#------------------------------------------------------------------------------ #$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $ #$Revision: 66590 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/50/2235023.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_2235023_Fobs loop_ _publ_author_name 'Xu, Jing' 'Gao, Shan' 'Ng, Seik Weng' 'Tiekink, Edward R. T.' _publ_section_title ; Bis[(E)-N-(pyridin-3-ylmethylidene)hydroxylamine-\kN^1^]silver(I) perchlorate ; _journal_coeditor_code HB6761 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m735 _journal_page_last m736 _journal_volume 68 _journal_year 2012 _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 111.531 _cell_angle_gamma 90.000 _cell_length_a 15.3816 _cell_length_b 8.2336 _cell_length_c 13.3204 _exptl_crystal_F_000 896.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file hb6761Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 483.67 _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 4 0 0 24646.82 25232.42 434.84 o 6 0 0 41598.66 42443.16 1312.06 o 8 0 0 8546.50 7903.98 160.88 o 10 0 0 23216.24 22676.55 689.23 o 12 0 0 7306.01 6796.63 163.14 o 14 0 0 3666.33 3414.88 114.35 o 16 0 0 1032.44 1282.14 125.45 o 18 0 0 608.67 731.13 75.85 o 3 1 0 383.38 366.40 15.60 o 5 1 0 3264.26 2567.41 124.27 o 7 1 0 3324.60 2911.51 84.90 o 9 1 0 4760.38 4394.69 163.22 o 11 1 0 3131.92 3152.16 99.38 o 13 1 0 1205.68 1290.67 47.24 o 15 1 0 795.84 864.44 50.67 o 17 1 0 323.27 259.31 41.52 o 0 2 0 60900.12 63287.48 892.71 o 2 2 0 20946.06 21040.22 244.74 o 4 2 0 6285.91 6416.51 110.81 o 6 2 0 10178.82 9799.01 200.20 o 8 2 0 7056.56 6731.95 151.11 o 10 2 0 6041.59 6039.45 219.22 o 12 2 0 2656.91 2637.23 143.23 o 14 2 0 1473.19 1469.27 75.36 o 16 2 0 654.81 792.59 53.85 o 18 2 0 257.95 266.81 41.50 o 1 3 0 7680.34 7359.48 73.84 o 3 3 0 3955.93 3845.14 55.43 o 5 3 0 2356.63 2182.37 42.99 o 7 3 0 5650.29 5365.67 78.93 o 9 3 0 2192.24 2192.96 52.39 o 11 3 0 507.78 576.62 44.74 o 13 3 0 1072.22 1020.02 51.14 o 15 3 0 163.81 127.32 33.40 o 17 3 0 196.61 130.09 47.03 o 0 4 0 20.20 55.13 14.69 o 2 4 0 190.39 214.30 12.26 o 4 4 0 4762.68 5401.28 131.27 o 6 4 0 720.73 617.95 24.14 o 8 4 0 380.39 368.49 23.71 o 10 4 0 638.07 642.54 32.70 o 12 4 0 110.36 99.13 28.45 o 14 4 0 103.33 95.32 28.28 o 16 4 0 83.89 