#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:16:52 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180775 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/06/2010654.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_2010654_Fobs loop_ _publ_author_name 'Kristiansson, Olof' _publ_section_title ; Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 165 _journal_page_last 167 _journal_volume 56 _journal_year 2000 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 95.084 _cell_angle_gamma 90.000 _cell_length_a 7.2661 _cell_length_b 12.2749 _cell_length_c 14.8026 _exptl_crystal_F_000 712.00 _reflns_d_resolution_high 0.7571 _cod_data_source_file os1082Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ag53m in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 197.83 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 2 0 0 26942.81 26204.95 521.47 o 4 0 0 13350.06 13493.28 170.38 o 6 0 0 2984.54 3206.96 178.55 o 8 0 0 490.49 487.38 47.36 o 1 1 0 26684.02 25046.83 394.16 o 3 1 0 1888.08 2281.63 78.85 o 5 1 0 3406.72 3532.32 56.82 o 7 1 0 95.24 91.68 19.31 o 9 1 0 42.78 50.69 23.09 o 0 2 0 2067.96 2427.55 39.64 o 2 2 0 2770.85 2945.76 57.37 o 4 2 0 1248.02 1323.22 25.38 o 6 2 0 0.90 18.41 38.51 o 8 2 0 1.85 25.94 19.84 o 1 3 0 21665.72 22056.37 205.92 o 3 3 0 6898.86 7401.26 107.34 o 5 3 0 1912.49 1798.67 48.03 o 7 3 0 170.27 172.34 25.54 o 9 3 0 2.29 10.53 23.60 o 0 4 0 38601.82 49149.45 299.09 o 2 4 0 7882.92 8065.94 147.02 o 4 4 0 1047.38 1055.22 39.59 o 6 4 0 1250.85 1214.18 45.29 o 8 4 0 117.47 139.70 27.84 o 1 5 0 11229.08 11788.34 324.49 o 3 5 0 587.15 920.65 50.91 o 5 5 0 739.22 834.86 36.95 o 7 5 0 181.85 183.75 25.85 o 9 5 0 26.25 21.47 44.28 o 0 6 0 212.49 250.47 28.77 o 2 6 0 510.24 480.13 27.65 o 4 6 0 910.67 939.37 26.06 o 6 6 0 74.11 92.05 20.91 o 8 6 0 5.62 16.62 29.33 o 1 7 0 224.28 253.05 23.82 o 3 7 0 160.20 413.84 48.46 o 5 7 0 29.56 70.55 19.17 o 7 7 0 2.64 7.45 25.72 o 0 8 0 2344.26 2554.73 83.23 o 2 8 0 1203.42 1249.23 46.70 o 4 8 0 99.88 95.07 17.26 o 6 8 0 217.93 226.33 34.39 o 1 9 0 2522.51 2517.12 63.84 o 3 9 0 382.10 396.13 23.33 o 5 9 0 67.84 107.75 27.92 o 7 9 0 99.11 112.14 35.58 o 0 10 0 967.69 956.72 58.65 o 2 10 0 2769.83 2678.32 53.14 