#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/33/2013301.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_2013301_Fobs loop_ _publ_author_name 'Dronskowski, Richard' 'Liu, Xiao-Hui' _publ_section_title ; Bis(cyanoguanidine)silver(I) nitrate--cyanoguanidine (1/1) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m243 _journal_page_last m245 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 92.519 _cell_angle_gamma 90.000 _cell_length_a 15.5261 _cell_length_b 3.6482 _cell_length_c 25.7974 _exptl_crystal_F_000 840.00 _reflns_d_resolution_high 0.7490 _[local]_cod_data_source_file jz1551Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' p4 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 259.44 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 17391.85 18940.47 2328.33 o 4 0 0 13751.83 13577.29 1669.03 o 6 0 0 27521.89 27275.67 3347.78 o 8 0 0 19728.47 20821.32 2551.52 o 10 0 0 14126.10 14849.62 1827.87 o 12 0 0 4790.58 4479.93 553.43 o 14 0 0 993.64 1153.94 171.50 o 16 0 0 249.01 247.70 71.59 o 18 0 0 604.01 685.88 164.62 o 1 1 0 2258.72 2787.21 413.97 o 2 1 0 746.58 854.60 106.88 o 3 1 0 340.43 438.05 82.73 o 4 1 0 43.34 36.65 21.86 o 5 1 0 2648.29 2837.91 269.64 o 6 1 0 144.16 134.21 29.52 o 7 1 0 2739.06 2720.67 260.93 o 8 1 0 463.63 573.30 68.41 o 9 1 0 1037.42 1011.89 106.99 o 10 1 0 483.64 500.96 63.22 o 11 1 0 299.49 331.22 55.92 o 12 1 0 2.89 10.74 37.96 o 13 1 0 1808.38 2093.32 208.74 o 14 1 0 189.50 166.90 58.94 o 15 1 0 264.29 246.92 66.36 o 16 1 0 30.64 17.22 64.14 o 17 1 0 297.84 321.49 126.78 o 18 1 0 1.41 71.34 97.70 o 19 1 0 145.50 233.19 150.27 o 20 1 0 6.07 55.34 146.13 o 0 2 0 3870.27 4145.16 875.04 o 1 2 0 2266.49 2328.47 353.99 o 2 2 0 5854.69 5912.34 874.29 o 3 2 0 3045.16 2813.40 287.98 o 4 2 0 858.11 789.58 109.23 o 5 2 0 247.16 263.86 50.92 o 6 2 0 598.20 715.67 95.73 o 7 2 0 2.57 56.74 40.56 o 8 2 0 2020.60 1822.52 276.93 o 9 2 0 527.92 677.07 89.62 o 10 2 0 1900.62 1789.81 540.90 o 11 2 0 438.57 423.96 87.68 o 12 2 0 874.52 785.84 268.22 o 13 2 0 46.57 9.53 87.23 o 14 2 0 671.56 848.06 267.79 o 15 2 0 45.89 -98.95 98.95 o 16 2 0 124.49 76.05 195.10 o 17 2 0 21.69 -56.85 97.40 o 18 2 0 111.63 211.87 118.00 o 1 3 0 299.53 278.75 85.44 o 2 3 0 92.28 58.23 42.11 o 3 3 0 10.63 -41.62 41.62 o 4 3 0 98.64 28.51 45.26 o 5 3 0 34.40 36.80 60.16 o 6 3 0 154.13 178.55 66.32 o 7 3 0 122.34 133.66 58.11 o 8 3 0 24.20 38.21 134.86 o 9 3 0 2.49 176.60 105.97 o 10 3 0 96.80 80.89 96.88 o 11 3 0 149.91 101.59 102.77 o 12 3 0 34.72 -105.82 194.13 o 13 3 0 3.11 -95.14 122.63 o 14 3 0 3.15 22.24 121.36 o 15 3 0 44.41 44.77 163.28 o 16 3 0 0.43 49.50 139.71 o 0 4 0 102.83 58.85 97.79 o 1 4 0 