#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2014523.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_2014523_Fobs loop_ _publ_author_name 'You, Zhong-Lu' 'Zhu, Hai-Liang' _publ_section_title ; Bis(\m-2-aminopyridine)bis[(trifluoroacetato)silver(I)] ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m517 _journal_page_last m519 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 92.010 _cell_angle_beta 92.170 _cell_angle_gamma 91.090 _cell_length_a 6.7910 _cell_length_b 7.7310 _cell_length_c 8.7320 _exptl_crystal_F_000 304.00 _reflns_d_resolution_high 0.7970 _[local]_cod_data_source_file ob1201Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 115.83 _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 1 0 0 21.05 19.23 0.61 o 2 0 0 2647.75 2833.78 74.28 o 3 0 0 1565.34 1632.86 12.04 o 4 0 0 4053.23 4412.77 211.31 o 5 0 0 970.44 1024.55 12.02 o 6 0 0 590.92 594.29 18.93 o 7 0 0 357.21 358.50 9.80 o 8 0 0 18.52 16.12 3.25 o -8 1 0 66.64 62.71 5.47 o -7 1 0 227.63 236.62 9.32 o -6 1 0 258.88 263.78 14.55 o -5 1 0 624.62 697.54 22.82 o -4 1 0 541.95 554.18 14.11 o -3 1 0 350.93 412.39 6.36 o -2 1 0 7930.19 8332.66 52.41 o -1 1 0 1850.45 1971.64 35.55 o 0 1 0 2925.28 2443.32 44.48 o 1 1 0 1790.61 1817.60 9.17 o 2 1 0 6387.23 6466.71 131.69 o 3 1 0 1206.29 1246.78 31.98 o 4 1 0 1270.76 1441.24 16.96 o 5 1 0 1195.73 1299.66 28.21 o 6 1 0 126.93 129.70 9.32 o 7 1 0 413.26 447.26 24.36 o 8 1 0 0.59 1.05 1.27 o -8 2 0 224.64 228.25 10.00 o -7 2 0 14.95 17.91 2.94 o -6 2 0 893.65 909.90 17.26 o -5 2 0 163.75 161.30 4.58 o -4 2 0 1942.24 1938.35 26.79 o -3 2 0 43.93 47.19 1.58 o -2 2 0 8934.20 8780.62 170.13 o -1 2 0 892.30 1010.83 13.23 o 0 2 0 2544.07 2370.35 34.39 o 1 2 0 802.19 900.12 7.06 o 2 2 0 4588.72 4866.64 145.55 o 3 2 0 4548.64 4896.19 92.54 o 4 2 0 911.36 895.27 31.07 o 5 2 0 360.25 378.77 20.61 o 6 2 0 13.76 17.03 2.62 o 7 2 0 419.25 446.74 38.31 o 8 2 0 11.43 12.34 3.57 o -8 3 0 193.57 190.12 9.09 o -7 3 0 123.05 109.57 6.54 o -6 3 0 745.70 710.06 14.90 o -5 3 0 8.64 8.57 1.65 o -4 3 0 1597.12 1494.93 43.58 o -3 3 0 159.75 160.19 3.90 o -2 3 0 1784.88 1735.02 30.02 o -1 3 0 506.82 466.61 5.73 o 0 3 0 3560.15 3319.01 24.77 o 1 3 0 2367.40 2436.07 10.14 o 2 3 0 3186.98 