o 4 10 0 408.06 447.01 32.06 o 6 10 0 190.28 229.11 36.81 o 1 11 0 14.18 14.91 14.47 o 3 11 0 369.21 357.27 30.12 o 5 11 0 1.77 3.24 25.75 o 0 12 0 888.48 927.96 49.72 o 2 12 0 1.18 1.00 16.75 o 4 12 0 102.21 101.26 23.73 o 6 12 0 10.09 31.69 44.10 o 1 13 0 571.92 538.99 43.98 o 3 13 0 44.94 58.67 21.05 o 5 13 0 81.33 106.43 33.61 o 0 14 0 229.74 245.41 50.76 o 2 14 0 59.94 56.52 24.13 o 4 14 0 49.83 63.35 34.45 o 1 15 0 6.20 2.52 23.13 o 3 15 0 5.06 4.52 24.81 o -9 1 1 52.21 50.66 22.19 o -7 1 1 326.48 285.92 25.21 o -5 1 1 2097.68 2009.51 43.86 o -3 1 1 12926.24 12351.67 176.02 o -1 1 1 17084.42 16220.08 105.84 o 1 1 1 148.22 155.74 4.96 o 3 1 1 9785.60 9813.09 95.33 o 5 1 1 572.09 558.42 26.02 o 7 1 1 18.76 14.33 16.51 o 9 1 1 26.26 40.83 26.89 o -8 2 1 493.54 475.68 32.75 o -6 2 1 2051.90 2018.63 49.47 o -4 2 1 4414.92 4489.19 100.98 o 2 2 1 12967.14 12581.56 197.66 o 4 2 1 5727.78 5758.72 49.48 o 6 2 1 801.39 858.00 34.35 o 8 2 1 376.34 406.21 36.93 o -9 3 1 34.38 33.82 24.83 o -7 3 1 164.54 163.16 24.95 o -5 3 1 1231.72 1189.93 35.30 o -3 3 1 5430.90 5899.71 50.51 o -1 3 1 38869.70 45799.29 746.39 o 1 3 1 451.39 465.99 15.91 o 3 3 1 10289.55 10750.85 145.02 o 5 3 1 955.74 959.23 36.84 o 7 3 1 303.35 311.79 30.46 o 9 3 1 95.10 90.69 33.71 o -8 4 1 17.44 27.23 22.43 o -6 4 1 239.41 256.19 24.93 o -4 4 1 303.89 287.20 17.09 o -2 4 1 2091.91 2307.11 35.76 o 0 4 1 1334.73 1446.11 26.97 o 2 4 1 2230.45 2228.45 37.71 o 4 4 1 3263.62 3507.53 97.61 o 6 4 1 146.57 153.79 22.72 o 8 4 1 53.09 85.57 24.60 o -9 5 1 1.31 0.00 40.36 o -7 5 1 60.96 40.63 19.83 o -5 5 1 5.38 0.00 15.84 o -3 5 1 7382.41 7351.15 109.62 o -1 5 1 51.22 55.33 10.74 o 1 5 1 843.77 874.79 25.18 o 3 5 1 825.55 1696.76 45.74 o 5 5 1 237.11 231.56 23.56 o 7 5 1 3.54 11.82 19.22 o -8 6 1 124.05 121.39 33.80 o -6 6 1 26.37 35.72 18.54 o -4 6 1 1580.58 1680.99 37.02 o -2 6 1 10420.01 10240.64 394.98 o 0 6 1 3652.38 4066.98 53.76 o 2 6 1 5070.72 5030.25 78.59 o 4 6 1 1661.90 1676.42 39.47 o 6 6 1 514.41 589.49 34.90 o 8 6 1 90.69 124.69 56.56 o -7 7 1 155.32 172.73 34.66 o -5 7 1 5.79 8.92 22.23 o -3 7 1 4624.23 4524.15 66.27 o -1 7 1 5393.68 5527.19 66.54 o 1 7 1 6887.43 7053.67 138.42 o 3 7 1 1341.49 1424.00 62.22 o 5 7 1 697.24 811.23 