#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/06/2010607.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_2010607_Fobs loop_ _publ_author_name 'Mostafa, Golam' 'Mondal, Arunendu' 'Laskar, Inamur R.' 'Welch, A. J.' 'Ray Chaudhuri, N.' _publ_section_title ; A three-dimensional network of cadmium ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 146 _journal_page_last 148 _journal_volume 56 _journal_year 2000 _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _exptl_crystal_F_000 1840.00 _[local]_cod_data_source_file br1256Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ... n2dien cadmium WELCH P A-3' _shelx_refln_list_code 4 _shelx_f_calc_maximum 415.62 _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 0 2 -9 1130.58 1007.95 142.76 o 0 4 -9 10049.15 10019.65 816.15 o 0 6 -9 968.99 936.74 143.08 o 0 8 -9 3773.91 4119.64 375.69 o 1 0 -8 3860.68 3135.84 208.77 o 3 0 -8 2448.29 2430.34 246.25 o 5 0 -8 5344.88 4498.77 410.44 o 7 0 -8 28.65 77.34 77.43 o 0 2 -7 5318.31 4681.95 402.68 o 0 4 -7 18815.23 17553.14 1320.09 o 0 6 -7 7807.89 7740.69 642.60 o 1 0 -6 6581.80 6279.89 357.34 o 3 0 -6 2773.82 3150.13 283.78 o 5 0 -6 828.79 922.20 127.46 o 0 2 -5 8143.80 9229.96 705.35 o 0 4 -5 3949.25 3551.22 311.04 o 1 0 -4 10137.85 11065.09 578.06 o 3 0 -4 8158.73 8778.52 669.30 o 0 2 -3 1995.92 2744.88 230.74 o 1 0 -2 16755.78 16901.35 836.01 o 1 1 1 84227.39 76269.09 3160.62 o 0 0 2 21523.83 11768.04 829.36 x 1 0 2 17560.90 17988.08 887.17 o 1 1 2 5321.26 4340.55 165.19 o 0 2 2 172738.06 194487.34 14756.03 o 1 2 2 12796.42 13582.50 687.12 o 2 2 2 55648.69 54807.23 6472.00 o 1 1 3 33135.58 29806.93 1031.98 o 2 1 3 9976.83 9695.86 508.06 o 0 2 3 2091.83 2882.46 239.74 o 1 2 3 10294.79 9938.52 518.98 o 2 2 3 1002.09 633.27 84.37 o 1 3 3 21466.95 23411.54 1170.06 o 2 3 3 13965.15 11787.79 875.31 o 3 3 3 31002.52 28720.11 3517.55 o 0 0 4 143739.14 140963.98 9442.07 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1015.21 o 1 3 7 2327.42 2756.20 186.20 o 2 3 7 2624.78 2509.59 245.93 o 3 3 7 25119.44 22969.25 1691.20 o 4 3 7 2214.01 2673.80 267.34 o 5 3 7 49.20 -36.31 61.97 o 6 3 7 4407.97 4137.14 386.13 o 0 4 7 19719.30 18526.15 1384.78 o 1 4 7 12176.20 12437.70 680.19 o 2 4 7 1239.27 1661.70 184.49 o 3 4 7 2177.28 2496.44 253.24 o 4 4 7 7176.61 8160.89 672.40 o 5 4 7 12202.91 12073.86 957.73 o 6 4 7 1357.64 1350.00 177.64 o 1 5 7 25949.31 25316.85 1315.89 o 2 5 7 1885.61 2605.37 263.08 o 3 5 7 48.12 7.08 64.56 o 4 5 7 12744.26 12911.30 1015.55 o 5 5 7 32158.80 33512.75 2451.26 o 6 5 7 2020.19 1819.03 