#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/29/2232991.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_2232991_Fobs loop_ _publ_author_name 'Moon, Suk-Hee' 'Kim, Tae Ho' 'Park, Ki-Min' _publ_section_title ; Bis[\m-N-(pyridin-2-ylmethyl)pyridin-2-amine-\k^2^N:N']disilver(I) bis(trifluoromethanesulfonate) ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1769 _journal_page_last m1770 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 108.489 _cell_angle_beta 92.826 _cell_angle_gamma 116.606 _cell_length_a 8.4105 _cell_length_b 9.3500 _cell_length_c 11.1693 _exptl_crystal_F_000 436.00 _reflns_d_resolution_high 0.8108 _[local]_cod_data_source_file wm2556Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2N2AgOTs in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 157.83 _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 0 877.43 909.18 12.09 o 2 0 0 8882.99 8409.63 284.36 o 3 0 0 212.48 267.89 4.86 o 4 0 0 4030.69 4027.53 52.14 o 5 0 0 2017.66 2082.93 46.73 o 6 0 0 2228.92 2199.60 38.39 o 7 0 0 917.50 908.85 15.26 o 8 0 0 393.52 374.06 8.75 o 9 0 0 448.23 413.75 14.92 o -9 1 0 335.95 344.25 8.52 o -8 1 0 548.85 549.88 10.95 o -7 1 0 317.09 331.54 9.18 o -6 1 0 1691.25 1651.08 23.65 o -5 1 0 222.97 220.10 4.90 o -4 1 0 2062.26 1959.64 26.32 o -3 1 0 342.19 327.92 5.84 o -2 1 0 8813.33 8736.02 293.12 o 0 1 0 9507.20 8325.49 151.26 o 1 1 0 3277.97 3171.16 39.48 o 2 1 0 2852.11 2762.20 28.86 o 3 1 0 1265.95 1307.04 14.39 o 4 1 0 2497.43 2520.78 33.78 o 5 1 0 3390.71 3357.36 44.77 o 6 1 0 339.98 331.43 7.30 o 7 1 0 1684.28 1644.86 24.93 o 8 1 0 94.12 94.51 6.05 o -9 2 0 4.28 6.40 2.15 o -8 2 0 364.56 385.42 8.44 o -7 2 0 168.37 163.76 4.75 o -6 2 0 53.84 52.25 4.80 o -5 2 0 8.48 5.60 1.67 o -4 2 0 5812.63 5803.73 103.06 o -3 2 0 4058.40 4523.01 57.60 o -2 2 0 19822.21 17874.38 505.61 o -1 2 0 760.43 884.60 11.95 o 0 2 0 2172.19 2177.24 39.43 o 1 2 0 558.74 535.98 7.74 o 2 2 0 882.84 862.70 9.86 o 3 2 0 4116.75 4262.23 44.30 o 4 2 0 70.36 81.63 3.02 o 5 2 0 803.16 755.23 17.94 o 6 2 0 325.67 320.75 7.45 o 7 2 0 1092.40 1083.40 25.66 o -10 3 0 252.98 268.92 11.89 o -9 3 0 147.26 158.35 8.55 o -8 3 0 292.37 279.98 10.85 o -7 3 0 304.38 306.42 8.87 o -6 3 0 21.68 27.94 1.96 o -5 3 0 