37.56 o 7 7 1 165.96 186.82 35.23 o -8 8 1 44.62 33.16 39.64 o -6 8 1 95.77 124.92 30.92 o -4 8 1 1136.92 1204.23 50.11 o -2 8 1 1104.29 1057.35 33.44 o 0 8 1 808.72 806.65 29.88 o 2 8 1 1400.42 1402.40 41.07 o 4 8 1 362.08 416.13 25.43 o 6 8 1 97.47 131.92 31.22 o -7 9 1 39.69 43.72 31.00 o -5 9 1 122.42 112.67 28.07 o -3 9 1 76.23 81.81 22.42 o -1 9 1 0.09 0.00 13.64 o 1 9 1 564.98 546.05 29.45 o 3 9 1 42.23 63.53 19.55 o 5 9 1 16.00 18.18 23.51 o 7 9 1 3.84 7.69 43.95 o -6 10 1 14.07 30.59 28.07 o -4 10 1 171.76 197.82 26.26 o -2 10 1 1382.99 1294.31 53.98 o 0 10 1 219.93 267.99 23.49 o 2 10 1 355.77 353.78 27.48 o 4 10 1 384.18 398.27 31.26 o 6 10 1 10.40 13.78 39.73 o -7 11 1 44.06 27.30 41.30 o -5 11 1 28.82 35.96 25.29 o -3 11 1 547.18 599.47 36.76 o -1 11 1 740.23 716.68 41.95 o 1 11 1 193.09 204.24 22.29 o 3 11 1 60.83 82.83 26.69 o 5 11 1 9.78 28.65 25.72 o -6 12 1 41.71 59.40 32.66 o -4 12 1 306.32 308.30 32.17 o -2 12 1 453.93 434.10 40.33 o 0 12 1 486.62 455.04 37.06 o 2 12 1 327.61 334.76 36.95 o 4 12 1 58.23 74.67 22.10 o 6 12 1 22.65 38.84 44.82 o -5 13 1 4.90 21.42 27.66 o -3 13 1 20.98 30.17 19.44 o -1 13 1 25.89 11.24 18.66 o 1 13 1 163.58 124.54 28.88 o 3 13 1 0.18 4.21 19.50 o 5 13 1 17.60 23.22 43.10 o -4 14 1 0.94 10.14 31.11 o -2 14 1 113.90 120.63 24.90 o 0 14 1 1.74 0.00 19.31 o 2 14 1 11.28 0.00 22.18 o 4 14 1 9.67 12.66 44.28 o -3 15 1 10.68 21.74 29.21 o -1 15 1 181.44 166.45 33.20 o 1 15 1 2.77 0.00 22.17 o 3 15 1 38.45 41.02 28.53 o -8 0 2 171.94 159.01 34.36 o -6 0 2 1907.83 2026.18 69.81 o -4 0 2 6405.63 6197.48 153.71 o -2 0 2 32513.42 32615.60 213.63 o 0 0 2 16669.92 16749.31 209.82 o 2 0 2 20881.81 19175.44 86.18 o 4 0 2 1070.18 872.79 35.74 o 6 0 2 2488.03 2481.65 75.50 o 8 0 2 613.91 617.92 51.33 o -9 1 2 3.78 6.32 20.52 o -7 1 2 253.16 229.35 23.86 o -5 1 2 1970.59 2019.38 44.05 o -3 1 2 7725.46 8177.29 49.72 o -1 1 2 13.54 15.79 3.64 o 1 1 2 3437.21 3391.88 36.02 o 3 1 2 3180.35 3046.14 71.39 o 5 1 2 437.32 399.56 22.72 o 7 1 2 308.16 305.12 25.61 o 9 1 2 78.91 95.76 34.87 o -8 2 2 7.11 31.89 19.73 o -6 2 2 683.40 702.76 31.91 o -4 2 2 1045.68 1050.56 21.11 o -2 2 2 18254.15 18615.07 71.15 o 0 2 2 1190.50 1302.59 24.50 o 2 2 2 11253.51 11866.23 129.70 o 4 