#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/70/2017048.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_2017048_Fobs loop_ _publ_author_name 'Qiao, Qian' 'Wu, Guo-Qiang' 'Tang, Tian-Di' 'Ng, Seik Weng' _publ_section_title ; Poly[(N,N-dimethylformamide-\kO)(\m~3~-4,4'-ethylenedibenzoato-\k^5^O,O':O':O'',O''')(pyrazino[2,3-f][1,10]phenanthroline-\k^2^N^8^,N^9^)lead(II)] ; _journal_coeditor_code GG3189 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m146 _journal_page_last m148 _journal_volume 65 _journal_year 2009 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 102.751 _cell_angle_gamma 90.000 _cell_length_a 9.0255 _cell_length_b 25.5628 _cell_length_c 12.6422 _exptl_crystal_F_000 1520.00 _reflns_d_resolution_high 0.8287 _[local]_cod_data_source_file gg3189Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21/c' _shelx_refln_list_code 4 _shelx_F_calc_maximum 491.88 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 1 0 0 157556.02 171082.31 3743.22 o 2 0 0 62362.48 62271.68 1039.24 o 3 0 0 6999.69 7746.43 216.50 o 4 0 0 2387.44 2379.04 127.49 o 5 0 0 491.87 446.33 97.89 o 6 0 0 670.36 1016.17 128.98 o 7 0 0 803.76 592.52 174.97 o 8 0 0 9039.04 9111.05 445.01 o 9 0 0 12269.23 12847.97 867.12 o 10 0 0 6978.59 7308.39 763.93 o 1 1 0 1610.84 1880.50 153.88 o 2 1 0 14989.01 15286.21 347.37 o 3 1 0 2982.95 2869.10 105.05 o 4 1 0 14491.63 14219.53 220.12 o 5 1 0 17746.65 18003.95 293.81 o 6 1 0 10679.30 10068.63 433.29 o 7 1 0 5203.22 4912.02 226.25 o 8 1 0 2964.83 2781.08 243.17 o 9 1 0 1044.40 815.91 261.59 o 10 1 0 59.37 63.68 236.48 o 0 2 0 31094.84 31244.61 728.84 o 1 2 0 16427.98 17086.77 313.67 o 2 2 0 39688.18 40546.36 450.69 o 3 2 0 2746.29 3567.14 95.30 o 4 2 0 2867.92 3160.45 115.12 o 5 2 0 1097.58 1236.22 83.48 o 6 2 0 21.28 162.52 68.35 o 7 2 0 417.84 642.71 126.52 o 8 2 0 1197.63 1595.57 209.94 o 9 2 0 2528.69 2591.63 266.52 o 10 2 0 1235.55 1602.64 323.60 o 1 3 0 10499.24 10860.04 355.06 o 2 3 0 10445.37 8855.26 147.32 o 3 3 0 50694.77 49251.54 564.76 o 4 3 0 46350.99 45515.33 560.48 o 5 3 0 35445.43 31818.96 404.47 o 6 3 0 31761.47 29786.67 463.22 o 7 3 0 17348.69 16349.17 394.57 o 8 3 0 7836.19 6723.80 338.32 o 9 3 0 4225.91 4529.31 321.21 o 10 3 0 271.53 430.98 265.45 o 0 4 0 69761.68 73257.49 1651.32 o 1 4 0 30675.07 30523.71 697.78 o 2 4 0 121920.88 126753.47 1423.86 o 3 4 0 6189.33 5980.78 136.74 o 4 4 0 4289.91 4652.33 142.11 o 5 4 0 591.64 742.35 138.83 o 6 4 0 701.40 681.58 94.17 o 7 4 0 1162.52 