#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/75/2207512.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_2207512_Fobs loop_ _publ_author_name 'Brito, Iv\'an' 'L\'opez-Rodr\'iguez, Mat\'ias' 'Vargas, Danitza' 'C\'ardenas, Alejandro' _publ_section_title ; Bis(dibenzylamine)silver(I) nitrate ; _journal_coeditor_code CV6602 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2626 _journal_page_last m2628 _journal_volume 61 _journal_year 2005 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 107.670 _cell_angle_gamma 90.000 _cell_length_a 12.0340 _cell_length_b 18.6720 _cell_length_c 12.2180 _exptl_crystal_F_000 1160.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file cv6602Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sir: ---- ivanak' _shelx_refln_list_code 4 _shelx_f_calc_maximum 200.17 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 26315.26 16313.79 535.50 o 4 0 0 12446.01 13119.27 236.55 o 5 0 0 16187.24 16502.04 297.00 o 6 0 0 875.76 847.59 18.30 o 7 0 0 799.17 781.57 17.90 o 8 0 0 2234.82 2316.23 45.44 o 9 0 0 0.53 11.60 10.22 o 10 0 0 576.63 568.71 29.60 o 11 0 0 1005.80 998.36 68.81 o 12 0 0 27.59 39.83 13.96 o 13 0 0 271.10 250.46 21.81 o 14 0 0 56.79 64.10 23.87 o 2 1 0 1402.27 1329.88 61.37 o 4 1 0 4485.98 4823.78 65.01 o 5 1 0 87.89 85.96 3.56 o 6 1 0 1689.08 1680.70 35.03 o 7 1 0 1273.59 1288.45 18.93 o 8 1 0 301.94 337.19 7.47 o 9 1 0 873.84 851.26 20.30 o 10 1 0 68.10 79.47 7.14 o 11 1 0 1189.08 1192.78 24.92 o 12 1 0 762.99 794.57 30.87 o 13 1 0 3.70 23.15 11.47 o 14 1 0 319.21 296.84 25.17 o 1 2 0 130.36 63.71 11.83 o 2 2 0 904.21 927.13 18.19 o 3 2 0 3724.69 4126.71 54.06 o 4 2 0 443.23 444.65 7.35 o 5 2 0 35.44 55.66 3.83 o 6 2 0 9.74 13.64 2.63 o 7 2 0 134.93 142.70 4.82 o 8 2 0 336.47 365.33 7.94 o 9 2 0 5.09 13.40 4.63 o 10 2 0 381.87 422.09 9.21 o 11 2 0 81.77 77.59 5.48 o 12 2 0 3.87 19.63 6.13 o 13 2 0 25.93 47.49 14.65 o 14 2 0 3.73 11.32 23.03 o 1 3 0 6006.46 5968.78 305.81 o 2 3 0 3829.49 4352.64 167.10 o 3 3 0 7299.44 7577.69 97.37 o 4 3 0 3428.89 3381.92 45.62 o 5 3 0 21.08 30.38 3.21 o 6 3 0 90.87 128.63 7.03 o 7 3 0 908.71 805.30 19.75 o 8 3 0 133.68 155.75 6.54 o 9 3 0 1112.43 1037.32 20.25 o 10 3 0 61.63 71.43 9.28 o 11 3 0 