104.03 30.64 o 1 5 0 276.65 245.45 14.49 o 3 5 0 713.35 693.35 25.44 o 5 5 0 544.59 484.25 31.88 o 7 5 0 675.09 718.06 36.39 o 9 5 0 128.11 186.21 21.27 o 11 5 0 98.88 108.76 22.13 o 13 5 0 54.66 53.51 24.69 o 15 5 0 4.85 24.04 20.58 o 0 6 0 6483.58 6837.02 256.15 o 2 6 0 282.43 308.79 17.58 o 4 6 0 429.51 439.93 26.44 o 6 6 0 724.57 870.62 45.62 o 8 6 0 136.37 236.54 39.19 o 10 6 0 378.49 425.01 100.42 o 12 6 0 142.12 167.10 42.78 o 14 6 0 125.67 171.78 33.49 o 1 7 0 81.78 75.18 18.60 o 3 7 0 543.23 559.20 27.18 o 5 7 0 193.66 197.50 20.57 o 7 7 0 15.62 38.91 20.74 o 9 7 0 11.05 18.58 21.97 o 11 7 0 47.13 22.18 29.81 o 13 7 0 1.93 30.20 29.37 o 0 8 0 416.24 474.06 46.56 o 2 8 0 255.26 244.60 33.94 o 4 8 0 207.67 183.52 29.62 o 6 8 0 440.33 383.64 54.08 o 8 8 0 187.95 58.54 36.91 o 10 8 0 140.02 80.62 26.87 o 12 8 0 37.02 13.92 22.82 o 1 9 0 219.99 231.01 29.24 o 3 9 0 60.33 63.88 25.51 o 5 9 0 121.05 85.80 24.49 o 7 9 0 204.36 109.49 45.65 o 9 9 0 88.27 38.73 29.53 o 0 10 0 88.14 86.35 35.73 o 2 10 0 1.57 4.37 27.11 o 4 10 0 44.00 74.44 44.42 o 6 10 0 2.77 7.93 26.63 o -17 1 1 2.53 -15.52 19.65 o -15 1 1 103.59 122.76 24.83 o -13 1 1 44.97 95.13 24.42 o -11 1 1 286.19 294.19 21.94 o -9 1 1 6.61 4.88 8.79 o -7 1 1 2504.28 2498.70 80.47 o -5 1 1 985.60 951.59 28.34 o -3 1 1 2375.82 2173.20 43.96 o -1 1 1 2851.58 2774.75 21.89 o 1 1 1 4203.81 4334.95 75.96 o 3 1 1 1507.73 1434.72 28.52 o 5 1 1 1454.27 1260.62 49.78 o 7 1 1 136.57 191.01 20.47 o 9 1 1 58.73 23.53 14.07 o 11 1 1 250.61 288.06 27.82 o 13 1 1 24.30 62.84 26.04 o 15 1 1 123.13 138.33 38.22 o 17 1 1 68.08 111.80 36.36 o -18 2 1 314.89 397.93 54.42 o -16 2 1 255.13 260.92 55.62 o -14 2 1 538.73 454.11 42.78 o -12 2 1 3908.65 3805.20 140.80 o -10 2 1 2258.30 2416.44 71.13 o -8 2 1 6783.77 6680.20 105.47 o -6 2 1 6494.71 6228.13 95.42 o -4 2 1 1107.02 929.91 27.95 o -2 2 1 22817.02 22080.32 302.63 o 0 2 1 32698.16 32896.75 696.78 o 2 2 1 25023.47 24541.39 304.89 o 4 2 1 6807.27 6168.37 146.34 o 6 2 1 4492.22 4394.56 72.10 o 8 2 1 4152.83 4004.10 72.41 o 10 2 1 788.23 736.99 69.29 o 12 2 1 1582.91 1475.99 62.94 o 14 2 1 1661.83 1580.08 65.49 o 16 2 1 214.27 166.91 42.16 o -17 3 1 38.12 48.08 29.16 o -15 3 1 197.89 243.05 29.71 o -13 3 1 2776.12 3248.89 144.52 o -11 3 1 8.54 -10.20 15.83 o -9 3 1 4752.30 4640.19 