126.45 144.72 125.61 o 2 4 0 90.68 201.50 74.40 o 3 4 0 4.15 -10.58 81.96 o 4 4 0 7.03 77.25 102.03 o 5 4 0 0.06 113.32 100.63 o 6 4 0 1.87 201.39 105.93 o 7 4 0 78.41 35.44 90.66 o 8 4 0 181.94 65.08 117.74 o 9 4 0 39.26 -51.88 334.81 o 10 4 0 17.85 132.23 195.06 o 11 4 0 1.75 -117.81 191.78 o -19 0 1 847.49 1090.07 213.26 o -17 0 1 647.26 822.93 128.07 o -15 0 1 638.86 754.66 126.59 o -13 0 1 4805.22 5005.56 631.64 o -11 0 1 6389.56 6426.45 801.10 o -9 0 1 8040.33 7797.99 963.56 o -7 0 1 10029.35 9869.45 1216.67 o -5 0 1 2047.66 1955.38 297.01 o -3 0 1 44985.01 44916.16 5509.99 o 3 0 1 694.06 580.37 73.39 o 5 0 1 2657.21 2578.58 325.39 o 7 0 1 14438.50 14693.79 1804.49 o 9 0 1 374.79 352.65 71.34 o 11 0 1 3996.83 3666.60 465.14 o 13 0 1 1688.45 1706.41 236.22 o 15 0 1 913.03 1045.88 163.06 o 17 0 1 656.98 740.73 124.43 o -20 1 1 5.49 -23.83 136.02 o -19 1 1 25.72 56.99 126.58 o -18 1 1 214.64 216.50 118.18 o -17 1 1 131.30 35.67 89.14 o -16 1 1 12.24 -17.73 55.92 o -15 1 1 126.62 58.82 65.05 o -14 1 1 3.95 -29.96 45.01 o -13 1 1 26.55 49.85 41.78 o -12 1 1 6.83 -25.13 35.39 o -11 1 1 380.46 503.68 69.74 o -10 1 1 26.56 69.10 42.50 o -9 1 1 152.40 139.52 37.42 o -8 1 1 6.35 13.40 27.28 o -7 1 1 233.68 221.46 37.91 o -6 1 1 59.70 43.04 31.41 o -5 1 1 105.02 140.51 31.36 o -4 1 1 2032.51 2233.16 240.89 o -3 1 1 13921.56 14757.70 1560.09 o -2 1 1 5876.64 6385.19 678.68 o -1 1 1 441.19 501.66 84.77 o 0 1 1 2348.44 2560.15 380.61 o 1 1 1 248.51 348.39 63.58 o 2 1 1 4349.57 4292.75 508.90 o 3 1 1 7686.12 7813.46 791.50 o 4 1 1 2393.99 2459.17 233.88 o 5 1 1 264.44 291.44 40.25 o 6 1 1 2802.55 2797.53 267.25 o 7 1 1 13.87 43.44 27.27 o 8 1 1 1243.81 1392.60 142.36 o 9 1 1 1838.12 1897.01 192.07 o 10 1 1 2607.01 2602.87 273.03 o 11 1 1 213.34 222.58 49.31 o 12 1 1 866.70 874.62 103.72 o 13 1 1 92.27 90.42 41.15 o 14 1 1 1159.23 1203.61 133.23 o 15 1 1 44.18 36.16 47.65 o 16 1 1 107.20 -3.72 63.73 o 17 1 1 2.54 26.65 61.98 o 18 1 1 322.41 248.20 233.10 o 19 1 1 0.14 -72.11 72.11 o 20 1 1 498.51 548.22 154.22 o -18 2 1 84.33 -56.11 73.71 o -17 2 1 56.57 -4.51 97.24 o -16 2 1 29.56 -38.80 95.85 o -15 2 1 281.41 197.32 346.48 o -14 2 1 227.20 76.50 126.17 o -13 2 1 767.72 702.05 177.71 o -12 2 1 657.67 562.58 151.94 o -11 2 1 1784.11 1521.92 449.03 o -10 2 1 0.59 83.71 59.66 o -9 2 1 2226.72 1952.31 412.65 o -8 2 1 283.00 291.52 55.82 o -7 2 1 3281.27 3317.55 400.79 o -6 2 1 223.86 206.54 47.61 o -5 2 1 3348.54 3303.42 340.77 o -4 2 1 1530.19 1456.45 159.36 o -3 2 1 1217.70 1120.71 258.37 o -2 2 1 487.83 636.00 99.36 o -1 2 1 11955.41 13976.47 2055.93 o 0 2 1 796.86 1065.49 173.29 o 1 2 1 8577.72 9469.64 1396.12 o 2 2 1 1325.78 1342.45 169.63 