#------------------------------------------------------------------------------ #$Date: 2025-09-03 21:13:25 +0300 (Wed, 03 Sep 2025) $ #$Revision: 301994 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/3/00/05/3000551.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_3000551 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 15.4163 _cell_length_b 15.4163 _cell_length_c 7.1248 _exptl_crystal_F_000 692.00 _reflns_d_resolution_high 0.7695 _cod_data_source_file 6_Cl.fcf _cod_data_source_block 6_Cl _shelx_title ' [Ag(Cl)(C9H12N4)3]' _shelx_refln_list_code 4 _shelx_f_calc_maximum 194.22 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, 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 0 2 -9 439.08 412.02 138.08 o -2 3 -9 170.15 181.09 77.16 o -1 3 -9 266.37 134.37 128.57 o 0 3 -9 28.04 141.92 101.84 o -3 4 -9 391.96 417.38 102.71 o -2 4 -9 97.66 112.30 73.92 o -1 4 -9 591.69 378.78 118.26 o 0 4 -9 952.73 938.62 118.47 o 0 1 -8 437.91 483.49 116.61 o -1 2 -8 2105.67 1839.41 133.15 o 0 2 -8 359.32 360.51 176.94 o -2 3 -8 751.99 743.20 156.35 o -1 3 -8 377.18 396.32 84.69 o 0 3 -8 1752.54 1674.69 126.43 o -3 4 -8 464.72 594.94 185.81 o -2 4 -8 1429.06 1215.99 202.46 o -1 4 -8 387.51 407.04 86.63 o 0 4 -8 266.22 344.37 91.16 o -4 5 -8 1744.19 1798.44 183.67 o -3 5 -8 469.34 722.07 189.43 o -2 5 -8 423.06 393.59 83.66 o -1 5 -8 1256.98 1302.77 104.32 o 0 5 -8 349.58 291.60 63.64 o -5 6 -8 368.78 274.71 103.55 o -4 6 -8 542.96 524.33 130.76 o -3 6 -8 1805.28 1686.46 134.91 o -2 6 -8 420.58 446.97 71.85 o 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556.96 54.24 o -2 4 -7 150.26 132.12 40.57 o -1 4 -7 903.31 906.65 93.09 o 0 4 -7 1398.41 1292.69 64.74 o -4 5 -7 15.35 -18.65 37.96 o -3 5 -7 598.04 566.61 58.69 o -2 5 -7 531.92 514.72 53.31 o -1 5 -7 50.45 118.97 37.31 o 0 5 -7 421.33 410.60 44.58 o -5 6 -7 784.69 825.42 64.08 o -4 6 -7 983.26 923.60 77.94 o -3 6 -7 144.59 171.24 56.71 o -2 6 -7 445.59 395.23 62.51 o -1 6 -7 135.80 106.68 43.07 o 0 6 -7 43.37 95.85 41.32 o -6 7 -7 548.80 633.69 61.24 o -5 7 -7 8.45 76.85 53.49 o -4 7 -7 780.62 711.19 83.53 o -3 7 -7 302.20 285.87 59.17 o -2 7 -7 57.77 -15.75 56.94 o -1 7 -7 265.10 153.63 53.43 o 0 7 -7 987.69 1017.41 71.46 o -7 8 -7 2.08 18.06 51.23 o -6 8 -7 257.33 258.34 100.99 o -5 8 -7 1121.37 1016.57 102.56 o -4 8 -7 169.95 179.02 80.14 o -3 8 -7 530.94 530.10 77.77 o -2 8 -7 246.45 309.27 70.58 o -1 8 -7 59.33 153.23 101.28 o 0 8 -7 454.69 529.11 94.08 o -8 9 -7 414.29 488.76 125.78 o -7 9 -7 586.65 659.90 131.73 o -6 9 -7 187.61 250.63 90.14 o -5 9 -7 700.17 712.07 103.10 o 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66.23 o -3 12 -7 22.94 -30.38 63.60 o -2 12 -7 394.67 