245.90 230.19 9.06 o 12 3 0 235.63 203.68 9.69 o 13 3 0 1.01 33.35 14.43 o 14 3 0 92.34 117.86 47.75 o 1 4 0 8252.72 8376.86 120.77 o 2 4 0 27901.80 28687.46 423.43 o 3 4 0 19985.57 22184.02 1177.89 o 4 4 0 118.84 154.21 4.84 o 5 4 0 1580.23 1460.52 28.48 o 6 4 0 4038.43 3974.85 112.91 o 7 4 0 1996.52 2058.56 46.94 o 8 4 0 2725.02 2722.61 67.63 o 9 4 0 114.98 110.28 5.63 o 10 4 0 989.55 905.21 20.41 o 11 4 0 557.74 524.07 12.53 o 12 4 0 45.05 62.80 13.57 o 13 4 0 187.04 227.99 34.70 o 14 4 0 95.45 131.00 18.28 o 1 5 0 13623.43 13607.95 166.06 o 2 5 0 78.03 48.65 4.54 o 3 5 0 2231.98 2201.73 31.64 o 4 5 0 14093.44 15233.08 603.24 o 5 5 0 380.62 403.32 9.18 o 6 5 0 1501.16 1478.75 41.24 o 7 5 0 3490.42 3498.00 92.59 o 8 5 0 738.20 779.10 32.71 o 9 5 0 1828.76 1869.09 46.18 o 10 5 0 191.10 145.75 11.51 o 11 5 0 809.21 781.52 28.77 o 12 5 0 764.36 679.12 17.49 o 13 5 0 41.40 78.73 17.99 o 14 5 0 400.34 355.76 21.25 o 0 6 0 9302.42 9418.68 239.56 o 1 6 0 5606.30 5754.71 87.04 o 2 6 0 60.61 45.62 7.57 o 3 6 0 13036.33 13675.21 223.40 o 4 6 0 4.25 -1.02 3.77 o 5 6 0 393.82 382.56 11.64 o 6 6 0 2594.33 2592.21 113.33 o 7 6 0 1020.83 1054.86 39.65 o 8 6 0 1152.09 1186.09 35.44 o 9 6 0 126.47 120.20 6.12 o 10 6 0 267.09 266.20 12.50 o 11 6 0 485.91 501.52 19.18 o 12 6 0 88.53 109.65 9.76 o 13 6 0 138.03 128.49 19.98 o 14 6 0 1.99 25.68 29.53 o 1 7 0 772.84 816.22 24.34 o 2 7 0 486.13 502.96 16.84 o 3 7 0 845.08 952.07 18.90 o 4 7 0 3038.67 3362.58 47.17 o 5 7 0 806.53 814.80 22.53 o 6 7 0 442.61 523.43 18.72 o 7 7 0 25.95 30.70 4.31 o 8 7 0 105.58 116.59 7.29 o 9 7 0 10.90 8.12 7.71 o 10 7 0 250.97 280.63 12.07 o 11 7 0 5.14 21.18 9.47 o 12 7 0 0.20 8.47 11.50 o 13 7 0 0.23 9.06 10.46 o 14 7 0 0.19 28.77 16.08 o 0 8 0 3773.20 3570.91 81.00 o 1 8 0 48.85 47.64 4.97 o 2 8 0 1877.17 1883.68 74.94 o 3 8 0 3807.47 3844.07 74.31 o 4 8 0 369.92 383.17 12.03 o 5 8 0 1415.63 1299.54 31.26 o 6 8 0 1034.32 979.51 31.12 o 7 8 0 63.39 52.37 5.39 o 8 8 0 1985.42 1942.26 75.59 o 9 8 0 133.97 149.01 13.42 o 10 8 0 46.00 39.95 7.76 o 11 8 0 93.45 100.59 9.28 o 12 8 0 78.10 77.14 11.39 o 13 8 0 129.95 177.89 15.46 o 14 8 0 70.36 123.25 44.83 o 1 9 0 3438.63 3238.07 51.65 o 2 9 0 5272.53 5556.43 240.30 o 3 9 0 1596.33 1552.20 