#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:34:45 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181071 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/51/2215133.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_2215133_Fobs loop_ _publ_author_name 'Broker, Grant A.' 'Tiekink, Edward R. T.' _publ_section_title ; Bis(\m-pyridine-1-carbaldehyde azine-\k^2^N,N':\k^2^N'',N''')disilver(I) bis(methanesulfonate) ; _journal_coeditor_code HB2507 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2368 _journal_volume 63 _journal_year 2007 _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 105.605 _cell_angle_gamma 90.000 _cell_length_a 9.0168 _cell_length_b 19.1155 _cell_length_c 17.3967 _exptl_crystal_F_000 1648.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file hb2507Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' _26c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 443.75 _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 1 0 0 16.09 61.94 10.21 o 2 0 0 39702.53 40402.05 146.55 o 3 0 0 5418.82 5441.53 59.35 o 4 0 0 24783.35 24697.43 247.04 o 5 0 0 961.32 958.74 38.27 o 6 0 0 4737.36 4621.12 52.65 o 7 0 0 1145.57 1176.05 53.81 o 8 0 0 25554.91 25467.75 726.68 o 9 0 0 83.55 78.47 21.17 o 10 0 0 636.10 540.20 60.53 o 1 1 0 193.29 183.33 7.57 o 2 1 0 2003.96 1876.54 40.20 o 3 1 0 4631.92 4623.11 41.04 o 4 1 0 697.46 720.33 23.78 o 5 1 0 110.07 121.42 12.14 o 6 1 0 8928.52 9116.83 71.86 o 7 1 0 8.62 24.70 7.40 o 8 1 0 75.29 65.97 9.49 o 9 1 0 274.94 224.81 25.28 o 10 1 0 2369.12 2327.23 97.26 o 1 2 0 310.53 360.94 8.22 o 2 2 0 7286.78 7442.22 47.66 o 3 2 0 261.42 266.45 15.22 o 4 2 0 18043.61 17012.06 87.33 o 5 2 0 118.56 124.20 7.09 o 6 2 0 9.21 31.21 5.88 o 7 2 0 0.78 26.85 5.75 o 8 2 0 18301.09 19011.56 419.41 o 9 2 0 12.90 12.33 8.14 o 10 2 0 17.60 43.48 14.27 o 1 3 0 379.53 357.70 8.67 o 3 3 0 78.25 87.12 8.12 o 4 3 0 2707.83 2699.23 25.43 o 5 3 0 94.04 120.87 6.86 o 6 3 0 22538.51 22175.64 324.90 o 7 3 0 39.08 36.45 7.28 o 8 3 0 2940.85 3001.12 69.55 o 9 3 0 160.81 153.77 19.01 o 10 3 0 9271.35 10299.92 150.92 o 0 4 0 16500.65 15865.83 187.72 o 1 4 0 262.20 360.41 12.38 o 2 4 0 110657.15 110591.52 620.61 o 3 4 0 5198.03 5053.95 38.64 o 4 4 0 1998.50 1846.42 20.44 o 5 4 0 6498.33 6935.61 54.84 o 6 4 0 1402.94 1344.91 23.75 o 7 4 