2 2 1483.10 1524.15 30.70 o 6 2 2 180.44 194.41 24.10 o 8 2 2 11.16 36.38 22.46 o -9 3 2 10.92 0.00 28.74 o -7 3 2 7.97 15.42 16.65 o -5 3 2 2056.52 2097.99 64.45 o -3 3 2 2142.46 2656.17 80.84 o -1 3 2 2474.50 2649.47 66.15 o 1 3 2 3617.47 3403.96 37.90 o 3 3 2 1015.12 1263.86 29.53 o 5 3 2 399.67 381.77 25.99 o 7 3 2 39.19 46.34 20.92 o 9 3 2 26.35 34.46 42.43 o -8 4 2 154.70 150.07 33.74 o -6 4 2 774.59 823.66 39.25 o -4 4 2 10865.13 10991.62 87.29 o -2 4 2 6561.25 6804.21 189.36 o 0 4 2 26857.31 27726.93 336.36 o 2 4 2 6327.39 5974.89 61.11 o 4 4 2 1196.10 1209.24 34.10 o 6 4 2 1123.52 1174.05 45.70 o 8 4 2 315.63 332.84 42.83 o -9 5 2 65.40 64.18 48.38 o -7 5 2 277.91 262.89 34.48 o -5 5 2 3142.07 3184.51 69.56 o -3 5 2 13921.84 14500.35 241.76 o -1 5 2 16132.72 16782.90 257.66 o 1 5 2 20808.94 22234.32 278.77 o 3 5 2 3753.22 3893.97 49.49 o 5 5 2 1344.54 1373.66 52.60 o 7 5 2 547.43 561.90 39.17 o -8 6 2 20.15 30.77 29.12 o -6 6 2 360.86 372.29 40.86 o -4 6 2 1555.12 1610.03 45.29 o -2 6 2 2371.38 2293.10 95.00 o 0 6 2 759.75 807.27 25.47 o 2 6 2 2631.67 2957.95 51.69 o 4 6 2 1228.48 1247.26 34.35 o 6 6 2 173.74 205.17 25.54 o 8 6 2 29.94 43.51 29.54 o -7 7 2 18.33 18.76 26.15 o -5 7 2 509.46 478.01 40.20 o -3 7 2 194.60 221.54 19.83 o -1 7 2 104.46 90.03 14.35 o 1 7 2 539.63 498.21 24.38 o 3 7 2 0.86 153.82 30.24 o 5 7 2 1.90 1.86 16.10 o 7 7 2 0.63 6.04 24.76 o -8 8 2 32.71 33.62 40.52 o -6 8 2 235.81 271.12 37.49 o -4 8 2 4606.41 4672.67 96.19 o -2 8 2 1291.33 1349.18 37.12 o 0 8 2 5153.43 5296.48 270.26 o 2 8 2 2473.94 2645.38 92.40 o 4 8 2 767.69 782.80 30.74 o 6 8 2 233.08 266.56 35.27 o -7 9 2 0.66 3.35 30.00 o -5 9 2 568.06 570.73 45.57 o -3 9 2 811.95 815.47 44.24 o -1 9 2 1136.30 1115.06 35.91 o 1 9 2 1744.79 1835.38 47.33 o 3 9 2 58.73 85.13 19.67 o 5 9 2 168.26 187.77 24.63 o 7 9 2 146.90 172.17 58.41 o -6 10 2 3.31 20.02 27.71 o -4 10 2 570.51 566.46 41.29 o -2 10 2 63.38 44.17 19.70 o 0 10 2 845.24 867.32 35.40 o 2 10 2 148.47 162.22 21.65 o 4 10 2 270.35 269.52 26.90 o 6 10 2 71.36 98.01 49.39 o -7 11 2 0.67 5.83 39.74 o -5 11 2 0.51 0.00 23.18 o -3 11 2 29.74 23.28 22.19 o -1 11 2 15.75 6.32 19.27 o 1 11 2 5.08 2.47 14.56 o 3 11 2 0.23 0.00 17.72 o 5 11 2 33.53 24.16 35.88 