48.06 o 4 9 0 5896.48 5706.31 121.75 o 5 9 0 13.37 10.27 4.45 o 6 9 0 2586.72 2454.42 87.23 o 7 9 0 3613.12 3550.22 139.65 o 8 9 0 1360.34 1372.36 51.23 o 9 9 0 1498.59 1393.87 25.03 o 10 9 0 346.98 304.90 21.49 o 11 9 0 531.24 536.95 38.52 o 12 9 0 249.63 271.41 16.66 o 13 9 0 1.17 16.91 11.92 o 0 10 0 1446.42 1464.30 36.36 o 1 10 0 53.04 45.31 4.55 o 2 10 0 760.46 729.11 38.99 o 3 10 0 6936.25 7167.01 269.51 o 4 10 0 927.53 906.47 32.74 o 5 10 0 7397.10 7447.83 178.61 o 6 10 0 1809.35 1763.61 80.34 o 7 10 0 755.85 717.70 28.04 o 8 10 0 3098.41 2854.05 62.60 o 9 10 0 79.49 83.13 13.00 o 10 10 0 1197.77 1106.11 49.14 o 11 10 0 418.14 369.24 34.21 o 12 10 0 78.16 99.40 17.31 o 13 10 0 206.02 207.36 46.97 o 1 11 0 864.93 983.20 19.27 o 2 11 0 1250.32 1389.96 54.78 o 3 11 0 242.06 246.58 15.46 o 4 11 0 1364.11 1375.19 41.89 o 5 11 0 437.94 456.90 9.61 o 6 11 0 697.78 683.54 14.41 o 7 11 0 353.79 358.79 18.59 o 8 11 0 57.54 65.33 7.18 o 9 11 0 27.10 25.00 6.60 o 10 11 0 37.52 43.19 8.42 o 11 11 0 45.19 30.87 8.81 o 12 11 0 3.24 9.91 10.76 o 13 11 0 2.81 -8.49 9.38 o 0 12 0 176.96 122.68 31.86 o 1 12 0 17.79 10.93 4.67 o 2 12 0 115.60 141.37 7.12 o 3 12 0 31.52 33.37 4.11 o 4 12 0 379.60 397.14 19.66 o 5 12 0 431.78 472.76 21.22 o 6 12 0 836.59 806.48 18.55 o 7 12 0 25.14 31.88 7.04 o 8 12 0 105.49 110.85 9.10 o 9 12 0 10.95 16.21 11.58 o 10 12 0 16.43 35.26 13.48 o 11 12 0 58.28 74.44 23.87 o 12 12 0 5.53 26.17 32.70 o 1 13 0 5013.15 4987.48 83.56 o 2 13 0 499.92 497.99 26.56 o 3 13 0 137.21 140.98 9.72 o 4 13 0 3742.14 3601.03 132.70 o 5 13 0 206.20 193.86 9.66 o 6 13 0 1350.40 1261.07 25.92 o 7 13 0 1022.80 966.86 21.83 o 8 13 0 184.95 184.35 10.13 o 9 13 0 442.75 437.71 17.06 o 10 13 0 51.00 56.74 20.49 o 11 13 0 18.93 59.31 14.18 o 12 13 0 91.38 85.24 14.44 o 0 14 0 4218.55 4024.70 128.04 o 1 14 0 220.35 233.74 11.10 o 2 14 0 2090.10 2101.65 106.48 o 3 14 0 3028.52 3260.01 131.60 o 4 14 0 312.49 307.56 9.90 o 5 14 0 3295.09 3141.92 229.24 o 6 14 0 990.08 930.92 30.83 o 7 14 0 526.59 460.51 20.74 o 8 14 0 791.98 742.00 22.29 o 9 14 0 3.28 16.69 15.23 o 10 14 0 314.14 298.33 22.09 o 11 14 0 135.25 155.27 18.33 o 12 14 0 115.25 122.73 45.00 o 1 15 0 2126.79 2290.74 100.71 o 2 15 0 891.37 928.37 