3313.18 17.75 o 3 3 0 827.20 796.13 19.31 o 4 3 0 98.13 93.45 3.64 o 5 3 0 1260.79 1345.99 17.38 o 6 3 0 23.23 22.21 2.37 o 7 3 0 386.92 380.02 25.22 o 8 3 0 0.22 0.68 1.94 o -7 4 0 66.94 74.49 5.47 o -6 4 0 747.48 693.73 15.31 o -5 4 0 90.09 71.28 3.32 o -4 4 0 608.34 608.74 8.96 o -3 4 0 1107.57 1071.46 40.41 o -2 4 0 1110.11 1015.81 17.20 o -1 4 0 3.37 12.07 3.04 o 0 4 0 109.19 114.09 2.33 o 1 4 0 3535.58 3397.81 17.19 o 2 4 0 61.30 77.45 2.08 o 3 4 0 251.86 228.55 5.14 o 4 4 0 3.91 3.69 1.09 o 5 4 0 589.54 652.59 10.92 o 6 4 0 92.89 83.91 4.28 o 7 4 0 124.97 125.82 12.73 o -7 5 0 0.20 3.10 1.68 o -6 5 0 352.26 373.38 11.70 o -5 5 0 357.33 354.42 7.55 o -4 5 0 1868.93 1846.89 20.26 o -3 5 0 335.37 325.00 6.57 o -2 5 0 373.61 353.78 11.79 o -1 5 0 3832.48 3372.59 47.10 o 0 5 0 510.01 473.20 6.88 o 1 5 0 1369.34 1325.43 11.30 o 2 5 0 3.54 3.38 0.94 o 3 5 0 1206.09 1196.14 12.48 o 4 5 0 22.68 21.83 2.14 o 5 5 0 448.52 479.27 32.89 o 6 5 0 52.59 52.17 3.50 o 7 5 0 59.44 56.44 3.88 o -6 6 0 198.63 196.83 8.94 o -5 6 0 5.94 7.61 2.20 o -4 6 0 435.75 377.51 8.26 o -3 6 0 618.03 574.40 9.54 o -2 6 0 242.06 212.63 5.53 o -1 6 0 1425.13 1512.54 23.59 o 0 6 0 86.71 76.76 3.16 o 1 6 0 1046.89 1001.77 10.73 o 2 6 0 5.74 6.51 1.68 o 3 6 0 551.57 531.30 13.13 o 4 6 0 425.93 411.22 12.24 o 5 6 0 193.95 196.60 12.88 o 6 6 0 97.15 105.37 4.94 o -6 7 0 162.83 179.08 8.97 o -5 7 0 197.94 183.51 8.56 o -3 7 0 511.48 519.33 10.51 o -2 7 0 5.35 3.31 1.15 o -1 7 0 1333.41 1276.39 14.24 o 0 7 0 21.00 16.76 1.84 o 1 7 0 385.83 388.54 11.06 o 2 7 0 497.93 441.40 11.53 o 3 7 0 564.14 561.91 14.45 o 4 7 0 165.30 159.51 8.08 o 5 7 0 42.10 38.21 4.42 o -4 8 0 2.77 5.04 2.20 o -3 8 0 301.77 340.42 12.00 o -2 8 0 38.48 33.74 3.94 o -1 8 0 345.09 321.50 10.49 o 0 8 0 37.90 29.38 3.36 o 1 8 0 709.62 658.73 15.12 o 2 8 0 198.25 191.52 8.67 o 3 8 0 173.10 164.92 8.03 o 4 8 0 87.00 83.65 6.47 o -3 9 0 201.96 212.38 10.52 o -2 9 0 20.15 25.52 4.09 o -1 9 0 146.20 149.16 8.07 o 0 9 0 113.02 98.86 6.43 o 1 9 0 173.49 189.55 9.61 o 2 9 0 111.17 103.06 6.96 o -2 -9 1 115.92 121.00 7.59 o -1 -9 1 187.76 196.21 9.78 o 0 -9 1 48.23 49.68 4.57 o 1 -9 1 198.83 202.85 6.50 o 2 -9 1 4.38 9.03 1.78 o 3 -9 1 223.53 235.60 18.57 o -4 -8 1 90.42 91.03 