o -6 12 2 15.38 28.67 29.56 o -4 12 2 37.19 40.04 20.84 o -2 12 2 30.27 27.67 21.23 o 0 12 2 58.48 27.48 20.28 o 2 12 2 115.96 122.00 28.50 o 4 12 2 4.12 4.87 18.54 o 6 12 2 2.45 4.27 40.84 o -5 13 2 5.95 27.45 29.26 o -3 13 2 54.51 71.63 22.70 o -1 13 2 5.17 11.94 19.74 o 1 13 2 13.81 21.51 23.21 o 3 13 2 3.32 4.61 22.75 o 5 13 2 0.37 21.75 38.98 o -4 14 2 20.25 33.42 22.64 o -2 14 2 141.92 148.85 26.99 o 0 14 2 39.64 41.94 33.98 o 2 14 2 60.58 61.45 27.51 o 4 14 2 6.96 25.04 40.84 o -3 15 2 29.47 34.23 22.27 o -1 15 2 83.31 74.38 28.07 o 1 15 2 22.20 16.94 24.75 o 3 15 2 26.82 27.62 27.15 o -9 1 3 5.19 6.69 20.87 o -7 1 3 246.48 239.53 24.02 o -5 1 3 1390.57 1298.04 36.03 o -3 1 3 1717.86 1755.93 27.48 o -1 1 3 1358.74 1265.52 21.67 o 1 1 3 1461.24 1439.50 14.65 o 3 1 3 5408.82 5211.19 74.49 o 5 1 3 1494.38 1522.60 37.78 o 7 1 3 183.64 182.14 26.37 o 9 1 3 26.40 27.68 42.53 o -8 2 3 335.73 371.73 31.24 o -6 2 3 1901.27 1920.62 48.14 o -4 2 3 3746.34 3645.92 68.00 o -2 2 3 27257.17 26790.00 150.73 o 0 2 3 30300.61 30780.25 237.06 o 2 2 3 4978.03 4595.18 54.42 o 4 2 3 5424.68 5322.92 57.22 o 6 2 3 2624.02 2654.99 99.58 o 8 2 3 446.22 479.69 48.46 o -9 3 3 30.10 26.18 32.60 o -7 3 3 1013.56 991.09 40.06 o -5 3 3 1897.16 1932.51 62.52 o -3 3 3 7834.47 7944.74 87.88 o -1 3 3 7317.21 7343.43 161.48 o 1 3 3 5466.51 5776.95 51.80 o 3 3 3 2434.28 2499.93 60.44 o 5 3 3 1705.26 1793.45 48.16 o 7 3 3 426.71 426.32 33.13 o -8 4 3 191.46 185.24 36.61 o -6 4 3 423.45 429.43 30.78 o -4 4 3 3794.96 3903.92 49.32 o -2 4 3 2004.80 2018.28 31.68 o 0 4 3 765.01 795.70 19.17 o 2 4 3 4982.33 5050.15 66.88 o 4 4 3 1113.36 1063.25 29.46 o 6 4 3 110.65 134.92 22.10 o 8 4 3 32.84 58.20 30.32 o -7 5 3 10.75 14.93 25.46 o -5 5 3 1087.47 1046.88 52.35 o -3 5 3 329.20 548.81 22.92 o -1 5 3 1953.12 2108.33 66.19 o 1 5 3 146.14 183.68 14.38 o 3 5 3 961.70 1124.27 28.42 o 5 5 3 90.08 97.73 19.56 o 7 5 3 20.15 24.41 25.32 o -8 6 3 87.87 104.91 33.32 o -6 6 3 2260.26 2450.32 88.26 o -4 6 3 1444.38 1494.72 42.51 o -2 6 3 5425.94 5425.26 114.19 o 0 6 3 6448.96 6864.29 77.81 o 2 6 3 530.73 476.25 23.11 o 4 6 3 1734.20 1862.34 41.16 o 6 6 3 708.65 727.25 58.94 o 8 6 3 89.67 101.05 32.71 o -7 7 3 303.71 309.81 44.54 o -5 7 3 2191.47 