78.27 o -7 3 1 5439.45 5491.85 85.60 o -5 3 1 64.96 57.89 12.33 o -3 3 1 12393.63 13953.14 156.81 o -1 3 1 1576.53 1728.48 23.61 o 1 3 1 5539.46 5682.09 56.16 o 3 3 1 4435.58 4026.62 58.70 o 5 3 1 10061.75 10083.78 172.05 o 7 3 1 3883.57 3537.16 74.35 o 9 3 1 626.07 623.97 38.24 o 11 3 1 530.63 582.39 42.01 o 13 3 1 699.05 882.09 63.04 o 15 3 1 511.19 470.43 87.35 o 17 3 1 119.83 35.40 28.04 o -16 4 1 288.74 317.92 41.77 o -14 4 1 1566.26 1765.50 194.74 o -12 4 1 2805.87 2850.08 206.77 o -10 4 1 1035.62 1140.04 36.25 o -8 4 1 6398.14 6461.89 120.84 o -6 4 1 3983.48 3776.08 67.86 o -4 4 1 3972.36 3354.68 87.31 o -2 4 1 22354.34 22469.21 266.80 o 0 4 1 7103.23 6499.95 83.75 o 2 4 1 7568.04 7042.36 94.99 o 4 4 1 3445.61 3057.69 56.19 o 6 4 1 5968.18 6350.62 86.38 o 8 4 1 6179.69 6652.92 112.87 o 10 4 1 603.47 756.44 37.77 o 12 4 1 1539.82 1812.05 128.69 o 14 4 1 1177.48 1403.22 171.42 o 16 4 1 256.06 302.59 45.84 o -15 5 1 470.31 546.82 103.55 o -13 5 1 1045.15 1237.86 115.91 o -11 5 1 853.80 944.33 39.97 o -9 5 1 579.22 611.23 33.55 o -7 5 1 2559.81 2585.02 60.51 o -5 5 1 3147.73 3311.72 53.51 o -3 5 1 6121.17 6017.50 70.08 o -1 5 1 5176.23 5366.55 74.92 o 1 5 1 1854.15 1838.76 31.80 o 3 5 1 904.27 849.22 33.56 o 5 5 1 2878.24 2854.21 65.96 o 7 5 1 6015.47 5966.73 166.28 o 9 5 1 678.67 773.98 48.00 o 11 5 1 809.06 898.22 41.32 o 13 5 1 333.05 365.59 52.53 o 15 5 1 356.23 426.95 95.13 o -14 6 1 338.65 421.36 54.22 o -12 6 1 705.99 854.46 64.66 o -10 6 1 104.09 90.34 26.45 o -8 6 1 614.20 706.66 44.90 o -6 6 1 1538.03 1723.98 42.61 o -4 6 1 2135.31 2356.91 44.15 o -2 6 1 5234.99 5279.29 91.50 o 0 6 1 860.61 930.83 42.59 o 2 6 1 49.26 52.01 12.55 o 4 6 1 1314.78 1491.16 41.36 o 6 6 1 2360.43 2511.55 66.89 o 8 6 1 1180.10 1216.16 53.63 o 10 6 1 566.01 684.72 64.50 o 12 6 1 195.79 200.99 53.29 o 14 6 1 83.72 100.34 29.59 o -13 7 1 496.56 537.57 108.28 o -11 7 1 213.63 234.58 58.43 o -9 7 1 681.73 792.99 42.70 o -7 7 1 232.78 259.96 28.33 o -5 7 1 2217.11 2277.46 50.34 o -3 7 1 3399.50 3426.98 69.82 o -1 7 1 840.40 946.65 36.04 o 1 7 1 2816.81 2902.84 64.05 o 3 7 1 75.98 69.50 15.19 o 5 7 1 1388.98 1451.96 49.65 o 7 7 1 1944.25 2263.10 64.03 o 9 7 1 447.70 336.10 150.20 o 11 7 1 398.26 165.41 106.02 o 13 7 1 96.94 102.51 51.51 o -12 8 1 9.09 2.04 20.64 o -10 8 1 5.14 11.31 