6.74 o -3 -8 1 238.77 221.26 9.74 o -2 -8 1 148.11 130.17 7.12 o -1 -8 1 578.23 541.30 14.12 o 0 -8 1 7.22 7.40 2.05 o 1 -8 1 479.23 450.78 9.10 o 2 -8 1 20.20 25.58 2.47 o 3 -8 1 552.35 538.19 23.45 o 4 -8 1 35.49 37.14 3.34 o -5 -7 1 52.42 53.47 5.26 o -4 -7 1 195.88 164.79 8.41 o -3 -7 1 551.50 497.41 13.42 o -2 -7 1 194.48 183.18 7.78 o -1 -7 1 409.17 381.61 10.80 o 0 -7 1 48.76 47.76 2.89 o 1 -7 1 1093.96 1072.41 13.27 o 2 -7 1 0.18 1.42 1.05 o 3 -7 1 397.40 395.72 17.32 o 4 -7 1 69.45 69.50 3.85 o 5 -7 1 207.87 182.48 6.21 o -6 -6 1 30.95 38.67 4.57 o -5 -6 1 400.92 394.79 12.96 o -4 -6 1 205.98 226.81 9.21 o -3 -6 1 666.08 628.43 14.07 o -2 -6 1 44.51 39.66 3.47 o -1 -6 1 1856.00 1758.84 18.01 o 0 -6 1 94.46 92.61 3.37 o 1 -6 1 1277.73 1295.85 13.36 o 2 -6 1 251.87 263.20 6.17 o 3 -6 1 281.16 297.68 7.23 o 4 -6 1 588.36 566.05 18.11 o 5 -6 1 184.13 167.56 5.73 o 6 -6 1 198.19 196.24 8.78 o -7 -5 1 103.92 112.19 8.43 o -6 -5 1 64.37 70.97 6.68 o -5 -5 1 366.86 340.20 7.67 o -4 -5 1 5.33 7.34 2.13 o -3 -5 1 1362.45 1453.38 19.45 o -2 -5 1 8.84 7.35 1.42 o -1 -5 1 2314.57 2284.20 15.59 o 0 -5 1 167.54 141.37 3.82 o 1 -5 1 1814.13 1700.98 13.88 o 2 -5 1 1722.86 1789.15 15.30 o 3 -5 1 582.16 520.82 17.63 o 4 -5 1 977.35 1038.59 12.80 o 5 -5 1 112.53 104.85 4.16 o 6 -5 1 251.39 270.73 9.28 o 7 -5 1 5.71 1.42 1.78 o -7 -4 1 351.56 393.13 14.20 o -6 -4 1 15.93 14.89 2.09 o -5 -4 1 964.29 1012.21 13.34 o -4 -4 1 28.77 29.71 2.26 o -3 -4 1 1036.01 969.94 10.56 o -2 -4 1 165.62 166.08 2.83 o -1 -4 1 2485.40 2468.05 89.26 o 0 -4 1 431.25 438.24 5.91 o 1 -4 1 1496.63 1472.20 11.50 o 2 -4 1 1733.21 1686.41 37.13 o 3 -4 1 215.87 220.57 10.13 o 4 -4 1 877.45 862.54 23.40 o 5 -4 1 0.05 0.65 1.10 o 6 -4 1 271.65 284.82 7.02 o 7 -4 1 62.70 60.17 4.95 o -8 -3 1 2.12 4.67 2.62 o -7 -3 1 385.31 413.01 14.01 o -6 -3 1 6.41 7.27 2.70 o -5 -3 1 1073.66 1065.19 14.58 o -4 -3 1 380.86 364.15 11.32 o -3 -3 1 2189.86 2209.45 16.03 o -2 -3 1 1625.45 1574.53 41.74 o -1 -3 1 4427.85 4242.68 56.63 o 0 -3 1 4600.45 4007.43 30.92 o 1 -3 1 639.95 638.24 6.56 o 2 -3 1 4539.78 4440.85 18.83 o 3 -3 1 1058.75 1166.10 10.28 o 4 -3 1 2144.79 2239.69 19.55 o 5 -3 1 147.58 131.66 3.41 o 6 -3 1 1243.37 1351.02 47.93 o 7 -3 1 96.76 