2103.80 131.18 o -3 7 3 1346.15 1319.33 49.23 o -1 7 3 11049.23 11289.04 106.44 o 1 7 3 1581.10 1515.74 37.23 o 3 7 3 1225.58 1207.10 38.62 o 5 7 3 956.30 962.03 39.75 o 7 7 3 348.07 333.83 40.76 o -8 8 3 0.47 15.37 40.58 o -6 8 3 260.91 278.86 37.99 o -4 8 3 707.46 671.32 41.66 o -2 8 3 653.27 552.69 34.46 o 0 8 3 857.72 866.43 30.22 o 2 8 3 1197.72 1127.22 32.25 o 4 8 3 829.12 875.51 33.17 o 6 8 3 153.30 187.23 32.75 o -7 9 3 58.03 52.00 33.47 o -5 9 3 3.10 17.29 24.46 o -3 9 3 2.97 3.05 20.36 o -1 9 3 21.26 13.57 20.79 o 1 9 3 75.95 69.20 18.22 o 3 9 3 148.73 174.35 21.22 o 5 9 3 24.08 16.43 21.46 o 7 9 3 0.20 5.48 41.51 o -6 10 3 312.84 309.07 41.43 o -4 10 3 234.84 259.24 33.94 o -2 10 3 431.51 414.78 46.38 o 0 10 3 544.22 543.45 37.46 o 2 10 3 199.09 209.50 22.78 o 4 10 3 270.84 276.61 27.41 o 6 10 3 109.96 166.22 52.44 o -5 11 3 80.19 100.35 29.51 o -3 11 3 49.15 54.74 22.36 o -1 11 3 513.50 481.76 36.78 o 1 11 3 105.35 101.08 23.91 o 3 11 3 53.14 69.44 19.62 o 5 11 3 156.12 177.30 49.18 o -6 12 3 32.28 34.62 39.95 o -4 12 3 91.44 98.48 27.99 o -2 12 3 195.03 184.29 27.88 o 0 12 3 281.09 282.30 32.14 o 2 12 3 195.04 192.59 29.72 o 4 12 3 152.53 168.79 32.74 o 6 12 3 52.01 69.08 43.76 o -5 13 3 24.42 46.76 29.65 o -3 13 3 4.38 5.31 19.65 o -1 13 3 6.57 5.32 20.42 o 1 13 3 0.13 5.56 19.77 o 3 13 3 28.94 37.29 34.11 o -4 14 3 0.59 1.21 20.12 o -2 14 3 3.06 0.92 19.59 o 0 14 3 0.07 1.83 20.37 o 2 14 3 0.03 0.00 28.90 o 4 14 3 0.52 0.00 44.22 o -3 15 3 20.28 26.15 25.24 o -1 15 3 0.07 0.00 20.67 o 1 15 3 13.26 17.21 28.29 o 3 15 3 0.06 0.00 38.31 o -8 0 4 1093.45 1089.88 77.69 o -6 0 4 1081.73 1209.40 56.06 o -4 0 4 16822.89 17370.10 494.13 o -2 0 4 30539.22 29217.34 128.63 o 0 0 4 39135.36 38345.72 167.97 o 2 0 4 19029.28 16678.45 122.09 o 4 0 4 7861.98 7510.96 80.81 o 6 0 4 3095.11 3106.37 82.33 o 8 0 4 291.86 310.97 59.25 o -9 1 4 146.84 133.34 30.41 o -7 1 4 282.47 266.66 24.58 o -5 1 4 2077.86 2086.07 51.33 o -3 1 4 5859.37 6007.36 73.64 o -1 1 4 57.10 50.42 7.22 o 1 1 4 6625.38 6624.70 99.80 o 3 1 4 5427.37 5284.12 54.99 o 5 1 4 1218.28 1185.68 39.17 o 7 1 4 272.27 288.97 36.16 o -8 2 4 25.93 43.96 24.24 o -6 2 4 1.20 15.04 15.90 o -4 2 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