0 1729.12 1693.22 42.02 o 8 4 0 284.93 285.09 21.72 o 9 4 0 11.46 39.56 12.64 o 10 4 0 496.74 395.42 23.13 o 1 5 0 486.69 421.82 12.89 o 2 5 0 93080.33 89657.55 574.38 o 3 5 0 148.98 156.84 8.60 o 4 5 0 21.38 31.29 7.38 o 5 5 0 242.05 253.32 11.59 o 6 5 0 34583.11 35473.00 434.68 o 7 5 0 134.76 153.00 15.50 o 8 5 0 84.39 89.89 18.31 o 9 5 0 76.02 52.46 12.16 o 10 5 0 8361.87 9077.11 172.69 o 0 6 0 71760.29 69686.79 642.34 o 1 6 0 145.87 120.78 7.01 o 2 6 0 1533.83 1409.54 25.24 o 3 6 0 130.50 155.14 11.40 o 4 6 0 51478.05 54118.52 381.21 o 5 6 0 58.72 48.36 5.72 o 6 6 0 6993.32 7324.72 90.15 o 7 6 0 830.81 736.76 29.78 o 8 6 0 12497.68 12705.80 370.95 o 9 6 0 115.73 85.82 15.80 o 10 6 0 67.45 44.46 10.22 o 1 7 0 625.91 572.05 14.34 o 2 7 0 13007.04 12823.65 76.79 o 3 7 0 2632.51 2649.03 27.52 o 4 7 0 16113.10 16951.56 171.18 o 5 7 0 4332.67 4461.32 43.95 o 6 7 0 15942.39 16454.96 163.69 o 7 7 0 1706.07 1639.20 57.16 o 8 7 0 559.91 471.40 34.96 o 9 7 0 740.07 639.12 64.04 o 10 7 0 306.44 197.70 19.46 o 1 8 0 196.12 172.22 10.50 o 2 8 0 2608.29 2921.89 42.38 o 3 8 0 930.82 902.70 22.74 o 4 8 0 67676.03 68856.55 483.95 o 5 8 0 397.90 406.68 16.83 o 6 8 0 644.50 703.72 27.47 o 7 8 0 702.19 677.09 41.38 o 8 8 0 8987.76 9139.79 288.80 o 9 8 0 82.77 77.22 37.45 o 10 8 0 1641.71 1539.74 118.07 o 1 9 0 3557.90 3491.92 49.01 o 2 9 0 7072.92 7270.06 76.18 o 3 9 0 2147.47 2175.52 28.48 o 4 9 0 2950.29 3094.10 44.54 o 5 9 0 2417.19 2446.57 30.40 o 6 9 0 12330.70 12739.79 187.01 o 7 9 0 505.51 449.08 37.78 o 8 9 0 470.61 445.64 38.91 o 9 9 0 1334.07 1331.88 75.38 o 0 10 0 14081.50 13508.45 255.92 o 1 10 0 44.65 40.68 4.80 o 2 10 0 528.23 562.34 27.54 o 3 10 0 3382.28 3503.51 41.93 o 4 10 0 37317.61 38930.53 356.48 o 5 10 0 188.18 201.76 11.65 o 6 10 0 1083.80 1038.61 48.90 o 7 10 0 3523.76 3598.96 88.54 o 8 10 0 3212.55 3060.64 68.62 o 9 10 0 624.82 513.12 54.51 o 1 11 0 1041.91 987.90 29.89 o 2 11 0 32293.20 32891.38 263.95 o 3 11 0 888.99 986.55 27.27 o 4 11 0 1420.49 1390.89 42.99 o 5 11 0 282.40 278.58 15.59 o 6 11 0 30936.68 21751.80 3423.07 o 7 11 0 115.51 65.25 14.32 o 8 11 0 271.40 273.31 28.81 o 9 11 0 1512.81 1330.17 142.64 o 0 12 0 156.63 262.91 19.01 o 1 12 0 8081.64 8118.23 66.40 o 2 12 0 722.73 751.18 28.19 o 3 12 0 1518.07 1643.05 33.14 o 4 12 0 51.77 71.02 7.83 o 5 12 0 367.31 