97.03 6.01 o -8 -2 1 13.73 14.86 3.31 o -7 -2 1 581.42 708.35 18.21 o -6 -2 1 76.75 69.68 4.40 o -5 -2 1 438.83 458.15 8.31 o -4 -2 1 585.31 554.53 21.21 o -3 -2 1 2930.24 3050.90 30.06 o -2 -2 1 241.00 210.57 2.50 o -1 -2 1 1472.71 1418.73 8.19 o 0 -2 1 1359.65 1342.95 8.85 o 1 -2 1 76.71 88.44 1.38 o 2 -2 1 1878.02 1920.94 9.08 o 3 -2 1 73.06 93.77 2.18 o 4 -2 1 2379.07 2559.26 42.21 o 5 -2 1 101.72 106.19 3.59 o 6 -2 1 633.25 612.94 9.73 o 7 -2 1 193.67 214.94 6.30 o 8 -2 1 75.19 70.20 5.52 o -8 -1 1 1.76 5.56 2.41 o -7 -1 1 297.46 322.26 11.63 o -6 -1 1 552.09 563.90 19.11 o -5 -1 1 1708.47 1687.47 16.31 o -4 -1 1 1130.85 1237.24 14.76 o -3 -1 1 1162.78 1196.13 16.25 o -2 -1 1 3468.45 3372.65 63.55 o -1 -1 1 483.05 542.82 4.15 o 0 -1 1 4529.99 4380.61 20.85 o 1 -1 1 1869.62 1916.71 7.76 o 2 -1 1 3653.84 3952.15 38.81 o 3 -1 1 616.94 697.76 6.10 o 4 -1 1 504.21 502.24 5.74 o 5 -1 1 326.49 332.21 5.12 o 6 -1 1 346.90 374.89 7.82 o 7 -1 1 253.17 248.29 6.88 o 8 -1 1 62.64 56.72 3.76 o -8 0 1 5.92 9.24 2.62 o -7 0 1 394.64 406.88 13.02 o -6 0 1 197.32 193.17 8.21 o -5 0 1 461.82 488.67 11.52 o -4 0 1 2071.28 2196.23 29.07 o -3 0 1 432.59 437.28 6.05 o -2 0 1 4361.49 4161.11 26.65 o -1 0 1 717.98 751.73 7.46 o 0 0 1 8016.60 6422.35 35.65 o 1 0 1 430.34 421.78 13.89 o 2 0 1 5702.90 6078.22 256.62 o 3 0 1 2080.37 2282.90 31.17 o 4 0 1 1222.62 1348.71 13.74 o 5 0 1 601.58 549.87 8.61 o 6 0 1 555.58 578.48 9.97 o 7 0 1 262.28 288.19 14.93 o 8 0 1 50.86 53.28 3.79 o -8 1 1 61.50 58.65 5.37 o -7 1 1 147.07 152.36 7.71 o -6 1 1 477.35 503.32 13.25 o -5 1 1 418.74 447.54 11.01 o -4 1 1 744.53 786.05 13.27 o -3 1 1 28.41 27.20 2.26 o -2 1 1 5540.20 5722.52 32.20 o -1 1 1 134.80 151.72 3.22 o 0 1 1 4170.83 4145.79 21.12 o 1 1 1 6156.18 6456.16 24.64 o 2 1 1 642.34 770.12 8.80 o 3 1 1 3044.70 3237.98 23.64 o 4 1 1 1271.83 1384.38 26.35 o 5 1 1 542.10 609.69 9.30 o 6 1 1 74.33 75.02 3.83 o 7 1 1 457.19 476.92 10.21 o 8 1 1 0.77 1.59 1.48 o -8 2 1 189.61 190.81 9.30 o -7 2 1 17.71 15.33 2.83 o -6 2 1 1013.87 1061.87 19.21 o -5 2 1 44.92 38.24 3.31 o -4 2 1 2962.57 3022.49 27.29 o -3 2 1 133.34 153.29 5.04 o -2 2 1 7980.48 8128.73 41.31 o -1 2 1 2529.07 2668.87 18.16 o 0 2 1 8064.80 7326.88 32.93 o 1 2 1 10577.56 