o 3 2 1 3154.67 3200.51 383.30 o 4 2 1 351.20 385.69 64.42 o 5 2 1 1088.15 1090.87 140.11 o 6 2 1 2644.15 2535.27 320.70 o 7 2 1 1374.33 1325.77 172.93 o 8 2 1 953.10 973.65 136.56 o 9 2 1 1593.01 1449.50 227.57 o 10 2 1 0.38 14.09 50.36 o 11 2 1 1161.76 1087.86 206.16 o 12 2 1 540.18 361.15 344.77 o 13 2 1 182.65 128.72 113.34 o 14 2 1 2.10 115.21 96.00 o 15 2 1 63.15 53.89 97.85 o 16 2 1 68.31 134.37 101.90 o 17 2 1 10.89 36.91 112.00 o 18 2 1 0.32 -88.52 88.52 o -16 3 1 0.02 0.74 95.98 o -15 3 1 2.83 -13.38 330.52 o -14 3 1 5.64 -58.81 187.82 o -13 3 1 0.00 -10.62 91.70 o -12 3 1 7.46 -36.65 93.04 o -11 3 1 4.13 7.33 91.19 o -10 3 1 2.88 50.09 154.82 o -9 3 1 27.27 9.32 257.19 o -8 3 1 3.59 2.31 53.02 o -7 3 1 7.13 13.57 56.89 o -6 3 1 64.32 4.10 55.55 o -5 3 1 2.59 67.40 59.99 o -4 3 1 64.30 106.03 46.16 o -3 3 1 163.91 139.02 46.15 o -2 3 1 54.13 20.78 57.64 o -1 3 1 0.72 -52.60 52.97 o 0 3 1 70.76 148.36 68.66 o 1 3 1 65.84 60.71 66.04 o 2 3 1 7.14 31.68 44.21 o 3 3 1 132.60 160.95 49.24 o 4 3 1 278.30 285.23 95.21 o 5 3 1 80.85 85.68 38.53 o 6 3 1 358.50 337.40 114.86 o 7 3 1 6.53 55.39 46.24 o 8 3 1 47.72 64.59 103.05 o 9 3 1 94.37 55.31 91.33 o 10 3 1 75.39 -0.78 92.88 o 11 3 1 66.83 92.97 104.23 o 12 3 1 256.59 59.62 404.96 o 13 3 1 144.14 236.80 120.16 o 14 3 1 122.88 -45.24 83.84 o 15 3 1 48.64 186.94 132.55 o 16 3 1 53.06 42.77 97.27 o -11 4 1 136.64 45.95 110.03 o -10 4 1 48.98 57.92 101.11 o -9 4 1 99.28 196.79 98.24 o -8 4 1 37.43 50.93 99.66 o -7 4 1 0.37 90.21 86.77 o -6 4 1 45.11 -4.00 94.66 o -5 4 1 32.83 -152.13 178.01 o -4 4 1 16.26 167.74 60.34 o -3 4 1 48.26 -1.39 84.05 o -2 4 1 94.55 137.95 68.09 o -1 4 1 64.04 204.01 70.84 o 0 4 1 133.91 261.92 70.19 o 1 4 1 71.65 99.93 32.27 o 2 4 1 5.63 126.48 97.27 o 3 4 1 5.85 -62.42 98.32 o 4 4 1 2.49 131.94 227.21 o 5 4 1 0.13 -7.25 89.54 o 6 4 1 108.75 82.06 100.01 o 7 4 1 23.13 110.67 92.80 o 8 4 1 4.34 41.47 247.94 o 9 4 1 44.35 177.60 109.35 o 10 4 1 47.36 2.91 144.22 o 11 4 1 0.03 37.33 154.97 o -20 0 2 1001.78 1335.80 325.07 o -18 0 2 1309.89 1433.78 269.48 o -16 0 2 1972.43 2288.45 307.70 o -14 0 2 1392.45 1535.89 218.36 o -12 0 2 6976.72 6315.02 786.58 o -10 0 2 14402.63 14628.39 1791.16 o -8 0 2 22380.04 23091.51 2832.50 o -6 0 2 1808.55 1947.76 258.61 o -4 0 2 16627.44 16909.62 2079.19 o -2 0 2 10956.82 10940.67 1709.74 o 2 0 2 7196.96 8099.85 994.17 o 4 0 2 17431.66 17118.96 2101.19 o 6 0 2 606.34 742.77 104.04 o 8 0 2 2122.95 2260.28 292.81 o 10 0 2 2124.05 2503.68 326.93 o 12 0 2 472.61 570.24 106.09 o 14 0 2 205.64 259.80 75.63 o 16 0 2 284.29 402.96 91.66 o 18 0 2 126.04 181.03 49.00 o -20 1 2 33.67 97.78 109.43 o -19 1 2 25.31 1.38 92.25 o -18 1 2 