1660.53 1724.08 23.68 o -4 3 0 238.01 233.12 4.24 o -3 3 0 5875.38 5952.47 87.42 o -2 3 0 68.05 68.97 1.88 o -1 3 0 3279.25 3249.54 41.45 o 0 3 0 87.69 108.06 2.43 o 1 3 0 5317.34 5432.61 67.77 o 2 3 0 76.71 93.14 2.64 o 3 3 0 4853.22 4904.79 62.07 o 4 3 0 57.99 57.16 3.96 o 6 3 0 4.67 4.17 2.71 o 7 3 0 370.08 366.35 12.73 o -10 4 0 161.79 150.42 8.97 o -9 4 0 647.47 612.95 18.36 o -8 4 0 243.12 232.83 9.81 o -7 4 0 1297.35 1284.10 29.00 o -6 4 0 54.73 51.32 4.80 o -5 4 0 4738.25 4995.80 42.30 o -4 4 0 94.05 148.33 5.84 o -3 4 0 2657.36 2543.17 47.98 o -2 4 0 910.41 1035.28 14.06 o -1 4 0 3107.62 3160.76 40.49 o 0 4 0 1453.79 1485.03 19.92 o 1 4 0 916.38 911.72 32.55 o 2 4 0 819.41 824.99 12.37 o 3 4 0 907.10 968.45 21.49 o 4 4 0 426.12 427.27 12.31 o 5 4 0 127.98 153.97 7.30 o 6 4 0 82.72 90.13 6.05 o -10 5 0 82.08 91.38 7.30 o -9 5 0 778.62 809.68 22.11 o -8 5 0 119.67 122.05 7.30 o -7 5 0 1072.52 1072.76 25.45 o -6 5 0 35.86 47.15 4.80 o -5 5 0 3052.08 3112.72 59.88 o -4 5 0 1073.53 1078.81 23.16 o -3 5 0 854.20 773.17 16.90 o -2 5 0 1518.33 1502.65 20.18 o -1 5 0 2157.86 2198.89 23.65 o 0 5 0 4855.33 4874.07 50.62 o 1 5 0 498.98 530.85 8.92 o 2 5 0 1039.42 1045.02 15.62 o 3 5 0 9.54 8.76 2.50 o 4 5 0 1122.48 1048.98 24.41 o 5 5 0 88.92 84.29 5.84 o -10 6 0 17.32 13.14 4.59 o -9 6 0 900.90 896.89 24.20 o -8 6 0 18.87 17.52 4.17 o -7 6 0 2185.43 2215.06 31.11 o -6 6 0 866.06 822.62 20.45 o -5 6 0 769.79 710.38 17.52 o -4 6 0 1107.92 1122.62 24.20 o -3 6 0 1075.95 1104.27 23.16 o -2 6 0 4423.12 4510.01 47.05 o -1 6 0 0.89 1.76 0.83 o 0 6 0 4747.26 4805.17 73.02 o 1 6 0 0.10 0.93 1.30 o 2 6 0 1661.80 1591.60 48.19 o 3 6 0 78.99 80.11 5.22 o 4 6 0 771.31 772.76 20.24 o -10 7 0 12.89 13.14 4.59 o -9 7 0 402.82 409.74 14.60 o -8 7 0 400.43 386.80 13.56 o -7 7 0 244.32 247.49 6.41 o -6 7 0 775.72 755.11 16.38 o -5 7 0 257.72 238.88 8.76 o -4 7 0 1952.17 1989.56 27.88 o -3 7 0 776.36 799.03 12.91 o -2 7 0 4629.91 4525.74 58.56 o -1 7 0 42.33 46.52 3.76 o 0 7 0 2021.73 2075.74 28.77 o 1 7 0 441.11 445.64 8.78 o 2 7 0 1640.84 1586.61 33.80 o 3 7 0 178.26 176.71 8.14 o -9 8 0 99.29 104.11 7.72 o -8 8 0 199.45 196.45 6.21 o -7 8 0 290.00 315.06 7.69 o -6 8 0 600.58 572.14 13.14 o -5 8 0 7.10 10.69 1.85 o -4 8 0 