18.57 o -8 8 1 4.04 6.80 18.08 o -6 8 1 0.24 15.67 17.16 o -4 8 1 114.32 95.52 20.64 o -2 8 1 91.06 59.51 22.64 o 0 8 1 86.66 79.66 24.03 o 2 8 1 8.26 11.63 17.14 o 4 8 1 0.33 16.98 18.37 o 6 8 1 32.23 25.68 21.54 o 8 8 1 85.59 30.13 21.63 o 10 8 1 0.29 -24.11 28.45 o -9 9 1 108.70 37.05 28.03 o -7 9 1 11.80 16.88 23.33 o -5 9 1 182.17 79.50 28.41 o -3 9 1 204.57 131.31 37.29 o -1 9 1 76.30 97.92 33.31 o 1 9 1 241.80 206.18 32.16 o 3 9 1 170.25 136.50 42.91 o 5 9 1 63.19 56.24 22.71 o 7 9 1 145.14 79.00 29.98 o 9 9 1 11.61 43.05 26.99 o -6 10 1 2.15 -4.22 21.87 o -4 10 1 3.50 -14.88 24.72 o -2 10 1 24.25 36.77 26.64 o 0 10 1 1.82 17.51 21.95 o 2 10 1 1.49 7.28 19.78 o 4 10 1 4.42 28.15 26.15 o 6 10 1 8.47 9.44 25.30 o -18 0 2 823.85 963.29 85.90 o -16 0 2 2979.32 3130.57 131.79 o -14 0 2 2715.52 2709.58 125.80 o -12 0 2 4329.37 4312.66 122.99 o -10 0 2 8929.24 8887.44 225.52 o -8 0 2 40914.48 42905.34 848.97 o -6 0 2 38830.86 38684.88 1194.22 o -4 0 2 55445.05 65935.05 1294.42 o -2 0 2 43148.77 50013.62 1292.21 o 0 0 2 40991.12 47618.61 1497.27 o 2 0 2 81057.63 90159.41 1971.60 o 4 0 2 47158.80 42017.04 1494.84 o 6 0 2 35770.26 34238.54 759.25 o 8 0 2 8520.58 7719.39 175.68 o 10 0 2 5027.68 4450.24 224.53 o 12 0 2 4812.43 4065.64 199.57 o 14 0 2 3498.14 3346.30 199.39 o 16 0 2 1150.44 1393.29 147.57 o -19 1 2 256.37 239.60 43.60 o -17 1 2 400.51 442.13 53.04 o -15 1 2 2112.84 2042.53 105.33 o -13 1 2 695.17 728.94 33.19 o -11 1 2 1006.35 956.14 37.70 o -9 1 2 3268.49 2855.46 46.89 o -7 1 2 22059.55 21914.10 359.33 o -5 1 2 11088.88 11307.54 293.30 o -3 1 2 1902.11 1838.75 27.68 o -1 1 2 7633.44 7783.23 136.94 o 1 1 2 16.86 21.44 7.49 o 3 1 2 12692.83 11630.33 159.52 o 5 1 2 29612.42 29457.10 586.11 o 7 1 2 2787.49 2501.91 53.66 o 9 1 2 372.06 458.62 27.17 o 11 1 2 866.00 940.14 43.54 o 13 1 2 2331.51 2364.93 72.34 o 15 1 2 433.45 438.65 91.16 o 17 1 2 307.63 287.64 75.66 o -18 2 2 280.57 280.93 41.90 o -16 2 2 928.87 1027.47 48.74 o -14 2 2 2966.18 2814.89 86.95 o -12 2 2 807.46 819.08 39.91 o -10 2 2 5517.64 5499.93 91.76 o -8 2 2 10338.09 9895.38 120.60 o -6 2 2 12354.13 11866.92 138.62 o -4 2 2 18270.09 17070.09 318.19 o -2 2 2 16990.99 16652.82 216.15 o 0 2 2 10472.76 10501.42 187.51 o 2 2 2 26273.96 25609.65 320.53 o 4 2 2 12929.45 13152.12 169.03 o 6 2 2 