364.49 88.94 o -7 13 -7 150.22 146.56 92.96 o -6 13 -7 372.36 259.10 137.11 o 0 0 -6 1038.49 1081.54 114.29 o 0 1 -6 413.79 374.12 28.99 o -1 2 -6 2142.03 2048.96 58.71 o 0 2 -6 301.29 321.93 32.45 o -2 3 -6 1479.68 1430.43 45.50 o -1 3 -6 300.94 301.26 37.33 o 0 3 -6 2664.96 2649.74 67.05 o -3 4 -6 3307.48 3069.68 72.06 o -2 4 -6 2608.07 2528.09 75.98 o -1 4 -6 253.56 321.77 33.21 o 0 4 -6 234.54 242.60 30.79 o -4 5 -6 3318.47 3289.82 78.60 o -3 5 -6 469.22 575.47 71.41 o -2 5 -6 1157.86 1104.67 54.59 o -1 5 -6 2123.94 2004.39 61.56 o 0 5 -6 1005.17 765.14 46.59 o -5 6 -6 1444.73 1423.94 53.55 o -4 6 -6 1231.36 1306.84 52.18 o -3 6 -6 1680.30 1607.93 62.56 o -2 6 -6 898.43 961.12 55.29 o -1 6 -6 360.43 395.41 37.11 o 0 6 -6 945.93 1011.54 50.31 o -6 7 -6 88.05 65.56 33.72 o -5 7 -6 1168.76 1228.27 52.40 o -4 7 -6 1027.34 969.81 61.83 o -3 7 -6 100.07 165.12 39.07 o -2 7 -6 913.30 921.24 53.23 o -1 7 -6 249.81 193.41 34.72 o 0 7 -6 366.04 355.20 42.68 o -7 8 -6 1465.49 1496.79 68.99 o -6 8 -6 789.50 842.22 50.29 o -5 8 -6 434.79 527.50 62.13 o -4 8 -6 2314.80 2189.16 77.35 o -3 8 -6 767.26 851.02 67.74 o -2 8 -6 48.48 45.46 38.39 o -1 8 -6 753.13 769.65 53.25 o 0 8 -6 1154.62 1093.03 57.28 o -8 9 -6 131.79 135.13 36.20 o -7 9 -6 453.70 492.87 45.81 o -6 9 -6 2110.31 1856.39 118.13 o -5 9 -6 983.30 948.58 96.01 o -4 9 -6 1608.07 1528.63 70.59 o -3 9 -6 943.36 852.23 64.18 o -2 9 -6 90.75 134.36 40.41 o -1 9 -6 435.17 454.54 44.17 o 0 9 -6 2045.64 2128.08 74.67 o -9 10 -6 358.52 402.26 53.63 o -8 10 -6 1213.04 1261.07 64.49 o -7 10 -6 481.68 497.55 112.51 o -6 10 -6 97.76 141.54 50.51 o -5 10 -6 1729.90 1957.16 157.36 o -4 10 -6 64.54 85.22 41.81 o -3 10 -6 444.89 470.99 54.74 o -2 10 -6 1738.12 1703.57 72.88 o -1 10 -6 466.12 559.88 54.96 o 0 10 -6 163.89 158.75 45.33 o -10 11 -6 935.60 992.88 80.23 o -9 11 -6 222.91 262.33 43.08 o -8 11 -6 201.10 168.36 70.15 o -7 11 -6 1060.55 1012.46 110.59 o -6 11 -6 366.10 402.32 68.99 o -5 11 -6 471.88 457.96 73.27 o -4 11 -6 1301.77 1202.03 80.38 o -3 11 -6 591.58 504.48 76.54 o -2 11 -6 266.04 404.07 75.82 o -1 11 -6 879.87 916.31 75.99 o 0 11 -6 499.07 455.49 66.60 o -11 12 -6 219.10 217.27 53.16 o -10 12 -6 342.48 242.51 87.71 o -9 12 -6 1137.19 945.85 103.39 o -8 12 -6 186.35 190.73 72.34 o -7 12 -6 112.22 139.58 74.42 o -6 12 -6 708.42 675.12 89.58 o -5 12 -6 217.83 217.92 82.85 o -4 12 -6 690.21 704.78 95.86 o -3 12 -6 895.43 898.67 91.95 o -2 12 -6 189.46 232.42 68.78 o -1 12 -6 155.55 268.70 60.44 o 0 12 -6 1175.87 1212.66 116.38 o -12 13 -6 125.68 114.80 59.55 o -11 13 -6 703.20 636.22 96.05 o -10 13 -6 354.04 418.12 77.57 o -9 13 -6 334.59 336.08 99.38 o -8 13 -6 517.29 490.56 81.40 o -7 13 -6 67.16 