10471.97 30.98 o 2 2 1 5318.58 5555.88 73.44 o 3 2 1 1169.36 1227.50 10.90 o 4 2 1 137.37 139.24 21.67 o 5 2 1 2111.93 2232.77 55.03 o 6 2 1 0.01 0.65 1.00 o 7 2 1 319.53 337.41 22.56 o 8 2 1 10.87 12.15 2.50 o -8 3 1 264.02 232.39 10.33 o -7 3 1 77.86 63.64 5.11 o -6 3 1 272.42 256.23 9.13 o -5 3 1 1.61 0.94 1.00 o -4 3 1 1496.18 1483.85 18.78 o -3 3 1 174.52 134.62 4.78 o -2 3 1 2745.87 2719.10 21.56 o -1 3 1 1216.32 1292.21 13.68 o 0 3 1 1093.80 994.64 10.71 o 1 3 1 1856.06 1811.60 31.54 o 2 3 1 2648.74 2756.72 38.44 o 3 3 1 5441.16 5812.51 46.59 o 4 3 1 0.29 0.18 0.71 o 5 3 1 798.20 840.17 11.66 o 6 3 1 5.70 5.50 1.73 o 7 3 1 476.64 485.03 14.29 o -7 4 1 0.82 2.36 1.57 o -6 4 1 600.93 570.93 14.15 o -5 4 1 207.65 189.53 7.63 o -4 4 1 1237.04 1343.97 19.71 o -3 4 1 677.23 638.14 11.79 o -2 4 1 1672.43 1678.31 18.49 o -1 4 1 1075.24 1066.57 13.39 o 0 4 1 1073.11 1098.18 41.96 o 1 4 1 1828.19 1832.54 11.67 o 2 4 1 428.24 438.40 17.26 o 3 4 1 1759.26 1758.02 14.61 o 4 4 1 89.20 81.67 4.06 o 5 4 1 724.54 774.88 15.64 o 6 4 1 9.76 8.53 1.74 o 7 4 1 90.60 93.47 4.89 o -7 5 1 1.90 6.45 2.10 o -6 5 1 506.91 526.98 14.13 o -5 5 1 497.67 463.33 11.95 o -4 5 1 931.98 938.03 16.60 o -3 5 1 203.93 214.66 7.48 o -2 5 1 309.26 288.13 8.33 o -1 5 1 1945.20 1999.01 20.85 o 0 5 1 875.05 895.32 14.42 o 1 5 1 2955.96 2876.66 36.22 o 2 5 1 52.26 48.61 2.36 o 3 5 1 437.88 424.22 8.88 o 4 5 1 48.03 52.55 3.08 o 5 5 1 916.40 855.67 12.58 o 6 5 1 87.64 88.19 4.56 o 7 5 1 105.69 118.66 6.27 o -6 6 1 304.56 280.24 10.93 o -5 6 1 95.76 95.46 6.43 o -4 6 1 123.20 117.49 6.38 o -3 6 1 631.44 591.64 13.40 o -2 6 1 33.88 31.90 3.15 o -1 6 1 1051.71 967.84 15.54 o 0 6 1 29.70 21.08 2.47 o 1 6 1 190.20 198.50 7.26 o 2 6 1 299.13 252.66 8.04 o 3 6 1 416.35 414.52 11.12 o 4 6 1 13.98 18.64 2.94 o 5 6 1 119.18 120.53 5.01 o 6 6 1 142.43 153.47 6.17 o -5 7 1 188.02 178.10 8.67 o -3 7 1 1190.22 1118.69 20.54 o -2 7 1 14.89 13.91 2.73 o -1 7 1 731.94 698.84 14.36 o 0 7 1 108.10 84.96 5.01 o 1 7 1 412.40 357.71 10.21 o 2 7 1 34.19 37.42 3.63 o 3 7 1 373.67 381.83 11.72 o 4 7 1 295.18 262.88 10.25 o 5 7 1 12.12 15.12 3.31 o -4 8 1 27.71 23.37 3.62 o -3 8 1 351.63 357.90 12.50 o -2 8 1 0.01 2.73 1.78 o -1 8 1 355.77 343.38 11.34 o 0 8 