1284.94 232.24 o 8 4 0 1526.45 1694.60 301.09 o 9 4 0 832.01 1231.09 275.31 o 10 4 0 3653.84 2792.28 399.97 o 1 5 0 7694.96 8039.81 154.29 o 2 5 0 53935.80 59860.55 1050.32 o 3 5 0 6243.73 6013.73 138.06 o 4 5 0 9748.71 10996.14 338.78 o 5 5 0 15736.48 15546.67 288.31 o 6 5 0 3646.35 3721.80 178.53 o 7 5 0 2167.25 2051.81 173.91 o 8 5 0 401.58 276.13 161.77 o 9 5 0 450.67 183.54 163.77 o 10 5 0 85.81 -85.39 184.03 o 0 6 0 54595.94 57393.29 963.21 o 1 6 0 47606.91 50685.21 611.76 o 2 6 0 167061.39 168450.97 2681.55 o 3 6 0 56665.54 61023.20 760.00 o 4 6 0 23331.83 24639.67 471.44 o 5 6 0 185.62 121.57 66.12 o 6 6 0 825.41 978.50 167.33 o 7 6 0 3021.31 3147.30 203.64 o 8 6 0 3677.35 4286.16 297.82 o 9 6 0 5735.93 5969.04 364.24 o 10 6 0 5329.29 5216.69 373.56 o 1 7 0 724.00 714.14 53.63 o 2 7 0 23934.91 24156.28 422.35 o 3 7 0 16710.35 16659.17 591.34 o 4 7 0 17833.00 16582.74 405.94 o 5 7 0 6444.36 6283.53 181.07 o 6 7 0 10317.46 9793.13 384.97 o 7 7 0 7698.29 7488.60 423.87 o 8 7 0 2150.61 2035.70 238.65 o 9 7 0 1025.84 524.85 199.38 o 10 7 0 319.43 224.53 193.39 o 0 8 0 17323.48 18311.29 403.37 o 1 8 0 13031.49 14958.10 244.59 o 2 8 0 11693.12 11619.79 270.00 o 3 8 0 3493.29 4624.52 239.30 o 4 8 0 2927.24 3103.20 115.35 o 5 8 0 367.29 606.45 108.67 o 6 8 0 132.51 219.75 110.00 o 7 8 0 4920.96 5383.56 258.39 o 8 8 0 599.56 818.09 198.69 o 9 8 0 1249.13 1546.32 246.62 o 10 8 0 1343.11 1094.95 246.26 o 1 9 0 18973.93 20071.97 312.42 o 2 9 0 20437.44 20349.14 396.58 o 3 9 0 19222.43 17044.23 429.57 o 4 9 0 15241.84 14775.89 379.18 o 5 9 0 37870.02 36547.05 708.58 o 6 9 0 16199.50 15267.78 392.84 o 7 9 0 21494.63 21610.47 504.65 o 8 9 0 8567.28 8190.82 400.20 o 9 9 0 2994.50 3165.79 432.01 o 10 9 0 302.84 322.43 219.56 o 0 10 0 21543.86 21425.22 481.64 o 1 10 0 15297.52 15649.57 271.68 o 2 10 0 18765.16 19607.72 397.94 o 3 10 0 33591.16 33540.99 593.65 o 4 10 0 27464.17 28403.86 542.24 o 5 10 0 1097.66 1472.71 181.58 o 6 10 0 479.99 386.86 138.59 o 7 10 0 3031.79 3275.37 251.47 o 8 10 0 4503.53 4735.96 521.41 o 9 10 0 2205.94 2267.97 334.91 o 10 10 0 1524.69 1613.42 335.44 o 1 11 0 2504.63 2390.95 109.65 o 2 11 0 4272.56 4535.73 130.82 o 3 11 0 3129.13 3042.85 165.04 o 4 11 0 3721.75 4772.42 296.55 o 5 11 0 840.19 763.40 107.64 o 6 11 0 3628.26 3887.71 333.16 o 7 11 0 5715.10 5936.91 323.18 o 8 11 0 255.92 492.02 179.09 o 9 11 0 436.70 404.01 241.87 o 0 12 0 75775.47 75882.73 1339.59 o 1 12 0 77486.59 79738.57 985.80 o 2 12 0 43914.99 44546.11 