114.24 80.86 o -6 13 -6 373.73 342.41 103.09 o -5 13 -6 1918.58 1755.24 151.21 o -4 13 -6 125.88 99.67 77.25 o -3 13 -6 170.20 201.21 58.76 o -2 13 -6 637.36 660.68 72.85 o -1 13 -6 220.16 207.77 70.08 o 0 13 -6 298.56 280.11 69.08 o -12 14 -6 335.90 245.43 84.91 o -11 14 -6 181.54 240.22 84.12 o -10 14 -6 558.71 483.58 90.94 o -9 14 -6 171.70 133.84 78.36 o -8 14 -6 122.61 26.58 116.37 o -7 14 -6 1013.57 1088.59 119.73 o -6 14 -6 529.66 419.74 88.90 o -5 14 -6 185.41 191.55 77.01 o -4 14 -6 360.14 250.25 83.77 o -3 14 -6 194.09 229.01 69.06 o -2 14 -6 87.11 22.96 68.42 o -9 15 -6 624.15 544.61 125.95 o -8 15 -6 247.85 126.94 80.48 o -7 15 -6 139.63 112.32 91.82 o -6 15 -6 789.33 669.19 108.48 o 0 1 -5 2573.55 2660.99 50.29 o -1 2 -5 109.04 153.59 19.13 o 0 2 -5 3205.49 3159.51 61.42 o -2 3 -5 2615.75 2459.46 52.92 o -1 3 -5 2801.88 2793.68 58.24 o 0 3 -5 46.50 28.99 21.45 o -3 4 -5 1661.42 1608.05 44.21 o -2 4 -5 323.90 394.29 25.03 o -1 4 -5 5918.55 5749.62 102.22 o 0 4 -5 3121.08 2924.61 64.59 o -4 5 -5 70.92 111.45 23.00 o -3 5 -5 3605.47 3516.71 65.81 o -2 5 -5 2787.42 3049.68 67.28 o -1 5 -5 61.28 101.68 28.44 o 0 5 -5 2100.05 2129.15 56.22 o -5 6 -5 1841.18 1758.46 52.21 o -4 6 -5 3650.76 3642.32 74.35 o -3 6 -5 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76.34 o -9 13 -5 805.27 581.80 78.91 o -8 13 -5 2.15 68.38 133.17 o -7 13 -5 1126.55 1066.29 87.83 o -6 13 -5 907.69 784.73 82.37 o -5 13 -5 64.91 39.92 62.63 o -4 13 -5 1402.68 1300.97 79.66 o -3 13 -5 1148.58 1042.58 91.24 o -2 13 -5 114.22 115.77 53.18 o -1 13 -5 770.15 751.73 64.31 o 0 13 -5 836.60 805.23 69.48 o -13 14 -5 125.56 108.30 53.53 o -12 14 -5 903.01 874.96 79.53 o -11 14 -5 699.01 788.89 240.90 o -10 14 -5 213.57 158.17 82.19 o -9 14 -5 824.06 963.65 167.90 o -8 14 -5 1159.61 991.94 127.91 o -7 14 -5 30.18 43.67 73.50 o -6 14 -5 1060.01 1081.41 200.40 o -5 14 -5 1657.48 1526.80 87.00 o -4 14 -5 4.67 57.07 69.50 o -3 14 -5 969.69 934.92 81.99 o -2 14 -5 826.24 813.24 77.61 o -1 14 -5 20.87 43.52 58.42 o 0 14 -5 683.13 652.41 75.76 o -14 15 -5 1144.55 1137.33 92.77 o -13 15 -5 994.36 1068.25 113.43 o -12 15 -5 40.38 75.50 73.00 o -11 15 -5 1149.66 1102.46 107.17 o -10 15 -5 604.04 521.84 101.78 o -9 15 -5 47.97 72.82 80.58 o -8 15 -5 811.63 833.90 170.29 o -7 15 -5 1081.15 1023.12 102.20 o -6 15 -5 360.10 309.28 75.71 o -5 15 -5 536.26 571.30 208.37 o -4 15 -5 450.54 479.33 76.12 o -3 15 -5 3.86 84.74 65.41 o -2 15 -5 611.30 658.39 93.87 o -1 15 -5 550.87 531.22 67.37 o -12 16 -5 1243.65 1325.72 114.35 o -11 16 -5 128.75 188.29 85.44 o -10 16 -5 846.44 921.94 108.37 o -9 16 -5 899.37 739.84 154.62 o -8 16 -5 39.62 58.63 87.39 o -7 16 -5 575.24 438.14 94.02 o -6 16 -5 