#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/45/2014512.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_2014512_Fobs loop_ _publ_author_name 'Gao, Shan' 'Lu, Zhen-Zhong' 'Huo, Li-Hua' 'Zhao, Hui' _publ_section_title ; catena-Poly[[(pyridin-4-ol-\kN)silver(I)]-\m-pyridin-4-olato-\k^2^N:O] ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m651 _journal_page_last m653 _journal_volume 60 _journal_year 2004 _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 111.806 _cell_angle_gamma 90.000 _cell_length_a 9.1673 _cell_length_b 10.4014 _cell_length_c 11.0265 _exptl_crystal_F_000 584.00 _reflns_d_resolution_high 0.7700 _[local]_cod_data_source_file jz1667Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' z in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 278.64 _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 1908.71 1955.63 12.31 o 3 0 0 15122.17 16015.40 42.70 o 4 0 0 935.60 858.73 22.53 o 5 0 0 2606.58 2620.23 9.89 o 6 0 0 5856.24 6048.88 27.20 o 7 0 0 1443.69 1378.71 11.14 o 8 0 0 481.65 499.00 22.65 o 9 0 0 3127.13 2876.94 127.97 o 10 0 0 1.50 -8.75 29.05 o 11 0 0 147.65 125.69 68.31 o 1 1 0 4953.40 5530.82 41.01 o 2 1 0 7033.52 7427.89 48.45 o 3 1 0 93.45 112.39 5.47 o 4 1 0 5919.46 6003.52 21.94 o 5 1 0 1669.13 1618.17 15.07 o 6 1 0 16.21 21.61 6.90 o 7 1 0 1788.64 1752.62 17.88 o 8 1 0 1352.30 1364.75 16.34 o 9 1 0 58.68 50.70 9.08 o 10 1 0 18.18 34.17 25.31 o 11 1 0 170.02 192.80 24.17 o 0 2 0 15.99 18.37 2.83 o 1 2 0 370.50 368.17 7.01 o 2 2 0 18035.57 20546.75 130.26 o 3 2 0 98.10 101.18 3.10 o 4 2 0 163.27 180.20 10.32 o 5 2 0 128.64 131.21 6.59 o 6 2 0 22.80 37.47 8.55 o 7 2 0 208.45 219.53 9.72 o 8 2 0 231.09 232.83 10.54 o 9 2 0 79.13 106.61 13.01 o 10 2 0 41.88 49.53 16.18 o 1 3 0 1692.35 1669.35 10.73 o 2 3 0 8553.88 8833.40 61.65 o 3 3 0 1113.75 1215.58 7.63 o 4 3 0 5183.82 5180.85 47.41 o 5 3 0 3583.63 3467.23 29.30 o 6 3 0 255.84 256.80 8.93 o 7 3 0 618.36 605.06 11.29 o 8 3 0 235.59 235.51 13.54 o 9 3 0 219.34 207.65 12.45 o 10 3 0 243.41 239.52 14.27 o 0 4 0 14274.03 15044.55 177.59 o 1 4 0 3889.93 3947.46 25.63 o 2 4 0 3496.89 3472.74 29.13 o 3 4 0 11324.88 11760.43 83.56 o 4 4 0 6334.75 6387.99 48.53 o 5 4 0 1917.31 1923.65 22.00 o 6 4 0 1724.35 1730.22 18.53 o 7 4 0 294.64 306.79 11.07 o 8 4 0 600.72 579.13 17.41 o 9 4 0 1122.14 1106.93 19.22 o 10 4 