8196.33 8255.35 201.00 o 8 2 2 7220.02 7295.86 144.57 o 10 2 2 562.71 596.66 34.35 o 12 2 2 4494.74 4140.89 136.30 o 14 2 2 1012.88 1174.83 59.94 o 16 2 2 310.64 162.32 83.94 o -17 3 2 240.37 173.56 44.39 o -15 3 2 920.24 876.54 77.06 o -13 3 2 402.29 349.02 28.00 o -11 3 2 1653.98 1746.16 61.18 o -9 3 2 1523.71 1626.21 37.10 o -7 3 2 2180.28 2084.10 34.55 o -5 3 2 6342.81 6178.03 157.70 o -3 3 2 6071.23 6402.72 80.99 o -1 3 2 8062.03 7789.88 78.85 o 1 3 2 5008.19 5106.49 75.76 o 3 3 2 5174.74 4734.93 86.43 o 5 3 2 2205.03 1859.30 52.37 o 7 3 2 1452.38 1390.20 42.75 o 9 3 2 2231.30 2025.18 68.84 o 11 3 2 514.69 447.31 42.47 o 13 3 2 884.52 874.21 58.33 o 15 3 2 255.99 221.00 60.47 o -16 4 2 21.01 8.71 23.34 o -14 4 2 67.96 91.15 23.80 o -12 4 2 722.40 729.73 40.39 o -10 4 2 193.11 228.09 25.00 o -8 4 2 317.06 354.37 33.28 o -6 4 2 252.08 292.60 18.09 o -4 4 2 172.90 176.16 15.50 o -2 4 2 1930.35 2011.76 33.36 o 0 4 2 1650.71 1818.59 29.69 o 2 4 2 49.84 49.33 12.75 o 4 4 2 173.16 169.02 29.55 o 6 4 2 661.11 659.74 31.05 o 8 4 2 2.09 21.90 19.70 o 10 4 2 760.08 689.56 41.69 o 12 4 2 92.84 101.71 39.84 o 14 4 2 23.69 26.57 25.57 o 16 4 2 20.36 36.15 32.89 o -17 5 2 123.10 123.00 35.28 o -15 5 2 6.07 -0.87 14.44 o -13 5 2 87.40 72.54 25.06 o -11 5 2 971.88 1102.18 51.36 o -9 5 2 0.72 9.57 19.17 o -7 5 2 38.22 37.84 18.70 o -5 5 2 856.65 849.53 27.83 o -3 5 2 958.74 927.18 25.73 o -1 5 2 3038.53 3316.17 61.31 o 1 5 2 502.70 550.79 24.05 o 3 5 2 458.76 467.11 23.33 o 5 5 2 10.40 21.83 12.86 o 7 5 2 35.22 25.71 15.84 o 9 5 2 1396.44 1734.78 91.23 o 11 5 2 122.02 103.90 39.70 o 13 5 2 0.26 2.11 21.22 o 15 5 2 151.59 129.92 65.30 o -16 6 2 95.84 161.62 62.40 o -14 6 2 53.47 54.32 32.01 o -12 6 2 68.75 114.04 26.27 o -10 6 2 230.69 202.75 83.47 o -8 6 2 857.25 957.46 40.37 o -6 6 2 374.20 357.67 32.25 o -4 6 2 771.49 791.92 30.39 o -2 6 2 702.71 766.18 27.75 o 0 6 2 1013.40 1053.46 31.21 o 2 6 2 836.53 833.97 27.22 o 4 6 2 387.46 373.49 28.92 o 6 6 2 983.81 1157.48 46.30 o 8 6 2 103.58 182.43 33.02 o 10 6 2 103.12 48.61 25.39 o 12 6 2 81.11 86.87 28.08 o 14 6 2 89.86 144.33 34.22 o -13 7 2 0.07 -31.35 31.35 o -11 7 2 3.50 8.17 18.27 o -9 7 2 1.79 -1.24 12.75 o -7 7 2 27.38 2.61 11.86 o -5 7 2 17.95 49.17 18.74 o -3 7 2 16.11 33.78 16.16 o -1 7 2 105.91 100.43 19.99 o 1 7 2 46.05 