1154.48 1145.39 53.10 o -3 8 0 2.94 1.88 2.09 o -2 8 0 2414.56 2299.08 45.06 o -1 8 0 75.19 88.46 5.22 o 0 8 0 443.18 424.35 12.52 o 1 8 0 188.43 200.91 8.14 o 2 8 0 444.72 429.56 13.35 o -9 9 0 47.84 47.15 6.26 o -8 9 0 20.07 21.96 3.06 o -7 9 0 5.96 7.82 2.49 o -6 9 0 423.49 406.39 9.06 o -5 9 0 5.68 8.21 5.32 o -4 9 0 225.25 222.81 8.76 o -3 9 0 146.58 156.68 7.30 o -2 9 0 13.88 17.32 3.13 o -1 9 0 764.11 775.26 19.82 o 0 9 0 166.91 162.10 7.72 o -8 10 0 16.17 23.11 3.86 o -7 10 0 195.10 182.55 6.24 o -6 10 0 118.58 122.67 6.88 o -5 10 0 458.10 431.02 13.77 o -4 10 0 6.47 1.67 2.71 o -3 10 0 138.02 142.70 7.51 o -2 10 0 39.18 46.94 5.01 o -1 10 0 285.46 271.42 10.85 o 4 -11 1 38.69 31.50 4.59 o 5 -11 1 1080.19 1108.23 26.91 o 6 -11 1 49.09 46.32 5.63 o 1 -10 1 938.26 918.59 22.95 o 2 -10 1 87.01 89.92 6.05 o 3 -10 1 572.82 614.83 17.11 o 4 -10 1 125.11 100.35 6.26 o 5 -10 1 508.86 517.40 15.23 o 6 -10 1 64.94 77.16 4.10 o 7 -10 1 968.01 947.59 24.83 o 8 -10 1 139.08 129.75 8.35 o 0 -9 1 5.20 13.56 3.13 o 1 -9 1 692.20 687.85 17.73 o 2 -9 1 506.40 503.42 14.19 o 3 -9 1 962.94 909.20 21.70 o 4 -9 1 143.65 146.38 7.30 o 5 -9 1 1083.92 1034.54 17.10 o 6 -9 1 231.52 214.61 7.30 o 7 -9 1 554.96 538.26 11.17 o 8 -9 1 183.48 200.03 6.41 o 9 -9 1 45.94 57.16 6.26 o -2 -8 1 0.46 0.21 2.50 o -1 -8 1 500.59 510.18 9.96 o 0 -8 1 303.61 304.18 9.81 o 1 -8 1 149.03 154.38 6.68 o 2 -8 1 214.71 204.05 5.30 o 3 -8 1 92.73 92.42 5.22 o 4 -8 1 582.65 564.96 14.81 o 5 -8 1 75.06 88.25 5.84 o 6 -8 1 275.37 259.74 10.01 o 7 -8 1 14.10 22.11 4.38 o 8 -8 1 374.96 390.76 13.98 o 9 -8 1 40.17 48.82 5.84 o -4 -7 1 194.47 185.47 8.97 o -3 -7 1 84.28 80.95 5.63 o -2 -7 1 613.59 566.42 15.23 o -1 -7 1 24.24 25.19 2.92 o 0 -7 1 2220.98 2286.31 31.05 o 1 -7 1 145.23 146.05 4.13 o 2 -7 1 1114.58 1079.44 22.95 o 3 -7 1 13.55 25.04 3.13 o 4 -7 1 993.93 973.87 21.91 o 5 -7 1 34.98 34.01 4.17 o 6 -7 1 1.76 3.55 3.13 o 7 -7 1 275.01 259.32 10.22 o 8 -7 1 217.37 214.89 10.01 o 9 -7 1 329.72 311.48 12.52 o 10 -7 1 81.15 66.13 6.68 o -5 -6 1 143.86 141.66 7.72 o -4 -6 1 852.93 801.76 20.65 o -3 -6 1 22.23 22.95 3.34 o -2 -6 1 1820.00 1840.82 25.73 o -1 -6 1 719.37 752.48 20.24 o 0 -6 1 4023.97 4037.30 42.59 o 1 -6 1 1683.21 1620.85 22.53 o 