0 242.53 256.75 20.71 o 1 5 0 5069.32 5293.79 19.41 o 2 5 0 2976.14 3043.01 28.55 o 3 5 0 464.76 447.52 6.03 o 4 5 0 3666.57 3733.11 29.90 o 5 5 0 1991.67 2050.81 16.03 o 6 5 0 49.43 57.39 10.34 o 7 5 0 2343.47 2385.82 22.08 o 8 5 0 476.28 472.87 13.46 o 9 5 0 147.95 145.94 16.08 o 10 5 0 281.94 272.76 15.09 o 0 6 0 722.62 716.12 5.37 o 1 6 0 430.63 420.53 10.40 o 2 6 0 121.91 127.91 3.01 o 3 6 0 127.78 115.30 4.47 o 4 6 0 5.61 12.17 6.07 o 5 6 0 0.86 5.34 5.17 o 6 6 0 92.43 97.01 9.22 o 7 6 0 191.70 174.95 11.16 o 8 6 0 19.99 30.11 15.66 o 9 6 0 57.73 67.45 15.14 o 1 7 0 4879.28 4906.30 26.82 o 2 7 0 4992.91 4988.25 19.71 o 3 7 0 93.03 92.37 7.53 o 4 7 0 1568.87 1514.61 15.25 o 5 7 0 3554.33 3506.52 47.17 o 6 7 0 79.24 71.92 12.36 o 7 7 0 1087.36 1036.95 33.94 o 8 7 0 638.42 584.58 31.79 o 9 7 0 2.04 -13.72 18.03 o 0 8 0 2044.07 1967.09 17.93 o 1 8 0 1794.29 1757.95 23.96 o 2 8 0 574.62 595.98 9.08 o 3 8 0 3416.72 3492.49 55.48 o 4 8 0 1369.17 1376.55 11.31 o 5 8 0 843.42 807.33 30.14 o 6 8 0 1684.89 1791.71 22.18 o 7 8 0 116.30 123.26 16.37 o 8 8 0 233.93 253.92 18.84 o 1 9 0 349.56 337.49 11.79 o 2 9 0 747.41 773.62 9.55 o 3 9 0 58.71 51.84 8.56 o 4 9 0 522.42 548.65 14.36 o 5 9 0 252.41 258.87 9.27 o 6 9 0 42.49 48.44 17.60 o 7 9 0 210.21 221.57 17.90 o 8 9 0 22.07 34.04 27.55 o 0 10 0 131.05 129.75 19.87 o 1 10 0 30.46 34.80 7.85 o 2 10 0 267.52 273.43 12.29 o 3 10 0 211.84 219.25 11.46 o 4 10 0 133.30 168.23 9.69 o 5 10 0 9.17 14.24 12.73 o 6 10 0 64.46 78.94 19.11 o 7 10 0 38.23 23.54 21.25 o 1 11 0 991.00 1005.18 13.37 o 2 11 0 989.75 973.59 18.10 o 3 11 0 49.69 57.52 9.28 o 4 11 0 581.87 607.45 16.52 o 5 11 0 758.45 754.96 19.74 o 6 11 0 1.67 14.89 16.54 o 0 12 0 1614.95 1595.67 36.25 o 1 12 0 212.11 249.68 46.04 o 2 12 0 310.96 299.16 12.95 o 3 12 0 888.31 892.72 14.99 o 4 12 0 45.74 51.63 10.71 o 5 12 0 145.27 150.13 25.17 o 1 13 0 220.71 230.42 27.86 o 2 13 0 81.26 93.56 49.32 o 3 13 0 2.29 -20.58 23.31 o -11 1 1 116.27 113.17 23.52 o -10 1 1 330.75 307.37 27.30 o -9 1 1 987.06 918.69 23.95 o -8 1 1 55.06 64.46 6.68 o -7 1 1 1996.23 1991.42 18.62 o -6 1 1 2942.55 2958.65 30.08 o -5 1 1 151.42 159.30 8.68 o -4 1 1 5810.80 5726.06 12.63 o -3 1 1 2629.41 2569.94 17.30 o -2 1 1 145.50 147.57 4.27 o -1 1 1 9434.97 10313.12 16.39 o 1 1 1 7395.53 8260.46 60.50 o 2 1 1 11044.41 12126.21 78.75 o 3 1 1 