606.71 o 3 12 0 17075.67 16669.24 391.31 o 4 12 0 14039.13 14299.92 497.97 o 5 12 0 25.96 196.80 153.41 o 6 12 0 71.95 167.00 140.81 o 7 12 0 2321.61 2454.36 240.37 o 8 12 0 5684.50 6631.16 368.88 o 9 12 0 5866.78 5620.41 464.88 o 1 13 0 1349.39 1692.62 103.53 o 2 13 0 4309.46 4223.81 145.57 o 3 13 0 13677.68 13469.77 355.89 o 4 13 0 12651.70 12512.24 393.36 o 5 13 0 18304.58 18034.01 493.43 o 6 13 0 15302.50 14929.68 469.10 o 7 13 0 7053.54 6827.20 392.88 o 8 13 0 2575.25 2696.53 349.20 o 9 13 0 976.40 843.62 328.94 o 0 14 0 4366.75 4443.39 233.24 o 1 14 0 620.22 830.77 87.00 o 2 14 0 1997.85 1904.52 108.79 o 3 14 0 479.71 801.35 123.88 o 4 14 0 619.65 728.22 128.51 o 5 14 0 963.31 837.48 246.54 o 6 14 0 16.64 -56.66 127.80 o 7 14 0 35.78 217.02 156.43 o 8 14 0 103.43 309.12 185.12 o 9 14 0 389.98 310.26 254.49 o 1 15 0 3639.76 3500.75 264.95 o 2 15 0 7050.44 6603.15 343.16 o 3 15 0 16482.42 15965.26 416.11 o 4 15 0 31845.96 31191.33 641.94 o 5 15 0 21137.64 21948.44 1451.31 o 6 15 0 3936.78 4133.34 282.59 o 7 15 0 11758.60 11479.68 692.49 o 8 15 0 4593.76 5124.28 352.94 o 9 15 0 1970.85 1933.33 591.34 o 0 16 0 28569.35 29893.86 700.88 o 1 16 0 27593.43 25657.23 445.30 o 2 16 0 9141.34 8632.75 302.72 o 3 16 0 3000.10 2733.63 281.69 o 4 16 0 419.44 355.30 124.05 o 5 16 0 3215.11 2969.40 307.36 o 6 16 0 1392.96 1905.69 231.25 o 7 16 0 96.51 34.19 161.63 o 8 16 0 1173.13 1326.13 238.10 o 9 16 0 3860.87 3785.32 445.87 o 1 17 0 332.46 621.89 95.60 o 2 17 0 110.09 269.28 109.16 o 3 17 0 124.05 225.06 113.29 o 4 17 0 540.55 411.93 135.64 o 5 17 0 1363.95 838.86 217.67 o 6 17 0 69.85 274.12 230.63 o 7 17 0 158.14 227.57 163.37 o 8 17 0 33.36 13.27 177.28 o 0 18 0 42022.02 41147.83 1357.21 o 1 18 0 28354.44 26583.79 476.61 o 2 18 0 19392.93 18084.36 512.39 o 3 18 0 6749.18 6590.64 293.29 o 4 18 0 4181.44 3511.79 417.32 o 5 18 0 150.75 544.70 210.12 o 6 18 0 53.04 23.45 149.83 o 7 18 0 1234.21 1353.18 241.81 o 8 18 0 1635.16 2032.99 287.31 o 1 19 0 759.73 850.09 144.15 o 2 19 0 5145.74 5079.60 263.38 o 3 19 0 10607.49 10092.81 364.97 o 4 19 0 7125.62 7611.74 332.59 o 5 19 0 7894.13 7892.25 470.02 o 6 19 0 9051.28 9488.64 438.42 o 7 19 0 2683.83 2772.26 295.24 o 8 19 0 2309.58 2325.24 293.92 o 0 20 0 2044.13 1941.61 217.85 o 1 20 0 674.43 770.35 148.43 o 2 20 0 2273.16 2247.71 201.65 o 3 20 0 17.33 197.87 128.83 o 4 20 0 759.25 570.43 159.09 o 5 20 0 60.11 -19.21 186.22 o 6 20 0 38.03 327.29 207.24 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