338.23 14.83 o 6 12 0 1.57 17.22 8.31 o 7 12 0 7912.85 8474.90 156.75 o 8 12 0 125.92 59.99 13.61 o 9 12 0 1285.63 1311.67 166.96 o 1 13 0 3540.43 3584.54 41.13 o 2 13 0 24164.44 24480.14 368.89 o 3 13 0 1895.37 1962.99 43.14 o 4 13 0 0.94 12.62 5.75 o 5 13 0 565.51 532.72 32.62 o 6 13 0 12242.75 12965.17 191.11 o 7 13 0 58.53 33.01 9.99 o 8 13 0 1157.80 1057.64 88.55 o 0 14 0 11874.07 12161.11 114.03 o 1 14 0 9269.05 9159.18 243.88 o 2 14 0 2924.98 2992.56 42.23 o 3 14 0 776.92 799.52 30.45 o 4 14 0 12276.70 12762.86 157.08 o 5 14 0 132.01 129.14 13.26 o 6 14 0 24.50 32.72 10.48 o 7 14 0 1235.22 997.59 98.62 o 8 14 0 2703.15 2587.49 498.87 o 1 15 0 6706.66 7000.58 61.21 o 2 15 0 3205.51 3241.39 49.25 o 3 15 0 2877.86 2982.73 51.40 o 4 15 0 37.02 32.55 5.36 o 5 15 0 2750.57 2619.80 65.40 o 6 15 0 1453.74 1466.27 78.16 o 7 15 0 2.68 35.27 25.18 o 8 15 0 11.37 21.87 17.17 o 0 16 0 19228.17 19600.91 262.65 o 1 16 0 3100.27 3116.40 52.07 o 2 16 0 20.42 27.98 8.77 o 3 16 0 1407.75 1292.39 48.90 o 4 16 0 8466.23 8855.03 130.71 o 5 16 0 1748.42 1690.29 64.72 o 6 16 0 408.61 315.43 36.49 o 7 16 0 1347.31 1116.66 45.84 o 1 17 0 4098.23 4286.34 63.33 o 2 17 0 1934.63 1900.82 45.74 o 3 17 0 1042.97 1078.41 47.00 o 4 17 0 483.04 450.43 40.01 o 5 17 0 2344.52 2375.29 41.89 o 6 17 0 452.26 386.81 30.49 o 7 17 0 307.20 212.28 30.42 o 0 18 0 13480.81 14257.22 215.67 o 1 18 0 6616.29 6989.99 88.90 o 2 18 0 19.49 35.06 7.48 o 3 18 0 388.21 396.57 27.60 o 4 18 0 2298.19 2259.74 73.31 o 5 18 0 4.25 21.73 22.35 o 6 18 0 547.20 496.81 52.85 o 1 19 0 161.14 148.76 11.16 o 2 19 0 4742.67 4908.52 45.93 o 3 19 0 21.87 19.76 16.18 o 4 19 0 298.88 226.15 20.23 o 5 19 0 1707.05 1694.65 64.30 o 6 19 0 4570.17 4681.67 82.52 o 0 20 0 243.83 201.88 21.48 o 1 20 0 713.94 692.49 45.14 o 2 20 0 376.81 345.62 29.19 o 3 20 0 8362.03 9210.02 198.77 o 4 20 0 27.91 16.72 9.51 o 5 20 0 2929.03 3065.01 128.78 o 1 21 0 401.02 392.22 33.08 o 2 21 0 5935.59 6336.01 132.36 o 3 21 0 723.19 755.05 79.82 o 4 21 0 1000.82 999.98 67.46 o 0 22 0 1312.16 1137.11 125.96 o 1 22 0 104.49 124.99 14.18 o 2 22 0 202.70 202.80 19.12 o 3 22 0 4632.73 5203.87 166.57 o 1 23 0 1845.92 1989.69 189.33 o 2 23 0 550.54 418.05 33.37 o -10 1 1 54.16 51.23 12.21 o -9 1 1 12278.20 12992.83 234.41 o -8 1 1 101.31 98.76 9.29 o -7 1 1 573.74 574.53 