2168.79 2000.28 25.51 o 4 1 1 0.32 6.63 3.80 o 5 1 1 799.78 759.23 7.18 o 6 1 1 2141.69 2129.26 19.29 o 7 1 1 79.11 91.18 13.47 o 8 1 1 675.60 631.34 10.89 o 9 1 1 454.75 405.82 33.78 o 10 1 1 78.72 77.17 37.03 o -11 2 1 886.26 948.94 26.27 o -10 2 1 209.73 223.00 17.52 o -9 2 1 200.85 185.39 11.39 o -8 2 1 1119.92 1095.38 25.32 o -7 2 1 1362.28 1356.84 17.16 o -6 2 1 974.51 914.90 16.23 o -5 2 1 11010.06 11230.74 110.78 o -4 2 1 3868.43 3890.03 13.17 o -3 2 1 3304.67 3193.96 15.73 o -2 2 1 77642.91 78061.50 155.68 o -1 2 1 5402.40 5464.51 28.19 o 0 2 1 1762.17 1842.82 12.97 o 1 2 1 11690.37 12757.94 90.97 o 2 2 1 8747.74 9158.26 18.57 o 3 2 1 3700.20 3679.55 18.48 o 4 2 1 10441.06 10228.43 65.92 o 5 2 1 3518.01 3541.41 52.29 o 6 2 1 1053.94 1054.80 17.86 o 7 2 1 3850.00 3898.35 51.01 o 8 2 1 319.98 320.91 14.01 o 9 2 1 226.51 248.78 19.56 o 10 2 1 819.84 794.74 24.01 o -11 3 1 0.02 9.79 13.31 o -10 3 1 258.56 265.47 15.28 o -9 3 1 1312.32 1311.21 16.47 o -8 3 1 0.13 -3.63 9.41 o -7 3 1 243.77 235.90 9.07 o -6 3 1 2998.83 3179.96 52.52 o -5 3 1 157.19 158.93 3.51 o -4 3 1 2827.09 2833.68 12.95 o -3 3 1 10671.94 11211.77 73.23 o -2 3 1 55.78 43.05 3.42 o -1 3 1 1174.20 1082.66 8.98 o 0 3 1 4671.39 4862.02 34.28 o 1 3 1 8.32 10.47 6.61 o 2 3 1 6755.02 7351.79 79.46 o 3 3 1 8094.06 8543.90 82.19 o 4 3 1 16.79 10.37 6.76 o 5 3 1 2874.84 2843.75 30.57 o 6 3 1 2574.17 2570.63 41.54 o 7 3 1 92.30 89.84 14.75 o 8 3 1 73.74 80.27 10.87 o 9 3 1 426.82 388.31 17.98 o 10 3 1 0.29 0.61 12.19 o -10 4 1 10.21 3.40 14.44 o -9 4 1 62.81 61.00 12.81 o -8 4 1 11.45 24.56 10.19 o -7 4 1 3.60 2.96 10.23 o -6 4 1 28.06 33.49 9.96 o -5 4 1 123.30 115.88 5.58 o -4 4 1 5545.58 5763.54 43.09 o -3 4 1 1019.01 1083.99 5.48 o -2 4 1 91.74 101.56 3.98 o -1 4 1 25.97 25.04 3.33 o 0 4 1 714.68 698.01 7.54 o 1 4 1 80.60 74.17 8.06 o 2 4 1 164.70 162.03 6.67 o 3 4 1 898.41 942.85 4.85 o 4 4 1 161.76 166.85 9.37 o 5 4 1 498.91 493.42 9.23 o 6 4 1 229.39 213.83 9.98 o 7 4 1 350.10 352.15 13.56 o 8 4 1 245.56 226.96 18.29 o 9 4 1 53.08 50.58 12.64 o 10 4 1 2.84 6.53 12.83 o -10 5 1 309.03 298.47 18.45 o -9 5 1 267.79 257.72 14.03 o -8 5 1 20.45 27.43 9.70 o -7 5 1 2439.32 2408.54 24.47 o -6 5 1 1602.65 1558.32 23.67 o -5 5 1 838.62 839.11 11.35 o -4 5 1 5197.70 5161.23 14.48 o -3 5 1 875.23 801.00 9.64 o -2 5 1 112.49 117.08 3.39 o -1 5 1 10942.49 