19.20 65.77 90.38 o -17 1 2 2.83 61.83 59.20 o -16 1 2 32.22 49.61 61.97 o -15 1 2 123.45 45.02 65.32 o -14 1 2 139.82 34.78 60.28 o -13 1 2 77.37 126.07 66.05 o -12 1 2 31.50 123.96 60.28 o -11 1 2 1000.76 1194.48 149.39 o -10 1 2 3.62 71.19 39.93 o -9 1 2 2018.35 2152.26 242.72 o -8 1 2 2161.47 2580.00 280.98 o -7 1 2 1645.99 1521.34 194.00 o -6 1 2 181.52 227.57 41.65 o -5 1 2 19572.85 20638.34 2174.99 o -4 1 2 217.60 274.07 44.29 o -3 1 2 8077.42 8497.40 901.87 o -2 1 2 11908.63 14209.29 1776.90 o -1 1 2 9608.32 9528.24 1503.10 o 0 1 2 16.41 84.87 33.68 o 1 1 2 16268.02 18716.54 2198.85 o 2 1 2 2915.70 2891.74 295.22 o 3 1 2 11161.63 12261.19 1241.19 o 4 1 2 32.48 29.86 22.99 o 5 1 2 16269.67 17157.52 1602.63 o 6 1 2 60.25 81.55 26.97 o 7 1 2 5624.40 5536.19 516.84 o 8 1 2 8.33 20.73 30.07 o 9 1 2 4816.89 5070.89 480.49 o 10 1 2 18.55 75.30 38.84 o 11 1 2 1934.96 1882.59 182.97 o 12 1 2 1.21 43.38 41.79 o 13 1 2 3697.16 3625.65 345.12 o 14 1 2 428.28 473.33 66.52 o 15 1 2 2277.91 2293.98 315.59 o 16 1 2 11.34 41.99 61.93 o 17 1 2 485.24 551.70 113.15 o 18 1 2 54.43 83.75 55.78 o 19 1 2 339.05 257.00 82.11 o 20 1 2 17.97 -25.72 80.16 o -18 2 2 587.64 528.70 153.85 o -17 2 2 69.61 36.53 100.44 o -16 2 2 129.01 38.70 96.50 o -15 2 2 22.22 74.58 94.83 o -14 2 2 376.91 313.80 130.28 o -13 2 2 4.95 75.34 62.36 o -12 2 2 1726.15 1678.78 246.86 o -11 2 2 6.42 38.61 57.08 o -10 2 2 2206.81 1751.47 589.32 o -9 2 2 386.42 343.61 97.90 o -8 2 2 3375.07 3214.85 566.81 o -7 2 2 269.09 270.69 51.56 o -6 2 2 1560.44 1544.67 207.62 o -5 2 2 84.43 78.81 50.94 o -4 2 2 2536.28 2541.48 269.53 o -3 2 2 102.39 79.37 31.63 o -2 2 2 2513.16 2535.01 983.39 o -1 2 2 910.56 830.06 188.42 o 0 2 2 7450.79 8417.83 1243.14 o 1 2 2 1582.68 1698.99 262.43 o 2 2 2 2473.01 2525.21 305.69 o 3 2 2 328.33 337.10 58.35 o 4 2 2 25.38 84.84 37.24 o 5 2 2 588.51 541.72 108.58 o 6 2 2 2279.39 1954.20 287.56 o 7 2 2 18.48 11.10 52.73 o 8 2 2 325.74 384.15 67.05 o 9 2 2 194.63 185.39 49.53 o 10 2 2 312.49 363.54 67.77 o 11 2 2 39.62 77.85 87.08 o 12 2 2 35.34 29.26 80.46 o 13 2 2 19.14 -13.29 133.78 o 14 2 2 59.06 64.55 81.75 o 15 2 2 39.77 15.67 152.06 o 16 2 2 2.06 -81.57 81.57 o 17 2 2 15.53 -56.91 115.62 o 18 2 2 41.18 113.99 113.01 o -16 3 2 19.39 -72.67 98.74 o -15 3 2 25.54 184.91 247.01 o -14 3 2 0.10 2.65 107.42 o -13 3 2 146.86 28.39 93.12 o -12 3 2 8.82 62.90 96.21 o -11 3 2 2.99 6.37 93.46 o -10 3 2 216.30 59.02 201.92 o -9 3 2 61.41 142.88 130.67 o -8 3 2 9.19 30.14 53.92 o -7 3 2 22.08 -24.57 96.92 o -6 3 2 0.12 -51.41 51.41 o -5 3 2 156.74 114.76 65.42 o -4 3 2 601.17 674.10 101.00 o -3 3 2 6.50 9.32 34.14 o -2 3 2 8.33 52.24 61.25 o -1 3 2 151.36 65.03 