2 -6 1 2362.05 2432.13 54.66 o 3 -6 1 1164.04 1312.68 27.12 o 4 -6 1 987.15 972.20 21.49 o 5 -6 1 1665.43 1717.42 35.68 o 6 -6 1 1453.02 1481.46 32.34 o 7 -6 1 2430.83 2292.19 47.78 o 8 -6 1 29.52 32.34 5.01 o 9 -6 1 318.77 291.24 11.89 o 10 -6 1 0.25 0.00 3.55 o -5 -5 1 50.46 44.23 4.38 o -4 -5 1 1807.68 1766.87 36.93 o -3 -5 1 152.33 167.74 6.88 o -2 -5 1 2790.71 2709.99 57.48 o -1 -5 1 1804.51 1903.24 39.33 o 0 -5 1 3431.10 3601.33 65.51 o 1 -5 1 948.95 961.61 13.63 o 2 -5 1 1466.33 1432.87 19.28 o 3 -5 1 837.48 687.22 15.44 o 4 -5 1 726.29 792.58 18.15 o 5 -5 1 5181.77 5130.36 95.55 o 6 -5 1 12.70 11.06 3.13 o 7 -5 1 2411.70 2292.40 47.36 o 8 -5 1 3.48 4.59 3.13 o 9 -5 1 475.04 500.50 16.27 o 10 -5 1 240.05 259.32 12.10 o -6 -4 1 704.80 667.82 18.36 o -5 -4 1 2.55 2.71 2.29 o -4 -4 1 1635.94 1599.34 33.17 o -3 -4 1 776.35 780.27 17.94 o -2 -4 1 932.68 886.47 17.32 o 0 -4 1 1483.91 1490.23 28.16 o 1 -4 1 1267.38 1292.77 17.39 o 2 -4 1 2049.02 2211.45 37.03 o 3 -4 1 9105.73 8756.31 157.31 o 4 -4 1 215.33 242.71 2.91 o 5 -4 1 1314.17 1346.50 18.89 o 6 -4 1 6.01 11.13 2.40 o 7 -4 1 2472.07 2548.59 51.74 o 8 -4 1 469.78 490.48 15.23 o 9 -4 1 601.12 616.70 18.57 o 10 -4 1 235.89 254.53 11.68 o -7 -3 1 15.57 11.06 3.13 o -6 -3 1 756.61 727.07 18.78 o -5 -3 1 767.52 777.76 18.78 o -4 -3 1 212.68 218.43 7.51 o -3 -3 1 2140.07 2160.43 37.66 o -2 -3 1 3201.31 3489.76 44.31 o -1 -3 1 2893.77 2855.69 52.16 o 0 -3 1 0.49 9.18 1.04 o 1 -3 1 1088.38 1082.09 14.52 o 2 -3 1 5711.02 6001.59 108.07 o 3 -3 1 14865.37 14215.71 567.78 o 4 -3 1 244.72 256.04 4.70 o 5 -3 1 3193.96 3151.36 41.40 o 6 -3 1 1.46 3.41 1.26 o 7 -3 1 1761.98 1798.07 25.88 o 8 -3 1 1188.46 1176.24 28.16 o 9 -3 1 303.56 316.28 12.31 o -8 -2 1 12.89 14.81 3.76 o -7 -2 1 279.49 274.14 7.29 o -6 -2 1 123.15 122.36 6.47 o -5 -2 1 197.52 199.39 5.16 o -4 -2 1 3.82 8.55 1.33 o -3 -2 1 2111.66 2230.22 23.86 o -2 -2 1 176.74 212.57 4.13 o -1 -2 1 2546.87 2556.11 46.32 o 0 -2 1 864.79 870.60 16.27 o 1 -2 1 780.47 792.34 12.10 o 3 -2 1 1545.35 1708.40 22.62 o 4 -2 1 1516.17 1548.15 21.20 o 5 -2 1 1218.71 1213.30 19.61 o 6 -2 1 954.38 993.61 22.43 o 7 -2 1 81.52 96.41 3.66 o 8 -2 1 244.85 251.78 6.56 o 9 -2 1 8.68 11.57 2.31 o -8 -1 1 0.85 3.25 1.95 o -7 -1 1 