45.50 o 3 15 0 0.91 19.00 8.32 o 4 15 0 978.70 892.03 58.02 o 5 15 0 0.45 -9.10 9.10 o 6 15 0 647.21 561.13 22.26 o 7 15 0 441.75 425.75 15.93 o 8 15 0 129.12 89.77 11.08 o 9 15 0 320.89 307.55 15.71 o 10 15 0 77.33 91.12 39.17 o 11 15 0 86.24 131.59 39.06 o 0 16 0 71.76 87.62 12.21 o 1 16 0 20.51 47.86 12.45 o 2 16 0 660.28 687.89 28.87 o 3 16 0 17.08 21.31 9.11 o 4 16 0 25.54 29.00 9.47 o 5 16 0 60.16 85.33 15.43 o 6 16 0 1.71 29.55 22.17 o 7 16 0 121.08 87.15 8.42 o 8 16 0 4.41 48.30 17.40 o 9 16 0 31.14 6.40 10.41 o 10 16 0 94.59 92.65 26.07 o 11 16 0 6.17 -4.29 15.67 o 1 17 0 0.33 1.74 8.36 o 2 17 0 28.73 29.42 7.43 o 3 17 0 63.35 84.13 9.20 o 4 17 0 20.27 56.46 10.36 o 5 17 0 23.49 63.40 19.17 o 6 17 0 163.79 149.81 23.18 o 7 17 0 113.67 101.32 15.48 o 8 17 0 9.16 0.15 14.45 o 9 17 0 18.49 36.24 15.46 o 10 17 0 66.21 56.75 17.99 o 0 18 0 463.57 516.81 34.21 o 1 18 0 190.86 203.94 25.68 o 2 18 0 107.26 147.46 10.34 o 3 18 0 554.26 591.82 23.53 o 4 18 0 3.77 13.23 16.23 o 5 18 0 604.14 653.96 33.82 o 6 18 0 333.46 297.15 29.57 o 7 18 0 255.91 260.99 16.28 o 8 18 0 345.80 392.01 65.95 o 9 18 0 0.03 -0.36 14.89 o 1 19 0 1039.47 1115.32 24.91 o 2 19 0 983.86 1021.81 50.03 o 3 19 0 46.32 76.65 19.12 o 4 19 0 837.53 783.78 140.05 o 5 19 0 90.01 129.89 48.32 o 6 19 0 366.89 383.13 35.54 o 7 19 0 522.24 520.73 82.11 o 8 19 0 16.58 21.48 12.14 o 9 19 0 225.15 255.61 27.93 o 0 20 0 716.94 661.78 40.57 o 1 20 0 73.19 56.72 15.65 o 2 20 0 60.08 75.49 16.47 o 3 20 0 213.27 171.65 40.17 o 4 20 0 278.03 230.97 20.61 o 5 20 0 302.09 317.14 32.24 o 6 20 0 25.62 27.49 13.53 o 7 20 0 5.89 28.13 16.32 o 8 20 0 34.95 96.87 16.76 o 1 21 0 28.93 32.88 16.09 o 2 21 0 72.36 41.07 27.48 o 3 21 0 52.59 88.00 17.76 o 4 21 0 0.09 21.46 20.02 o 5 21 0 3.80 14.33 37.24 o 6 21 0 26.49 23.57 20.06 o 7 21 0 21.80 24.04 14.73 o 0 22 0 83.70 107.07 25.82 o 1 22 0 0.27 3.98 28.40 o 2 22 0 19.67 2.12 14.46 o 3 22 0 40.48 35.31 16.78 o 4 22 0 10.45 69.03 43.99 o 5 22 0 5.80 -0.79 34.05 o 6 22 0 31.37 18.27 22.06 o 1 23 0 341.08 361.52 39.90 o 2 23 0 83.52 165.70 22.01 o 3 23 0 52.79 100.75 24.60 o 4 23 0 281.73 276.67 36.08 o 0 24 0 24.98 59.13 33.81 o 1 24 0 0.17 47.68 19.76 o 2 24 0 86.00 164.65 22.26 o -15 1 1 203.64 185.70 15.61 