.21 1531.71 205.58 o -2 2 3 32.32 53.73 7.13 o 0 2 3 13572.05 14510.35 333.86 o 2 2 3 1077.88 1045.89 19.69 o 4 2 3 32502.81 33258.13 1206.94 o 6 2 3 278.49 251.04 26.78 o 8 2 3 7624.12 7309.95 274.68 o 10 2 3 26.04 100.37 43.06 o 12 2 3 3.27 31.03 31.92 o -13 3 3 32.02 41.68 29.66 o -11 3 3 123.28 230.45 59.69 o -9 3 3 462.12 392.38 49.34 o -7 3 3 130.83 130.56 18.81 o -5 3 3 649.85 739.44 35.24 o -3 3 3 436.62 457.00 23.20 o -1 3 3 171.73 236.13 26.49 o 1 3 3 719.25 922.46 34.95 o 3 3 3 468.96 715.50 59.39 o 5 3 3 197.03 232.21 29.75 o 7 3 3 7.98 39.30 25.80 o 9 3 3 60.63 62.29 35.23 o 11 3 3 22.39 93.64 32.39 o -12 4 3 1769.05 1782.62 113.99 o -10 4 3 146.19 154.54 31.48 o -8 4 3 5512.66 5122.66 84.62 o -6 4 3 2.30 40.22 16.28 o -4 4 3 423.34 454.49 29.19 o -2 4 3 174.28 181.21 19.76 o 0 4 3 5372.99 5966.40 76.37 o 2 4 3 75.38 112.82 47.87 o 4 4 3 6810.06 7474.60 116.01 o 6 4 3 469.30 468.62 34.84 o 8 4 3 1585.82 1341.83 200.65 o -7 5 3 1182.78 1106.51 86.72 o -5 5 3 1422.40 1331.99 47.07 o -3 5 3 2670.07 2581.13 74.47 o -1 5 3 2511.63 2278.53 89.64 o 1 5 3 1872.78 1612.38 120.93 o 3 5 3 149.08 120.41 33.89 o 5 5 3 91.96 52.91 38.43 o -2 6 3 493.41 632.66 103.30 o 0 6 3 35.50 28.31 51.16 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