348.32 355.18 8.18 o -6 -1 1 3.88 5.72 2.50 o -5 -1 1 2145.47 2163.47 30.01 o -4 -1 1 215.48 261.19 10.54 o -3 -1 1 718.96 691.62 12.00 o -2 -1 1 2069.62 2119.79 27.66 o -1 -1 1 1122.03 1212.35 16.08 o 0 -1 1 5380.81 4728.96 54.66 o 1 -1 1 1068.31 1064.63 20.03 o 2 -1 1 534.90 566.26 8.10 o 3 -1 1 12.71 17.39 1.98 o 4 -1 1 444.79 395.66 6.99 o 5 -1 1 9.35 10.23 1.45 o 6 -1 1 1274.71 1275.27 19.08 o 7 -1 1 229.03 235.16 6.88 o 8 -1 1 167.33 179.13 5.64 o 9 -1 1 8.36 3.99 2.82 o -9 0 1 240.22 250.55 10.22 o -8 0 1 361.18 357.39 8.46 o -7 0 1 1033.72 1009.68 16.57 o -6 0 1 2213.44 2131.97 29.94 o -5 0 1 562.35 574.58 19.92 o -4 0 1 1279.44 1330.06 18.73 o -3 0 1 1444.97 1499.64 20.27 o -2 0 1 7561.73 7451.21 93.82 o -1 0 1 337.69 344.05 3.79 o 0 0 1 6678.91 5806.94 106.19 o 1 0 1 2430.18 2479.63 25.97 o 2 0 1 4123.26 4028.82 51.26 o 3 0 1 422.32 404.07 6.63 o 4 0 1 2190.47 2277.53 46.21 o 5 0 1 1737.45 1718.88 24.26 o 6 0 1 285.96 278.60 7.82 o 7 0 1 470.66 455.52 9.43 o 8 0 1 48.53 52.48 3.30 o -9 1 1 226.01 236.99 6.89 o -8 1 1 514.70 496.64 11.79 o -7 1 1 1130.06 1127.60 17.82 o -6 1 1 2038.66 1990.45 41.52 o -5 1 1 91.23 132.06 3.65 o -4 1 1 4191.44 4134.71 43.19 o -3 1 1 11.90 13.27 1.59 o -2 1 1 17434.76 16551.07 214.49 o -1 1 1 4247.12 4056.70 52.22 o 0 1 1 636.87 700.15 13.35 o 1 1 1 1181.58 1231.78 13.25 o 2 1 1 7646.36 7431.87 75.82 o 3 1 1 2725.66 2812.57 29.66 o 4 1 1 894.93 937.47 14.16 o 5 1 1 1492.41 1396.73 20.51 o 6 1 1 474.12 463.69 9.15 o 7 1 1 1510.40 1433.69 31.29 o 8 1 1 0.10 2.71 2.71 o -9 2 1 158.78 156.08 5.95 o -8 2 1 671.94 652.93 12.09 o -7 2 1 808.83 803.57 13.36 o -6 2 1 3218.26 3118.65 75.00 o -5 2 1 219.79 261.12 4.15 o -4 2 1 6342.49 6186.46 46.88 o -3 2 1 179.02 208.01 3.01 o -2 2 1 5928.87 5787.68 73.54 o -1 2 1 483.75 453.14 9.81 o 0 2 1 8204.77 8184.86 90.58 o 1 2 1 3720.98 3643.27 45.94 o 2 2 1 1280.74 1309.93 14.49 o 3 2 1 2874.28 2813.54 40.77 o 4 2 1 518.48 512.85 9.00 o 5 2 1 1171.13 1139.26 18.88 o 6 2 1 22.47 25.66 3.55 o 7 2 1 1115.32 1090.50 26.08 o -10 3 1 291.58 347.16 13.56 o -9 3 1 105.58 100.56 6.88 o -8 3 1 552.30 541.18 16.06 o -7 3 1 67.78 62.32 1.83 o -6 3 1 2808.93 2846.06 24.97 o -5 3 1 148.93 162.20 2.10 o -4 3 1 1182.43 1202.34 13.45 o -3 3 1 967.37 