o -14 1 1 135.66 142.28 11.60 o -13 1 1 1.50 7.09 8.99 o -12 1 1 837.42 794.30 20.77 o -11 1 1 40.64 42.37 5.53 o -10 1 1 507.26 511.53 10.42 o -9 1 1 3.84 7.88 4.52 o -8 1 1 128.47 128.26 4.30 o -7 1 1 4533.95 4538.88 60.06 o -6 1 1 295.66 290.71 5.58 o -5 1 1 5040.20 5041.80 65.56 o -4 1 1 13814.11 14203.74 180.53 o -3 1 1 8927.01 9297.78 118.77 o -2 1 1 5153.08 4931.97 275.28 o 1 1 1 11653.71 7199.43 296.07 o 2 1 1 884.26 961.80 14.88 o 3 1 1 1377.08 1416.80 19.50 o 4 1 1 4746.40 4871.29 58.96 o 5 1 1 1300.69 1504.39 21.69 o 6 1 1 5786.84 5946.65 77.79 o 7 1 1 1055.38 1059.65 27.55 o 8 1 1 691.31 729.49 13.17 o 9 1 1 1689.87 1600.18 24.80 o 10 1 1 35.26 52.42 5.46 o 11 1 1 679.38 681.86 23.50 o 12 1 1 49.90 70.96 8.76 o 13 1 1 131.88 125.29 21.24 o 14 1 1 188.96 175.71 23.57 o -15 2 1 12.19 63.96 50.48 o -14 2 1 149.13 172.56 33.56 o -13 2 1 161.78 174.79 12.95 o -12 2 1 32.52 43.25 8.14 o -11 2 1 937.32 937.95 18.24 o -10 2 1 26.81 33.10 6.90 o -9 2 1 113.56 116.67 8.38 o -8 2 1 3153.83 3031.50 48.47 o -7 2 1 483.27 523.67 8.83 o -6 2 1 5005.45 4779.03 58.51 o -5 2 1 11259.05 11629.89 145.99 o -4 2 1 5277.73 5268.95 76.62 o -2 2 1 7006.80 7337.62 115.18 o -1 2 1 15005.69 7734.18 1120.83 o 1 2 1 16.47 36.31 2.92 o 2 2 1 5887.65 5848.04 92.69 o 3 2 1 20156.91 21724.76 300.50 o 4 2 1 3739.20 3894.24 51.25 o 5 2 1 3787.18 3579.07 47.82 o 6 2 1 7.25 22.40 4.46 o 7 2 1 3967.79 3961.40 52.81 o 8 2 1 2476.42 2326.52 42.10 o 9 2 1 349.28 385.00 11.02 o 10 2 1 3066.43 2978.58 67.43 o 11 2 1 267.94 252.89 15.84 o 12 2 1 186.53 190.37 11.01 o 13 2 1 235.66 261.05 16.20 o 14 2 1 21.41 66.73 22.80 o -15 3 1 134.32 130.30 37.28 o -14 3 1 175.85 180.42 16.82 o -13 3 1 42.65 38.89 17.15 o -12 3 1 646.80 651.74 17.50 o -11 3 1 315.43 307.45 11.98 o -10 3 1 240.11 220.20 6.55 o -9 3 1 1997.35 2039.81 27.15 o -8 3 1 216.19 188.82 6.84 o -7 3 1 7746.74 7727.28 113.77 o -6 3 1 3016.77 3119.41 39.50 o -5 3 1 6528.70 6761.23 81.11 o -4 3 1 32096.88 37453.81 3726.09 o -3 3 1 3161.50 3114.00 38.20 o -2 3 1 14653.68 15409.80 475.95 o -1 3 1 12522.64 12030.09 185.96 o 0 3 1 4538.34 5274.90 345.90 o 1 3 1 15415.14 16742.47 301.80 o 2 3 1 5855.35 5826.58 93.14 o 3 3 1 9563.24 10163.45 142.30 o 4 3 1 2699.84 2662.55 77.37 