#------------------------------------------------------------------------------ #$Date: 2016-04-02 20:34:17 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180769 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/90/2009081.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_2009081_Fobs loop_ _publ_author_name 'White, J. M.' _publ_section_title ; Trimethylgermylethyl p-nitrobenzoate ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1660 _journal_page_last 1662 _journal_volume 55 _journal_year 1999 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _exptl_crystal_F_000 1280.00 _cod_data_source_file ta1258sup2.hkl _cod_data_source_block jmwget #BEGIN Tags that were not found in dictionaries: _shelx_title ' TRIMETHYLGERMYLETHYL P-NITROBENZOATE 130K' _shelx_refln_list_code 4 _shelx_f_calc_maximum 486.89 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 2 0 0 87055.80 84996.06 134.05 o 4 0 0 72093.77 70482.61 156.97 o 6 0 0 67834.53 73936.91 197.31 o 8 0 0 19071.87 20109.66 121.68 o 10 0 0 2219.48 2011.40 51.93 o 12 0 0 770.61 747.64 39.06 o 14 0 0 3050.29 3045.98 58.10 o 1 1 0 9819.88 11054.19 41.19 o 3 1 0 29778.21 31625.96 93.96 o 5 1 0 18304.46 18386.07 87.81 o 7 1 0 66.27 51.76 21.53 o 9 1 0 1340.47 1447.23 43.47 o 11 1 0 8424.58 9010.78 105.66 o 13 1 0 7001.61 7341.70 92.79 o 0 2 0 237063.28 242822.39 1008.08 o 2 2 0 102835.99 114825.52 216.54 o 4 2 0 8274.52 9060.24 75.91 o 6 2 0 43397.16 48049.16 178.53 o 8 2 0 19905.40 20702.61 136.46 o 10 2 0 5084.64 5295.39 82.08 o 12 2 0 268.02 257.38 34.74 o 14 2 0 1922.51 1831.51 45.05 o 1 3 0 649.73 533.06 22.57 o 3 3 0 11395.19 12052.82 79.31 o 5 3 0 6106.40 5593.24 77.62 o 7 3 0 2342.14 2725.92 60.45 o 9 3 0 4607.15 4792.21 81.21 o 11 3 0 4026.90 4135.22 77.37 o 13 3 0 1998.94 2034.39 52.22 o 0 4 0 32085.91 32073.48 137.65 o 2 4 0 24210.61 25484.94 127.43 o 4 4 0 1880.74 2082.13 46.66 o 6 4 0 7841.98 7857.95 102.67 o 8 4 0 6202.13 6703.28 113.29 o 10 4 0 3247.45 3219.28 77.64 o 12 4 0 103.96 152.56 30.09 o 1 5 0 322.59 305.78 27.87 o 3 5 0 3209.21 2923.57 57.73 o 5 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92.20 o -10 2 4 4901.73 5240.70 81.66 o -8 2 4 566.88 732.08 34.58 o -6 2 4 10114.53 10525.41 81.81 o -4 2 4 28010.29 28981.79 128.30 o -2 2 4 242.83 134.39 17.78 o 0 2 4 3284.39 3247.21 24.86 o 2 2 4 16809.64 18156.93 85.24 o 4 2 4 45109.60 47936.81 168.53 o 6 2 4 3015.62 2730.20 53.43 o 8 2 4 1488.41 1917.95 51.36 o 10 2 4 11948.31 12538.48 129.72 o 12 2 4 10128.98 10695.76 119.80 o -13 3 4 14.94 29.46 25.71 o -11 3 4 802.37 777.95 42.36 o -9 3 4 12509.68 12757.81 125.76 o -7 3 4 5742.97 5792.10 78.98 o -5 3 4 19.24 39.97 32.32 o -3 3 4 5107.33 4947.96 51.84 o -1 3 4 28063.89 26197.32 104.90 o 1 3 4 5708.55 5790.33 52.65 o 3 3 4 839.98 983.81 31.60 o 5 3 4 1621.40 1717.44 44.24 o 7 3 4 8005.67 8071.60 101.36 o 9 3 4 4814.07 5344.58 97.85 o 11 3 4 659.10 646.85 48.57 o 13 3 4 950.49 907.08 41.66 o -12 4 4 2369.92 2229.53 56.80 o -10 4 4 1541.26 1473.68 57.72 o -8 4 4 493.71 484.21 50.95 o -6 4 4 559.24 592.22 43.18 o -4 4 4 6190.38 5949.40 70.77 o -2 4 4 4678.51 4250.98 53.93 o 0 4 4 1369.82 1395.69 24.16 o 2 4 4 8120.68 8423.94 77.32 o 4 4 4 32602.29 33579.87 176.70 o 6 4 4 1125.85 1088.82 49.12 o 8 4 4 769.64 861.88 46.79 o 10 4 4 7758.13 7204.88 105.97 o 12 4 4 3477.60 3049.48 63.12 o -11 5 4 2318.77 2046.69 59.19 o -9 5 4 963.33 1005.61 61.51 o -7 5 4 145.91 313.71 41.01 o -5 5 4 113.91 111.09 30.58 o -3 5 4 324.89 370.10 29.21 o -1 5 4 2133.93 1973.83 47.43 o 1 5 4 2987.39 3101.78 56.11 o 3 5 4 374.62 352.67 32.75 o 5 5 4 1527.63 1549.68 53.87 o 7 5 4 1117.90 1031.05 53.59 o 9 5 4 9.09 27.85 34.04 o 11 5 4 137.71 92.60 28.21 o -10 6 4 204.23 190.10 39.39 o -8 6 4 752.20 744.35 45.95 o -6 6 4 532.00 662.61 40.64 o -4 6 4 26.13 39.40 31.81 o -2 6 4 1689.74 1689.46 51.30 o 0 6 4 1176.04 1213.25 31.95 o 2 6 4 455.95 399.30 38.76 o 4 6 4 2783.61 2919.28 67.44 o 6 6 4 7391.62 6675.83 103.23 o 8 6 4 1542.08 1372.74 51.25 o 10 6 4 3490.32 2936.06 52.97 o -7 7 4 2.40 176.26 28.94 x -5 7 4 54.74 99.82 28.24 o -3 7 4 135.31 128.52 34.77 o -1 7 4 658.82 672.72 38.22 o 1 7 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