214.62 o 0 6 7 8183.05 8044.06 663.26 o 1 6 7 4692.40 4891.18 309.70 o 2 6 7 13640.49 13490.75 1056.02 o 3 6 7 4293.77 4025.81 378.12 o 4 6 7 1295.89 1221.02 169.24 o 5 6 7 2069.43 1909.00 220.12 o 6 6 7 1890.26 1918.23 215.21 o 1 7 7 5807.54 5379.54 337.94 o 2 7 7 403.22 358.97 109.06 o 3 7 7 16611.33 17196.37 1324.01 o 4 7 7 1611.55 1974.86 222.08 o 5 7 7 1692.09 1228.52 163.33 o 6 7 7 2945.52 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2545.59 252.11 o 6 7 10 1719.13 1656.74 183.03 o 7 7 10 1.86 42.91 54.78 o 8 7 10 504.55 580.94 93.19 o 9 7 10 290.63 319.76 71.37 o 0 8 10 66.44 92.94 66.31 o 1 8 10 457.16 592.80 75.71 o 2 8 10 10771.58 10448.13 820.72 o 3 8 10 295.01 329.45 85.94 o 4 8 10 1935.50 1890.27 199.88 o 5 8 10 26.10 -6.17 55.17 o 6 8 10 481.12 618.35 97.39 o 7 8 10 506.38 586.78 93.98 o 8 8 10 6878.72 6164.13 492.25 o 9 8 10 253.08 180.06 58.03 o 1 9 10 239.14 330.02 58.67 o 2 9 10 1552.39 1526.18 171.08 o 3 9 10 177.46 136.44 73.53 o 4 9 10 2079.24 2073.20 210.32 o 5 9 10 241.50 405.72 106.82 o 6 9 10 864.69 1028.72 124.88 o 7 9 10 304.00 268.86 68.75 o 8 9 10 245.92 258.89 63.46 o 9 9 10 717.56 761.91 93.05 o 0 10 10 10009.29 10247.10 788.09 o 1 10 10 389.33 353.22 55.21 o 2 10 10 7.56 20.71 52.31 o 3 10 10 273.96 178.15 64.62 o 4 10 10 3555.51 3630.54 317.00 o 5 10 10 11.87 6.97 48.57 o 6 10 10 4361.87 4095.37 342.25 o 7 10 10 7.68 30.91 42.72 o 8 10 10 60.25 101.22 54.64 o 9 10 10 134.43 100.28 72.52 o 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16 0.60 61.20 36.35 o 8 0 16 363.63 289.66 51.50 o 1 1 16 11.83 -25.48 20.38 o 2 1 16 452.87 447.25 52.20 o 3 1 16 427.80 445.20 50.72 o 4 1 16 246.54 331.16 43.23 o 5 1 16 233.61 255.17 38.30 o 6 1 16 331.22 425.49 46.44 o 7 1 16 108.91 136.78 29.92 o 8 1 16 148.16 129.05 28.07 o 0 2 16 219.18 87.12 45.01 o 1 2 16 458.13 404.49 50.47 o 2 2 16 4696.61 5638.83 441.39 o 3 2 16 49.82 133.22 55.03 o 4 2 16 1128.71 1021.44 111.74 o 5 2 16 10.03 10.73 50.43 o 6 2 16 673.89 823.71 92.88 o 7 2 16 519.04 469.60 65.93 o 1 3 16 409.77 390.74 48.38 o 2 3 16 52.19 112.39 47.83 o 3 3 16 45.92 20.95 40.07 o 4 3 16 129.28 244.77 55.25 o 5 3 16 82.13 139.04 44.51 o 6 3 16 116.40 153.48 43.69 o 7 3 16 187.42 164.06 52.80 o 0 4 16 1699.01 1997.47 183.64 o 1 4 16 241.87 283.20 41.77 o 2 4 16 1124.22 1002.63 110.40 o 3 4 16 124.65 277.50 57.35 o 4 4 16 1737.53 1787.04 164.44 o 5 4 16 76.65 38.46 36.65 o 6 4 16 1143.36 1299.83 125.53 o 7 4 16 57.19 79.68 35.67 o 1 5 16 231.31 237.76 37.49 o 2 5 16 10.45 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