985.76 11.10 o -2 3 1 224.64 173.71 2.67 o -1 3 1 140.47 135.44 2.24 o 0 3 1 4417.70 4590.73 47.29 o 1 3 1 3647.33 3631.85 46.09 o 2 3 1 7.64 7.15 1.18 o 3 3 1 2012.52 2009.48 27.11 o 4 3 1 22.22 31.71 3.34 o 5 3 1 2005.03 1905.19 39.43 o 6 3 1 131.75 136.65 7.09 o 7 3 1 486.52 472.33 15.23 o -10 4 1 98.85 104.31 7.72 o -9 4 1 50.19 47.36 5.01 o -8 4 1 280.41 287.49 11.06 o -7 4 1 27.36 29.21 3.96 o -6 4 1 751.37 742.18 11.82 o -5 4 1 626.43 644.41 8.10 o -4 4 1 232.70 267.33 5.62 o -3 4 1 1441.38 1445.84 15.92 o -2 4 1 182.19 186.42 2.98 o -1 4 1 2467.10 2634.48 27.78 o 0 4 1 533.84 596.32 15.01 o 1 4 1 2671.13 2676.54 34.95 o 2 4 1 6.64 9.38 2.19 o 3 4 1 74.74 85.12 4.80 o 4 4 1 189.42 196.74 7.93 o 5 4 1 936.54 916.29 22.74 o 6 4 1 271.37 266.63 10.64 o -10 5 1 13.23 18.57 4.38 o -9 5 1 265.58 279.35 11.68 o -8 5 1 35.70 35.05 4.17 o -7 5 1 1164.99 1102.39 25.87 o -6 5 1 423.85 443.93 8.40 o -5 5 1 1018.53 1056.91 15.90 o -4 5 1 27.69 38.33 2.29 o -3 5 1 3310.33 3300.75 34.76 o -2 5 1 601.93 663.32 10.45 o -1 5 1 1046.89 1064.83 12.32 o 0 5 1 259.81 284.33 5.50 o 1 5 1 1274.48 1273.94 18.36 o 2 5 1 69.61 73.17 3.09 o 3 5 1 800.39 767.96 18.99 o 4 5 1 473.53 477.34 14.19 o 5 5 1 86.56 78.44 5.84 o -10 6 1 2.84 2.92 3.76 o -9 6 1 446.65 463.99 15.44 o -8 6 1 79.58 84.29 6.26 o -7 6 1 718.09 704.31 12.24 o -6 6 1 354.64 350.56 7.54 o -5 6 1 947.78 990.93 19.72 o -4 6 1 575.66 591.00 10.18 o -3 6 1 2234.57 2364.63 31.86 o -2 6 1 1543.52 1534.84 17.29 o -1 6 1 353.87 372.13 18.15 o 0 6 1 2.67 6.55 1.54 o 1 6 1 142.85 158.76 8.03 o 2 6 1 2108.50 1956.51 39.85 o 3 6 1 7.35 7.09 2.71 o 4 6 1 647.36 675.54 18.78 o -10 7 1 38.20 44.02 5.63 o -9 7 1 630.86 620.25 18.78 o -8 7 1 522.66 523.45 16.27 o -7 7 1 725.28 740.47 13.07 o -6 7 1 642.65 671.96 12.01 o -5 7 1 730.47 706.43 12.23 o -4 7 1 2483.25 2576.34 50.07 o -3 7 1 43.48 45.73 2.80 o -2 7 1 863.39 885.42 20.24 o -1 7 1 201.77 198.82 7.72 o 0 7 1 1223.85 1214.49 18.37 o 1 7 1 127.72 130.99 4.50 o 2 7 1 888.88 905.24 22.11 o 3 7 1 214.54 216.35 9.18 o -9 8 1 535.59 527.20 17.11 o -8 8 1 725.06 719.87 13.43 o -7 8 1 406.68 405.18 8.97 o -6 8 1 2410.69 2353.83 80.53 o -5 8 1 144.46 151.74 5.01 o -4 8 1 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