92.68 o 0 3 2 55.99 33.51 55.26 o 1 3 2 367.93 386.24 139.08 o 2 3 2 354.31 297.71 65.72 o 3 3 2 809.83 835.15 117.59 o 4 3 2 119.86 119.06 59.25 o 5 3 2 10.62 46.47 39.87 o 6 3 2 351.56 392.29 146.28 o 7 3 2 327.24 142.77 321.75 o 8 3 2 138.42 154.36 96.99 o 9 3 2 137.05 169.77 108.77 o 10 3 2 0.49 62.74 94.78 o 11 3 2 304.37 193.90 324.40 o 12 3 2 0.67 55.57 98.54 o 13 3 2 194.13 57.71 129.16 o 14 3 2 126.80 -76.25 83.44 o 15 3 2 30.85 32.21 95.67 o 16 3 2 5.68 150.20 95.96 o -11 4 2 30.01 -101.93 101.93 o -10 4 2 23.67 135.14 120.35 o -9 4 2 7.00 -54.95 87.05 o -8 4 2 41.00 -11.46 120.09 o -7 4 2 14.61 -81.96 81.96 o -6 4 2 0.13 -22.87 85.51 o -5 4 2 2.46 185.28 102.23 o -4 4 2 43.20 -26.99 93.52 o -3 4 2 61.05 27.17 133.13 o -2 4 2 121.60 139.64 81.17 o -1 4 2 1.99 -17.75 66.90 o 0 4 2 9.19 23.50 38.76 o 1 4 2 28.34 106.11 40.72 o 2 4 2 38.66 104.77 97.16 o 3 4 2 22.34 58.26 179.99 o 4 4 2 69.34 -114.72 114.72 o 5 4 2 0.03 113.49 106.40 o 6 4 2 2.69 96.56 110.17 o 7 4 2 43.68 62.98 110.84 o 8 4 2 21.16 27.67 204.31 o 9 4 2 0.13 102.65 124.83 o 10 4 2 0.06 56.54 101.85 o 11 4 2 7.37 -54.68 161.34 o -19 0 3 628.35 543.63 179.99 o -17 0 3 606.92 577.13 155.43 o -15 0 3 576.04 760.93 126.80 o -13 0 3 3679.10 3645.59 464.63 o -11 0 3 7451.57 7508.29 931.59 o -9 0 3 849.67 878.42 131.07 o -7 0 3 2446.43 2456.00 309.89 o -5 0 3 19570.35 18804.42 2312.14 o -3 0 3 11719.37 12417.27 1953.32 o -1 0 3 5741.91 6116.31 874.57 o 1 0 3 8347.47 9197.74 1906.58 o 3 0 3 14189.93 15457.07 1891.76 o 5 0 3 4344.48 4049.14 503.50 o 7 0 3 3337.35 3138.77 348.26 o 9 0 3 562.26 604.51 98.95 o 11 0 3 199.03 395.96 82.83 o 13 0 3 135.01 142.77 140.11 o 15 0 3 981.00 1042.81 157.89 o 17 0 3 2.41 122.81 56.32 o -20 1 3 47.22 202.27 117.17 o -19 1 3 43.00 113.81 107.81 o -18 1 3 292.21 316.52 124.11 o -17 1 3 47.06 8.19 57.18 o -16 1 3 267.83 349.79 92.29 o -15 1 3 0.61 -26.96 58.17 o -14 1 3 471.84 524.66 110.04 o -13 1 3 65.09 67.83 66.54 o -12 1 3 1800.04 1825.30 256.18 o -11 1 3 11.06 32.68 35.24 o -10 1 3 2223.74 2238.97 253.50 o -9 1 3 244.24 321.50 58.47 o -8 1 3 7301.17 7097.01 754.17 o -7 1 3 3079.44 3148.99 339.10 o -6 1 3 10809.43 10211.55 1070.84 o -5 1 3 306.78 304.11 45.17 o -4 1 3 7131.60 7278.24 767.46 o -3 1 3 1180.46 1253.57 140.99 o -2 1 3 289.95 423.82 69.21 o -1 1 3 462.77 603.55 88.38 o 0 1 3 3747.67 4062.16 644.86 o 1 1 3 44545.01 49495.28 4994.48 o 2 1 3 67307.20 74150.09 7490.66 o 3 1 3 58.43 28.77 20.38 o 4 1 3 1401.80 1311.54 139.03 o 5 1 3 150.50 136.33 33.77 o 6 1 3 4881.73 4724.05 445.84 o 7 1 3 1566.49 1694.33 169.38 o 8 1 3 2539.25 2715.77 259.56 o 9 1 3 14.99 61.34 46.74 o 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