32.22 17.05 o 3 7 2 2.78 16.39 12.45 o 5 7 2 32.77 40.11 17.64 o 7 7 2 8.54 -10.25 23.13 o 9 7 2 0.68 11.79 24.25 o 11 7 2 1.41 -0.24 23.74 o 13 7 2 37.36 68.11 53.53 o -12 8 2 38.69 3.18 47.86 o -10 8 2 82.44 64.17 29.84 o -8 8 2 98.07 50.68 22.33 o -6 8 2 479.62 401.02 85.94 o -4 8 2 31.60 41.56 17.09 o -2 8 2 713.52 775.02 50.56 o 0 8 2 566.86 592.51 37.47 o 2 8 2 35.93 58.71 20.77 o 4 8 2 373.68 342.05 29.54 o 6 8 2 142.77 96.37 33.40 o 8 8 2 143.15 109.42 29.59 o 10 8 2 29.72 -2.94 30.83 o -9 9 2 54.80 9.84 20.72 o -7 9 2 75.34 73.35 28.99 o -5 9 2 145.12 75.94 32.14 o -3 9 2 173.92 128.02 28.57 o -1 9 2 229.08 237.72 32.26 o 1 9 2 99.21 121.39 35.90 o 3 9 2 192.36 166.54 40.70 o 5 9 2 45.03 21.82 26.27 o 7 9 2 65.11 77.73 34.60 o -6 10 2 34.55 -6.47 23.16 o -4 10 2 9.30 9.89 21.16 o -2 10 2 30.04 29.17 21.85 o 0 10 2 10.61 60.43 34.36 o 2 10 2 19.08 -9.33 28.40 o 4 10 2 33.03 50.39 30.22 o -19 1 3 39.44 38.20 24.41 o -17 1 3 112.16 102.06 26.31 o -15 1 3 15.94 34.92 18.24 o -13 1 3 89.99 104.49 24.09 o -11 1 3 13.17 -9.55 12.20 o -9 1 3 29.80 25.25 8.59 o -7 1 3 1736.18 1701.60 38.54 o -5 1 3 2540.79 2707.48 33.73 o -3 1 3 4281.17 4146.35 65.06 o -1 1 3 5414.21 5198.97 52.79 o 1 1 3 1518.47 1373.66 52.16 o 3 1 3 29.26 21.33 9.57 o 5 1 3 4308.38 4508.11 70.22 o 7 1 3 3.03 -3.99 14.59 o 9 1 3 298.39 328.98 31.34 o 11 1 3 0.48 0.73 19.80 o 13 1 3 80.78 112.18 31.26 o 15 1 3 12.29 9.92 24.52 o -18 2 3 190.59 186.94 36.02 o -16 2 3 982.21 1051.65 112.60 o -14 2 3 934.62 1039.23 58.82 o -12 2 3 529.92 582.46 28.91 o -10 2 3 4427.09 4638.11 69.55 o -8 2 3 6563.20 6404.15 80.90 o -6 2 3 7681.04 7005.45 80.74 o -4 2 3 12663.98 11881.23 154.62 o -2 2 3 16503.00 17377.15 189.62 o 0 2 3 14224.60 14550.02 263.47 o 2 2 3 187.55 152.33 15.05 o 4 2 3 8845.22 8000.11 160.69 o 6 2 3 6041.70 5714.79 120.20 o 8 2 3 1335.26 1375.23 43.42 o 10 2 3 4284.41 3995.92 162.42 o 12 2 3 343.72 346.51 38.14 o 14 2 3 240.20 185.44 42.19 o 16 2 3 391.21 246.15 112.08 o -17 3 3 358.59 265.67 75.47 o -15 3 3 316.81 363.20 29.47 o -13 3 3 208.26 188.06 21.94 o -11 3 3 354.11 367.17 22.66 o -9 3 3 1336.95 1366.90 31.09 o -7 3 3 4694.36 5383.18 77.61 o -5 3 3 1474.75 1543.49 18.98 o -3 3 3 1668.94 1784.74 34.93 o -1 3 3 1065.18 949.81 37.99 o 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