18.67 o -6 1 1 77.42 71.81 11.56 o -5 1 1 20626.15 19958.64 82.84 o -4 1 1 1740.26 1736.25 21.70 o -3 1 1 20964.31 21843.32 104.03 o -2 1 1 1391.69 1435.66 23.40 o 0 1 1 22.00 1.15 5.65 o 1 1 1 3112.27 3066.63 25.08 o 2 1 1 169.83 219.04 14.20 o 3 1 1 62355.86 60429.82 145.21 o 4 1 1 39.41 43.55 6.55 o 5 1 1 7166.97 7364.44 93.76 o 6 1 1 150.93 120.71 9.44 o 7 1 1 20343.92 19897.79 196.94 o 8 1 1 0.96 14.41 5.80 o 9 1 1 1704.22 1768.70 100.22 o 10 1 1 6.85 34.86 10.97 o -10 2 1 110.26 90.09 20.14 o -9 2 1 4641.27 4955.95 128.08 o -8 2 1 165.65 163.16 12.50 o -7 2 1 6480.34 6327.21 54.07 o -6 2 1 199.37 208.33 12.06 o -5 2 1 164.25 208.67 10.43 o -4 2 1 795.13 824.02 22.35 o -3 2 1 11385.68 9793.26 51.16 o -2 2 1 239.52 360.55 21.28 o -1 2 1 269.01 222.21 10.61 o 0 2 1 239.74 214.56 22.95 o 1 2 1 4462.14 4087.66 30.06 o 2 2 1 25.04 42.26 6.10 o 3 2 1 28064.66 27532.34 107.69 o 4 2 1 321.53 376.80 18.15 o 5 2 1 56945.16 58155.43 311.21 o 6 2 1 239.32 258.56 11.33 o 7 2 1 285.67 265.35 11.89 o 8 2 1 56.04 48.12 7.58 o 9 2 1 459.42 382.18 32.57 o 10 2 1 376.72 342.96 26.80 o -10 3 1 2.44 19.04 8.55 o -9 3 1 5569.54 5667.74 129.47 o -8 3 1 1.59 30.88 7.29 o -7 3 1 76.13 70.03 7.30 o -6 3 1 239.85 229.57 12.83 o -5 3 1 9009.67 8843.11 64.67 o -4 3 1 75.33 109.62 8.61 o -3 3 1 8462.22 8647.30 46.14 o -2 3 1 2460.73 2485.42 27.46 o -1 3 1 367.82 373.28 13.44 o 0 3 1 2.00 5.80 5.21 o 1 3 1 16074.19 15411.73 71.74 o 2 3 1 5681.48 5505.52 48.95 o 3 3 1 14046.80 13705.10 68.34 o 4 3 1 776.41 818.01 34.56 o 5 3 1 595.72 646.50 29.69 o 6 3 1 272.37 272.52 12.46 o 7 3 1 2001.49 2014.78 56.47 o 8 3 1 104.68 79.19 11.23 o 9 3 1 114.30 73.19 16.80 o 10 3 1 25.75 34.54 8.57 o -10 4 1 0.29 14.31 8.55 o -9 4 1 1298.29 1360.15 76.27 o -8 4 1 21.02 18.21 8.02 o -7 4 1 22350.22 21794.30 1092.48 o -6 4 1 99.98 110.89 8.50 o -5 4 1 2489.90 2780.64 42.44 o -4 4 1 112.43 129.80 7.13 o -3 4 1 196909.94 194922.08 1430.77 o -2 4 1 6883.29 6496.84 49.58 o -1 4 1 1480.38 1539.50 22.00 o 0 4 1 2185.48 2166.95 26.45 o 1 4 1 13940.81 13100.62 94.24 o 2 4 1 3491.03 3513.02 33.67 o 3 4 1 15237.60 15743.31 115.47 o 4 4 1 975.18 1028.00 33.09 o 5 4 1 37261.39 36445.50 322.48 o 6 4 1 404.09 418.88 18.90 o 7 4 1 5500.15 5863.06 62.91 o 8 4 1 7.55 22.38 8.42 o 9 4 1 7541.92 8022.50 110.20 o 10 4 1 10.06 32.32 8.55 o -10 