11740.15 45.84 o 0 5 1 9060.41 9372.91 135.34 o 1 5 1 4.15 21.36 6.41 o 2 5 1 3791.00 3820.61 37.67 o 3 5 1 5090.95 4933.82 33.88 o 4 5 1 631.29 623.02 15.81 o 5 5 1 2320.48 2331.61 19.04 o 6 5 1 356.03 364.70 10.26 o 7 5 1 339.53 304.53 12.84 o 8 5 1 816.15 786.82 22.52 o 9 5 1 390.25 393.44 31.66 o -10 6 1 184.19 176.53 22.37 o -9 6 1 195.91 189.10 13.83 o -8 6 1 1616.02 1650.34 18.64 o -7 6 1 578.44 597.28 11.47 o -6 6 1 3062.09 3005.88 23.13 o -5 6 1 3657.80 3610.92 32.30 o -4 6 1 782.65 777.72 7.76 o -3 6 1 1693.99 1693.45 6.44 o -2 6 1 3963.12 3858.20 18.48 o -1 6 1 3683.02 3673.48 19.75 o 0 6 1 3103.04 3130.32 26.64 o 1 6 1 12978.79 13072.57 52.90 o 2 6 1 2205.50 2242.22 18.83 o 3 6 1 2116.84 2124.49 11.58 o 4 6 1 2519.57 2533.73 17.81 o 5 6 1 73.88 88.20 10.55 o 6 6 1 980.55 959.55 26.14 o 7 6 1 1802.89 1775.44 35.48 o 8 6 1 417.95 391.47 18.59 o 9 6 1 137.20 155.30 13.96 o -9 7 1 218.47 199.18 15.33 o -8 7 1 20.32 12.14 12.63 o -7 7 1 867.12 843.62 20.40 o -6 7 1 711.22 731.60 9.52 o -5 7 1 925.86 846.32 29.05 o -4 7 1 963.49 961.71 23.86 o -3 7 1 718.52 737.05 6.70 o -2 7 1 55.13 64.31 4.91 o -1 7 1 1863.78 1872.94 12.98 o 0 7 1 2304.77 2304.03 14.89 o 1 7 1 231.57 265.05 6.85 o 2 7 1 2480.71 2598.06 25.78 o 3 7 1 712.82 744.69 16.12 o 4 7 1 25.76 38.98 10.39 o 5 7 1 2521.75 2488.74 28.24 o 6 7 1 280.47 294.28 11.26 o 7 7 1 57.89 60.46 6.87 o 8 7 1 369.21 344.62 17.61 o 9 7 1 40.44 54.61 18.76 o -9 8 1 41.07 65.51 22.80 o -8 8 1 132.97 113.87 11.66 o -7 8 1 24.80 36.37 9.48 o -6 8 1 502.18 474.57 27.01 o -5 8 1 119.56 110.45 5.45 o -4 8 1 40.59 45.33 6.65 o -3 8 1 176.99 171.38 5.20 o -2 8 1 361.65 357.78 9.70 o -1 8 1 74.04 78.03 5.09 o 0 8 1 66.80 67.29 4.80 o 1 8 1 250.33 247.79 10.94 o 2 8 1 164.24 184.94 7.88 o 3 8 1 498.49 505.02 8.97 o 4 8 1 76.99 81.69 12.36 o 5 8 1 322.02 313.64 17.13 o 6 8 1 6.36 15.61 15.39 o 7 8 1 60.78 79.08 17.16 o 8 8 1 20.86 62.85 21.71 o -8 9 1 3.50 -14.84 24.94 o -7 9 1 399.86 409.41 20.64 o -6 9 1 723.50 756.68 19.96 o -5 9 1 80.62 70.93 12.28 o -4 9 1 1494.77 1466.99 13.67 o -3 9 1 2218.71 2228.66 12.63 o -2 9 1 1.51 6.81 6.22 o -1 9 1 1657.36 1641.20 13.36 o 0 9 1 2964.87 2855.83 38.28 o 1 9 1 1.37 17.75 7.24 o 2 9 1 1153.02 1166.91 10.71 o 3 9 1 4697.40 4766.34 32.54 o 4 9 1 34.88 41.00 18.24 o 5 9 1 680.65 685.64 22.08 o 6 9 1 585.60 602.05 17.93 o 7 9 