#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:32:17 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181174 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/53/2225352.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_2225352_Fobs loop_ _publ_author_name 'Lin, Dan' 'Lian, Ping' 'Xie, Yong-Rong' _publ_section_title ; Poly[(\m~2~-4,4'-bipyridine)(\m~2~-3,5-dicarboxybenzenesulfonato)silver(I)] ; _journal_coeditor_code RK2187 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m259 _journal_page_last m260 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.381 _cell_angle_beta 87.362 _cell_angle_gamma 78.671 _cell_length_a 7.9424 _cell_length_b 9.9699 _cell_length_c 11.6496 _exptl_crystal_F_000 508.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file rk2187Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' tref-1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 184.46 _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, -z' 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 0 615.48 618.08 15.34 o 3 0 0 4160.38 3838.70 48.66 o 4 0 0 2277.98 2193.38 32.86 o 5 0 0 0.59 3.60 3.16 o 6 0 0 80.19 90.32 7.19 o 7 0 0 199.28 210.84 13.82 o 8 0 0 30.04 38.74 9.52 o 9 0 0 26.60 20.10 17.78 o -9 1 0 5.19 -1.66 5.18 o -8 1 0 71.91 66.64 43.68 o -7 1 0 1126.68 1112.97 43.63 o -6 1 0 77.36 71.60 7.68 o -5 1 0 431.09 416.12 10.21 o -4 1 0 6967.21 6801.80 98.97 o -3 1 0 9120.58 8448.47 110.96 o -2 1 0 463.38 434.83 5.38 o -1 1 0 10086.61 9559.91 592.79 o 1 1 0 1133.28 1082.18 11.66 o 2 1 0 8.48 12.12 1.78 o 3 1 0 4868.96 4972.30 98.01 o 4 1 0 364.30 335.29 10.30 o 5 1 0 568.28 577.04 20.23 o 6 1 0 844.23 856.31 24.16 o 7 1 0 170.56 185.55 12.44 o 8 1 0 43.00 45.47 11.22 o 9 1 0 30.91 42.23 13.02 o -8 2 0 326.21 315.11 17.23 o -7 2 0 535.42 559.81 18.27 o -6 2 0 0.06 2.63 4.10 o -5 2 0 1369.58 1316.60 61.56 o -4 2 0 2698.22 2374.80 62.98 o -3 2 0 750.94 661.52 10.42 o -2 2 0 2120.48 1980.63 53.62 o -1 2 0 15701.35 16298.19 188.20 o 0 2 0 1157.06 1093.70 8.64 o 1 2 0 962.91 870.90 18.05 o 2 2 0 30170.42 35960.40 625.11 o 3 2 0 2891.98 2855.68 40.15 o 4 2 0 0.14 2.83 3.88 o 5 2 0 690.65 684.81 22.63 o 6 2 0 298.94 339.72 14.24 o 7 2 0 56.88 58.49 11.06 o 8 2 0 2.00 7.99 6.33 o 9 2 0 18.66 19.08 10.38 o -8 3 0 764.77 704.90 64.53 o -7 3 0 232.33 242.20 18.75 o -6 3 0 207.63 212.72 13.61 o -5 3 0 2532.65 2569.84 60.17 o -4 3 0 2958.36 2824.17 44.33 o -3 3 0 1508.03 1535.83 25.06 o -2 3 0 20985.92 22714.67 508.48 o -1 3 0 5652.05 5090.66 159.58 o 0 3 0 422.65 330.60 9.18 o 1 3 0 550.37 508.93 8.85 o 2 3 0 4712.21 4429.12 60.64 o 3 3 0 79.24 83.23 5.61 o 4 3 0 74.39 95.30 7.03 o 5 3 0 99.12 102.27 28.78 o 6 3 0 4.16 0.44 2.71 o 7 3 0 45.64 57.20 9.98 o 8 3 0 35.35 38.42 12.80 o 9 3 0 8.60 6.78 7.67 o -8 4 0 371.22 455.23 71.71 o -7 4 0 212.38 191.73 25.12 o -6 4 0 226.92 264.37 14.82 o -5 4 0 2361.30 2368.25 47.66 o -4 4 0 530.51 501.54 19.25 