649.02 486.98 218.73 o -5 16 -5 17.91 23.02 76.57 o -4 16 -5 569.35 415.60 93.34 o 0 0 -4 8242.39 9831.46 259.57 o 0 1 -4 1460.87 1698.90 32.23 o -1 2 -4 741.65 636.15 23.82 o 0 2 -4 60.84 33.82 13.98 o -2 3 -4 655.96 658.02 26.90 o -1 3 -4 877.66 895.24 27.48 o 0 3 -4 3079.11 3121.28 61.47 o -3 4 -4 191.61 222.88 21.12 o -2 4 -4 934.78 786.04 27.74 o -1 4 -4 987.54 996.26 35.20 o 0 4 -4 751.43 682.53 32.41 o -4 5 -4 740.68 718.32 31.58 o -3 5 -4 361.04 378.42 24.09 o -2 5 -4 21.58 49.30 18.82 o -1 5 -4 2273.45 2339.62 53.36 o 0 5 -4 402.78 334.42 28.17 o -5 6 -4 223.26 284.92 27.99 o -4 6 -4 1424.88 1402.39 37.46 o -3 6 -4 1940.52 1886.15 59.27 o -2 6 -4 507.22 613.74 32.76 o -1 6 -4 1246.43 1212.37 39.43 o 0 6 -4 1566.33 1653.00 44.40 o -6 7 -4 1130.20 1027.54 37.29 o -5 7 -4 1039.65 985.01 35.64 o -4 7 -4 550.05 617.73 28.76 o -3 7 -4 624.47 657.63 35.20 o -2 7 -4 2324.12 2260.85 54.50 o -1 7 -4 671.40 645.57 33.98 o 0 7 -4 619.09 566.49 34.27 o -7 8 -4 301.61 353.62 28.96 o -6 8 -4 247.03 246.07 28.25 o -5 8 -4 453.52 447.50 29.81 o -4 8 -4 253.96 233.63 27.94 o -3 8 -4 139.45 155.56 22.09 o -2 8 -4 146.94 164.48 23.28 o -1 8 -4 1339.16 1327.03 43.33 o 0 8 -4 131.77 147.21 22.70 o -8 9 -4 569.27 542.54 39.60 o -7 9 -4 84.40 91.78 22.35 o -6 9 -4 839.38 749.16 33.68 o -5 9 -4 155.36 165.67 29.99 o -4 9 -4 62.49 62.17 24.47 o -3 9 -4 283.56 313.94 30.13 o -2 9 -4 237.78 224.45 27.24 o -1 9 -4 263.40 279.63 28.26 o 0 9 -4 169.78 159.26 25.91 o -9 10 -4 1128.30 1066.80 45.06 o -8 10 -4 3238.95 3118.69 66.80 o -7 10 -4 995.58 1001.26 53.40 o -6 10 -4 729.57 670.61 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3 2979.03 2777.41 61.11 o -1 6 3 4600.48 4339.20 84.30 o 0 6 3 226.12 262.25 16.74 o -6 7 3 4694.50 4485.63 79.10 o -5 7 3 269.39 348.31 27.57 o -4 7 3 3598.13 3450.19 63.30 o -3 7 3 3333.66 3170.50 59.85 o -2 7 3 556.52 641.24 48.57 o -1 7 3 2458.07 2382.20 47.61 o 0 7 3 2543.69 2446.43 45.64 o -7 8 3 23.68 52.14 10.17 o -6 8 3 4852.63 4807.69 74.23 o -5 8 3 4491.25 4229.51 67.66 o -4 8 3 111.27 217.71 25.61 o -3 8 3 2376.63 2191.02 39.76 o -2 8 3 4698.29 4518.80 78.18 o -1 8 3 103.00 78.56 11.70 o 0 8 3 2864.35 2902.15 46.42 o -8 9 3 2582.12 2567.48 47.06 o -7 9 3 1814.77 1761.67 36.67 o -6 9 3 70.59 102.31 12.15 o -5 9 3 3586.31 3583.99 58.93 o -4 9 3 2177.46 2178.09 40.36 o -3 9 3 118.73 192.94 28.51 o -2 9 3 3599.91 3476.02 61.70 o -1 9 3 3244.71 3129.81 51.47 o 0 9 3 433.79 496.14 16.39 o -9 10 3 2612.06 2627.31 48.51 o -8 10 3 136.85 109.15 12.00 o -7 10 3 1822.46 1724.30 34.48 o -6 10 3 3796.86 3638.90 59.16 o -5 10 3 92.18 160.92 11.98 o -4 10 3 2800.24 2737.28 54.57 o -3 10 3 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