5 1 2.25 29.52 9.82 o -9 5 1 1001.13 1007.22 77.79 o -8 5 1 481.42 446.21 31.32 o -7 5 1 1487.48 1639.03 53.56 o -6 5 1 2144.11 2210.72 32.92 o -5 5 1 9.24 24.73 5.31 o -4 5 1 2146.37 2032.61 22.43 o -3 5 1 8102.24 8721.06 63.06 o -2 5 1 3709.58 3676.79 51.80 o -1 5 1 211.89 241.77 13.71 o 0 5 1 311.53 379.65 17.73 o 1 5 1 30047.61 30334.46 187.53 o 2 5 1 3340.56 3245.39 31.89 o 3 5 1 30013.47 30815.29 108.91 o 4 5 1 14.53 22.96 5.22 o 5 5 1 1976.30 1928.20 30.49 o 6 5 1 578.45 608.31 21.76 o 7 5 1 6492.76 6448.83 70.52 o 8 5 1 268.65 233.68 18.71 o 9 5 1 58.32 46.56 21.12 o 10 5 1 664.83 506.25 52.27 o -10 6 1 9.43 24.70 13.31 o -9 6 1 409.88 385.78 35.23 o -8 6 1 111.86 76.05 11.88 o -7 6 1 17101.31 18018.30 193.21 o -6 6 1 25.72 30.30 4.72 o -5 6 1 339.92 372.98 17.57 o -4 6 1 937.97 892.18 25.14 o -3 6 1 34114.75 34679.24 176.60 o -2 6 1 623.84 690.61 17.36 o -1 6 1 2179.32 1911.10 25.32 o 0 6 1 5798.21 5228.16 45.79 o 1 6 1 24744.22 22598.51 168.21 o 2 6 1 640.94 568.38 15.25 o 3 6 1 2887.47 3091.22 44.25 o 4 6 1 2288.91 2287.59 27.15 o 5 6 1 17220.88 17715.03 143.22 o 6 6 1 28.35 31.43 4.99 o 7 6 1 2904.70 2665.83 60.91 o 8 6 1 139.52 142.19 12.08 o 9 6 1 7722.56 8450.91 117.95 o 10 6 1 25.45 26.62 11.37 o -10 7 1 77.53 54.54 12.21 o -9 7 1 7755.83 8029.24 119.86 o -8 7 1 228.34 190.55 16.22 o -7 7 1 1015.49 987.60 43.50 o -6 7 1 560.55 560.90 21.57 o -5 7 1 57013.43 58977.94 295.34 o -4 7 1 5667.50 5748.30 48.55 o -3 7 1 4.43 16.43 7.35 o -2 7 1 7.73 15.49 4.03 o -1 7 1 47405.76 45045.76 582.83 o 0 7 1 2508.23 2316.29 24.65 o 1 7 1 7195.49 7274.83 67.47 o 2 7 1 1180.27 1209.62 28.18 o 3 7 1 21329.35 20340.35 102.58 o 4 7 1 61.58 84.43 7.40 o 5 7 1 4680.89 4874.63 46.49 o 6 7 1 326.29 337.65 18.22 o 7 7 1 14091.43 14850.73 243.42 o 8 7 1 14.53 22.41 6.34 o 9 7 1 1951.07 1646.42 128.11 o 10 7 1 0.29 32.73 15.76 o -10 8 1 805.24 706.69 46.63 o -9 8 1 1065.23 919.50 113.18 o -8 8 1 828.48 828.59 64.52 o -7 8 1 3514.81 3448.33 62.80 o -6 8 1 714.83 676.92 26.09 o -5 8 1 5451.20 5243.89 128.50 o -4 8 1 9627.21 9666.90 76.21 o -3 8 1 119.18 132.91 10.96 o -2 8 1 3271.46 3012.78 44.92 o -1 8 1 8140.22 7656.33 82.46 o 0 8 1 8288.94 8497.13 44.65 o 1 8 1 1606.03 1580.39 34.57 o 2 8 1 4.43 15.17 7.13 o 3 8 1 11650.69 12230.89 110.11 o 4 8 1 11415.05 12269.43 93.33 o 5 8 1 225.15 