o -3 4 0 1017.04 1032.69 25.34 o -2 4 0 2255.27 2041.24 58.54 o -1 4 0 8022.80 7921.84 79.06 o 0 4 0 802.58 804.36 9.14 o 1 4 0 2736.48 2441.22 38.96 o 2 4 0 378.01 372.88 11.47 o 3 4 0 68.43 82.80 7.94 o 4 4 0 2126.66 2050.39 38.09 o 5 4 0 10.83 8.36 6.02 o 6 4 0 3.21 0.63 4.30 o 7 4 0 293.97 330.34 19.49 o 8 4 0 220.99 267.91 20.89 o 9 4 0 49.68 62.58 17.28 o -7 5 0 99.64 101.84 40.28 o -6 5 0 1482.70 1366.27 30.98 o -5 5 0 803.92 850.36 17.83 o -4 5 0 131.68 109.76 5.61 o -3 5 0 2317.75 2306.56 30.49 o -2 5 0 2527.09 2371.93 53.50 o -1 5 0 197.39 185.51 4.91 o 0 5 0 5688.94 5871.96 63.56 o 1 5 0 2246.92 2110.54 27.98 o 2 5 0 5.98 5.49 4.10 o 3 5 0 154.57 155.01 10.90 o 4 5 0 384.05 403.90 24.01 o 5 5 0 28.28 29.89 7.58 o 6 5 0 59.82 78.08 11.41 o 7 5 0 89.89 90.94 16.55 o 8 5 0 13.47 20.10 10.23 o 9 5 0 10.10 28.48 15.70 o -7 6 0 130.49 147.71 49.18 o -6 6 0 892.72 831.17 34.70 o -5 6 0 792.30 748.34 14.26 o -4 6 0 138.62 191.56 10.82 o -3 6 0 873.18 840.40 17.19 o -2 6 0 1427.35 1384.65 22.47 o -1 6 0 18.13 26.30 3.14 o 0 6 0 694.39 632.37 11.97 o 1 6 0 503.46 542.05 12.84 o 2 6 0 303.85 298.42 11.96 o 3 6 0 1325.93 1389.88 34.76 o 4 6 0 83.66 106.57 16.95 o 5 6 0 52.70 76.22 11.09 o 6 6 0 1097.60 1216.77 62.86 o 7 6 0 83.43 89.97 15.04 o 8 6 0 5.89 23.89 11.47 o -6 7 0 271.65 326.92 37.68 o -5 7 0 4.01 6.42 3.49 o -4 7 0 1473.59 1424.46 30.42 o -3 7 0 211.25 247.18 11.59 o -2 7 0 2.65 8.98 3.54 o -1 7 0 1025.18 1053.11 16.67 o 0 7 0 348.28 341.68 12.83 o 1 7 0 0.48 1.15 3.14 o 2 7 0 2540.31 2608.89 82.24 o 3 7 0 556.23 609.32 26.63 o 4 7 0 8.17 5.64 6.77 o 5 7 0 300.31 345.80 30.88 o 6 7 0 514.10 597.06 34.57 o 7 7 0 3.14 6.33 8.13 o 8 7 0 4.90 2.94 7.70 o -5 8 0 222.87 262.00 33.49 o -4 8 0 693.87 709.43 21.59 o -3 8 0 98.26 92.31 9.65 o -2 8 0 230.05 264.72 13.48 o -1 8 0 997.90 1082.37 27.49 o 0 8 0 30.64 30.49 5.88 o 1 8 0 127.38 126.69 8.50 o 2 8 0 397.07 407.29 17.80 o 3 8 0 73.50 107.57 10.99 o 4 8 0 57.94 72.35 12.04 o 5 8 0 291.02 329.02 38.04 o 6 8 0 147.05 189.85 28.95 o 7 8 0 4.35 3.73 10.81 o 8 8 0 130.70 204.83 26.02 o -4 9 0 146.96 132.01 12.21 o -3 9 0 4.93 8.98 4.93 o -2 9 0 851.60 861.83 27.05 o -1 9 0 103.64 134.48 11.59 o 0 9 0 152.33 172.32 10.49 o 1 9 0 975.61 1014.16 25.84 o 2 9 0 165.46 166.58 17.93 o 3 9 0 1.00 5.03 6.20 o 4 9 0 462.99 575.95 33.58 o 5 9 0 249.39 320.40 24.39 o 6 9 0 28.09 35.75 13.87 o 7 9 0 0.19 -1.58 9.50 o -3 10 0 138.62 135.36 14.23 o -2 10 0 534.27 592.99 25.89 o -1 10 0 0.22 3.66 6.21 o 0 10 0 224.98 218.95 16.62 o 1 10 0 505.12 594.15 22.87 o 2 10 0 178.48 179.20 15.28 o 3 10 0 22.64 17.87 8.48 o 4 10 0 270.91 251.54 70.85 o 5 10 0 102.42 -1.98 5.80 o 6 10 0 24.94 27.88 26.15 o -1 11 0 7.19 4.46 6.31 o 0 11 0 316.27 364.68 18.44 o 1 11 0 236.39 314.24 32.55 o 2 11 0 9.47 5.55 6.86 o 3 11 0 130.51 50.13 33.36 o 4 11 0 115.50 43.02 30.44 o 5 11 0 38.12 20.38 11.66 o -4 -11 1 23.17 16.98 10.77 o -3 -11 