o 5 3 1 1357.84 1459.09 36.00 o 6 3 1 4543.42 4301.61 78.56 o 7 3 1 1467.79 1469.90 32.65 o 8 3 1 1347.62 1365.39 24.30 o 9 3 1 2469.57 2438.78 63.45 o 10 3 1 0.89 3.61 5.42 o 11 3 1 1973.87 1944.26 31.20 o 12 3 1 255.64 247.87 14.00 o 13 3 1 86.31 90.48 15.78 o 14 3 1 393.37 376.94 29.45 o -14 4 1 1.83 34.99 17.15 o -13 4 1 55.04 52.18 23.57 o -12 4 1 7.35 41.80 19.67 o -11 4 1 370.96 334.86 11.98 o -10 4 1 798.50 788.74 21.04 o -9 4 1 309.64 301.75 8.77 o -8 4 1 2523.65 2619.50 59.70 o -7 4 1 13.28 25.71 5.03 o -6 4 1 3294.72 3507.69 145.34 o -5 4 1 3115.54 3651.81 141.68 o -4 4 1 2815.35 2968.85 36.78 o -3 4 1 3773.95 3898.31 50.97 o -2 4 1 7621.43 7669.55 108.95 o -1 4 1 10237.50 10877.43 141.15 o 0 4 1 8176.35 9497.29 628.59 o 1 4 1 3898.34 4179.45 150.57 o 2 4 1 2389.80 2440.65 35.98 o 3 4 1 1354.82 1406.25 21.95 o 4 4 1 1487.53 1570.43 31.96 o 5 4 1 886.68 805.18 17.49 o 6 4 1 1707.61 1842.12 79.13 o 7 4 1 1172.98 1278.35 25.24 o 8 4 1 353.14 350.57 14.01 o 9 4 1 287.49 290.83 11.98 o 10 4 1 453.01 438.91 10.40 o 11 4 1 324.35 308.99 17.11 o 12 4 1 79.38 78.52 8.21 o 13 4 1 5.73 16.03 17.28 o 14 4 1 13.41 -4.62 12.84 o -14 5 1 22.13 96.91 25.97 o -13 5 1 0.33 26.06 16.01 o -12 5 1 65.43 76.39 16.19 o -11 5 1 145.52 151.35 7.89 o -10 5 1 449.84 481.04 19.87 o -9 5 1 412.54 488.56 20.20 o -8 5 1 16.91 19.18 3.18 o -7 5 1 134.66 173.93 10.18 o -6 5 1 801.64 804.95 39.13 o -5 5 1 645.22 714.08 18.42 o -4 5 1 1029.02 1006.00 13.79 o -3 5 1 305.41 291.15 14.71 o -2 5 1 3622.67 3630.79 58.61 o -1 5 1 1696.63 1675.68 30.23 o 0 5 1 21.90 25.30 3.25 o 1 5 1 1440.84 1379.32 19.37 o 2 5 1 1696.37 1872.61 80.64 o 3 5 1 320.69 393.97 8.03 o 4 5 1 4.91 0.73 3.61 o 5 5 1 2010.61 1985.61 48.98 o 6 5 1 7.59 11.00 5.30 o 7 5 1 135.64 144.64 6.03 o 8 5 1 215.64 228.53 12.31 o 9 5 1 393.07 407.20 16.82 o 10 5 1 46.24 42.42 8.69 o 11 5 1 359.48 364.99 14.53 o 12 5 1 0.24 18.55 10.23 o 13 5 1 1.50 19.28 8.07 o 14 5 1 24.89 35.22 21.09 o -14 6 1 51.67 43.70 16.62 o -13 6 1 166.61 171.98 19.32 o -12 6 1 0.01 -8.47 8.90 o -11 6 1 580.85 574.63 17.89 o -10 6 1 299.34 313.58 10.81 o -9 6 1 57.26 76.28 6.42 o -8 6 1 937.22 983.70 28.86 o -7 6 1 6.43 13.27 4.66 o 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