1 115.02 107.35 6.12 o 1 8 1 265.62 306.21 11.19 o 2 8 1 199.21 188.66 8.67 o 3 8 1 141.97 130.74 7.44 o 4 8 1 85.37 76.80 6.16 o -2 9 1 1.39 2.83 2.20 o -1 9 1 255.84 240.62 10.23 o 0 9 1 168.24 167.34 8.40 o 1 9 1 185.12 168.92 8.35 o 2 9 1 176.13 163.72 8.61 o -2 -9 2 34.66 43.24 4.68 o -1 -9 2 31.62 24.64 3.42 o 0 -9 2 140.24 135.46 7.39 o 1 -9 2 293.06 288.83 7.90 o 2 -9 2 0.16 1.15 1.21 o 3 -9 2 152.58 160.71 8.92 o -4 -8 2 51.63 46.16 4.84 o -3 -8 2 144.12 135.76 7.75 o -2 -8 2 171.48 147.87 7.55 o -1 -8 2 275.54 271.19 10.08 o 0 -8 2 6.03 5.67 1.42 o 1 -8 2 456.00 464.53 9.41 o 2 -8 2 0.04 0.37 0.94 o 3 -8 2 337.98 328.42 19.72 o 4 -8 2 34.03 37.21 3.29 o -5 -7 2 222.47 206.34 10.21 o -4 -7 2 89.45 84.68 6.11 o -3 -7 2 163.19 144.18 7.34 o -2 -7 2 34.21 32.48 3.47 o -1 -7 2 885.06 842.04 16.14 o 0 -7 2 101.24 101.95 4.06 o 1 -7 2 319.53 304.11 6.97 o 2 -7 2 8.44 7.35 1.47 o 3 -7 2 308.90 323.31 7.85 o 4 -7 2 171.79 169.26 9.96 o 5 -7 2 95.57 88.99 4.41 o -6 -6 2 100.73 101.02 7.58 o -5 -6 2 348.54 367.98 12.77 o -4 -6 2 33.05 38.47 4.21 o -3 -6 2 1245.33 1250.09 20.45 o -2 -6 2 133.39 116.94 5.76 o -1 -6 2 1210.44 1221.11 12.41 o 0 -6 2 254.29 235.96 5.53 o 1 -6 2 1236.24 1199.12 12.76 o 2 -6 2 447.76 427.82 7.77 o 3 -6 2 176.25 162.96 6.45 o 4 -6 2 951.57 989.53 20.61 o 5 -6 2 212.97 221.24 6.73 o 6 -6 2 209.56 213.97 10.21 o -6 -5 2 137.73 141.55 8.60 o -5 -5 2 488.58 449.75 13.82 o -4 -5 2 144.62 145.39 7.19 o -3 -5 2 1129.52 1125.99 17.91 o -2 -5 2 296.01 302.65 8.59 o -1 -5 2 1802.55 1750.13 13.82 o 0 -5 2 33.05 23.50 1.74 o 1 -5 2 793.34 788.01 9.39 o 2 -5 2 2246.33 2067.40 27.85 o 3 -5 2 645.83 597.33 8.80 o 4 -5 2 399.99 360.48 7.31 o 5 -5 2 32.71 22.09 2.18 o 6 -5 2 398.95 387.49 12.95 o 7 -5 2 0.03 2.31 1.57 o -7 -4 2 306.63 335.66 12.95 o -6 -4 2 1.22 1.15 1.42 o -4 -4 2 44.90 38.40 3.68 o -3 -4 2 1653.83 1688.27 21.26 o -2 -4 2 147.28 124.39 3.23 o -1 -4 2 2126.07 2028.06 14.31 o 0 -4 2 2840.85 2700.60 17.86 o 1 -4 2 1205.24 1179.30 10.34 o 2 -4 2 1794.56 1880.93 20.26 o 3 -4 2 66.75 76.05 2.94 o 4 -4 2 1028.87 1108.90 36.40 o 5 -4 2 5.60 3.12 1.06 o 6 -4 2 417.76 416.40 8.44 o -7 -3 2 392.64 476.68 15.66 o -6 -3 2 1.22 7.03 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