1 5.94 4.52 6.52 o -2 -11 1 7.68 5.03 6.21 o -1 -11 1 151.88 191.30 34.20 o 0 -11 1 427.80 481.49 25.95 o 1 -11 1 24.67 27.24 10.01 o -6 -10 1 1.26 3.90 9.28 o -5 -10 1 3.20 10.22 8.46 o -4 -10 1 71.68 61.36 23.39 o -3 -10 1 14.29 9.73 7.67 o -2 -10 1 160.35 168.18 15.38 o -1 -10 1 440.96 508.02 21.76 o 0 -10 1 5.12 6.01 4.99 o 1 -10 1 219.13 202.40 28.43 o 2 -10 1 548.85 616.81 25.89 o 3 -10 1 330.55 309.24 18.68 o -7 -9 1 0.33 -3.02 14.04 o -6 -9 1 17.25 12.05 10.74 o -5 -9 1 56.19 33.86 26.42 o -4 -9 1 203.26 276.59 19.76 o -3 -9 1 74.98 69.92 12.89 o -2 -9 1 600.98 655.40 27.96 o -1 -9 1 369.03 401.27 19.77 o 0 -9 1 10.98 9.32 4.78 o 1 -9 1 805.23 854.05 21.03 o 2 -9 1 1708.63 1790.72 42.92 o 3 -9 1 248.20 252.18 13.63 o 4 -9 1 92.37 107.94 27.90 o -7 -8 1 0.30 11.48 20.83 o -6 -8 1 27.36 42.06 15.93 o -5 -8 1 66.48 92.34 15.29 o -4 -8 1 0.39 5.01 7.61 o -3 -8 1 225.29 271.17 14.21 o -2 -8 1 1069.31 1094.57 38.90 o -1 -8 1 489.03 539.05 17.28 o 0 -8 1 231.75 236.58 13.03 o 1 -8 1 1358.30 1391.47 24.30 o 2 -8 1 912.15 980.43 23.07 o 3 -8 1 0.82 3.08 3.63 o 4 -8 1 267.85 264.44 12.18 o 5 -8 1 213.12 263.73 36.28 o -8 -7 1 0.59 2.35 11.59 o -7 -7 1 0.12 14.48 16.65 o -6 -7 1 134.74 160.93 20.41 o -5 -7 1 29.20 41.79 13.32 o -4 -7 1 32.28 39.12 11.19 o -3 -7 1 645.40 677.21 22.89 o -2 -7 1 1529.83 1579.21 44.14 o -1 -7 1 27.26 39.29 5.98 o 0 -7 1 1061.20 1022.91 20.81 o 1 -7 1 2058.04 2022.89 26.68 o 2 -7 1 708.21 721.43 18.24 o 3 -7 1 91.27 102.11 8.28 o 4 -7 1 1231.42 1209.90 19.68 o 5 -7 1 308.25 290.24 16.02 o 6 -7 1 15.66 1.05 9.07 o -8 -6 1 0.15 11.98 12.78 o -7 -6 1 109.68 129.79 21.12 o -6 -6 1 941.96 1163.42 38.49 o -5 -6 1 204.46 274.38 17.50 o -4 -6 1 314.12 333.06 17.13 o -3 -6 1 831.46 875.29 23.54 o -2 -6 1 191.73 238.98 9.24 o -1 -6 1 340.40 355.49 10.92 o 0 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167.83 o -2 0 1 608.92 559.47 19.27 o -1 0 1 604.39 572.56 12.40 o 1 0 1 446.50 425.05 3.35 o 2 0 1 1101.43 984.45 19.79 o 3 0 1 3440.88 3208.40 38.92 o 4 0 1 1849.78 1810.94 28.07 o 5 0 1 274.78 284.00 8.13 o 6 0 1 756.39 759.44 16.73 o 7 0 1 1281.33 1320.28 27.81 o 8 0 1 196.86 206.28 12.62 o 9 0 1 100.76 73.62 45.34 o -9 1 1 96.77 47.05 38.97 o -8 1 1 4.32 7.49 6.89 o -7 1 1 62.45 65.48 8.39 o -6 1 1 551.26 494.74 21.90 o -5 1 1 317.84 290.15 9.91 o -4 1 1 2165.10 1989.28 29.43 o -3 1 1 435.95 368.75 8.62 o -2 1 1 178.96 182.49 5.07 o -1 1 1 1566.32 1374.36 38.42 o 1 1 1 48.04 51.87 1.90 o 2 1 1 4666.13 4355.19 54.10 o 3 1 1 380.06 321.25 7.43 o 4 1 1 263.11 255.92 10.55 o 5 1 1 420.95 433.46 13.17 o 6 1 1 3460.97 3628.79 64.58 o 7 1 1 2282.00 2498.90 52.88 o 8 1 1 0.06 3.10 4.34 o 9 1 1 123.52 128.28 15.53 o -8 2 1 81.65 44.52 32.43 o -7 2 1 181.15 183.96 13.14 o -6 2 1 41.84 48.12 7.66 o -5 2 1 437.44 386.02 11.13 o -4 2 1 475.96 398.23 10.91 o -3 2 1 5279.16 5213.08 70.31 o -2 2 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