289.40 13.75 o 6 8 1 1248.85 1262.04 50.08 o 7 8 1 13.21 27.70 9.68 o 8 8 1 464.69 419.14 38.81 o 9 8 1 63.65 60.77 25.43 o -10 9 1 19.23 19.93 12.67 o -9 9 1 6694.23 7274.98 168.80 o -8 9 1 323.12 243.32 33.55 o -7 9 1 276.64 255.09 17.66 o -6 9 1 314.70 319.06 13.46 o -5 9 1 26337.68 26427.78 296.92 o -4 9 1 1665.79 1529.86 28.30 o -3 9 1 1074.33 1171.90 26.57 o -2 9 1 1463.35 1466.79 24.93 o -1 9 1 68692.70 66992.47 414.87 o 0 9 1 21.36 21.57 6.04 o 1 9 1 2572.19 2556.14 33.41 o 2 9 1 1191.37 1187.91 24.07 o 3 9 1 17526.02 16860.83 107.07 o 4 9 1 1134.90 1181.04 27.78 o 5 9 1 438.84 474.11 17.88 o 6 9 1 2675.52 2686.13 58.57 o 7 9 1 7605.65 7930.82 112.66 o 8 9 1 77.61 62.50 11.62 o 9 9 1 1547.92 1322.79 110.95 o -9 10 1 66.75 10.80 22.37 o -8 10 1 7.56 22.73 6.86 o -7 10 1 12428.06 12840.44 196.94 o -6 10 1 586.64 523.97 20.09 o -5 10 1 311.67 305.38 15.81 o -4 10 1 4718.91 4588.02 42.28 o -3 10 1 20610.85 20150.51 165.54 o -2 10 1 5001.35 4784.34 46.19 o -1 10 1 11.95 6.30 5.86 o 0 10 1 667.02 758.88 24.47 o 1 10 1 11992.94 11159.80 77.08 o 2 10 1 1259.39 1393.68 43.73 o 3 10 1 13358.20 14787.57 137.12 o 4 10 1 4315.92 4303.16 50.26 o 5 10 1 10792.17 11090.29 98.49 o 6 10 1 965.87 1017.31 38.40 o 7 10 1 879.56 753.55 53.14 o 8 10 1 273.46 149.56 27.58 o 9 10 1 4679.60 4812.56 125.59 o -9 11 1 4020.73 3935.26 97.10 o -8 11 1 628.77 504.53 50.54 o -7 11 1 2099.11 2008.55 42.54 o -6 11 1 3813.59 3840.64 60.28 o -5 11 1 8759.88 9088.70 96.17 o -4 11 1 5393.43 5271.67 52.90 o -3 11 1 2832.04 2606.58 41.72 o -2 11 1 2338.08 2308.48 30.12 o -1 11 1 9273.70 9030.53 61.40 o 0 11 1 3973.86 3979.97 50.93 o 1 11 1 311.66 306.92 26.33 o 2 11 1 3021.63 3156.52 36.59 o 3 11 1 5730.57 5589.01 54.16 o 4 11 1 11.34 14.14 6.63 o 5 11 1 1370.92 1395.29 55.25 o 6 11 1 4137.51 4185.62 71.06 o 7 11 1 1041.75 894.73 61.15 o 8 11 1 652.78 587.19 71.56 o 9 11 1 315.69 230.66 23.78 o -9 12 1 242.16 193.24 38.92 o -8 12 1 17.27 39.59 23.76 o -7 12 1 17898.71 18974.01 302.17 o -6 12 1 181.67 127.94 11.51 o -5 12 1 603.26 573.36 24.97 o -4 12 1 37.82 37.49 4.96 o -3 12 1 15563.89 15900.31 114.61 o -2 12 1 14.08 21.34 4.19 o -1 12 1 280.98 266.82 11.20 o 0 12 1 336.19 396.12 16.52 o 1 12 1 57078.89 56135.86 757.88 o 2 12 1 1250.76 1277.99 32.27 o 3 12 1 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