1 0.55 14.27 17.87 o -7 10 1 221.69 263.13 18.34 o -6 10 1 187.85 224.71 32.41 o -5 10 1 1213.42 1224.15 27.23 o -4 10 1 647.55 673.12 16.55 o -3 10 1 421.42 426.56 11.36 o -2 10 1 1685.67 1643.42 43.62 o -1 10 1 850.09 822.21 14.68 o 0 10 1 175.80 166.33 5.60 o 1 10 1 1833.02 1890.58 11.81 o 2 10 1 527.89 582.79 12.99 o 3 10 1 670.39 679.35 12.49 o 4 10 1 1842.42 1851.62 25.37 o 5 10 1 292.66 288.19 23.61 o 6 10 1 187.00 186.46 20.95 o 7 10 1 388.31 436.89 22.43 o -6 11 1 105.73 108.91 15.68 o -5 11 1 0.14 -5.44 10.26 o -4 11 1 144.82 161.32 12.26 o -3 11 1 631.47 626.27 12.61 o -2 11 1 4.40 12.82 8.61 o -1 11 1 109.52 106.31 5.97 o 0 11 1 366.48 370.63 10.09 o 1 11 1 134.50 134.05 18.39 o 2 11 1 332.00 334.04 11.55 o 3 11 1 74.74 80.48 9.98 o 4 11 1 37.07 42.00 14.10 o 5 11 1 76.42 81.87 18.37 o 6 11 1 61.39 63.04 19.94 o -5 12 1 68.41 72.45 11.11 o -4 12 1 16.39 34.53 11.69 o -3 12 1 34.22 28.42 8.93 o -2 12 1 116.75 134.42 28.10 o -1 12 1 9.97 5.95 29.97 o 0 12 1 49.89 71.05 24.68 o 1 12 1 200.31 204.16 13.86 o 2 12 1 80.91 83.22 11.11 o 3 12 1 22.44 15.74 10.27 o 4 12 1 45.07 32.06 10.99 o -3 13 1 254.07 247.26 21.62 o -2 13 1 0.41 32.76 21.83 o -1 13 1 1008.93 1062.09 26.18 o 0 13 1 592.61 608.16 24.98 o 1 13 1 2.10 32.01 25.03 o 2 13 1 416.35 436.55 46.36 o -11 0 2 49.97 47.07 33.45 o -10 0 2 122.80 119.15 17.15 o -9 0 2 745.33 744.08 20.86 o -8 0 2 602.42 611.44 17.87 o -7 0 2 6762.36 6656.97 55.48 o -6 0 2 3300.58 3399.70 33.58 o -5 0 2 2858.58 2777.04 31.79 o -4 0 2 14620.63 14303.63 88.06 o -3 0 2 2843.78 2676.22 45.88 o -2 0 2 2930.43 2932.35 14.35 o -1 0 2 4840.04 4707.58 47.45 o 0 0 2 24519.33 26882.39 223.96 o 1 0 2 6317.76 6414.01 59.73 o 2 0 2 19146.16 20590.39 129.43 o 3 0 2 12086.29 13048.13 133.98 o 4 0 2 1334.18 1298.89 17.07 o 5 0 2 3915.76 3770.71 16.98 o 6 0 2 1478.05 1476.74 14.01 o 7 0 2 506.12 518.29 7.84 o 8 0 2 1838.10 1775.28 33.72 o 9 0 2 331.22 335.94 20.22 o 10 0 2 73.23 108.72 22.33 o -11 1 2 655.46 684.44 34.40 o -10 1 2 7.35 16.21 6.48 o -9 1 2 296.86 278.50 15.45 o -8 1 2 1549.60 1573.41 20.63 o -7 1 2 117.53 137.67 10.01 o -6 1 2 2701.02 2642.56 26.78 o -5 1 2 8118.64 8271.68 66.14 o -4 1 2 247.43 245.45 8.40 o -3 1 2 3945.51 3800.77 10.84 o -2 1 2 3112.39 3084.61 21.19 o -1 1 2 2281.27 2343.29 10.88 o 0 1 2 12593.37 13716.88 67.90 o 1 1 2 12830.76 14046.04 86.81 o 2 1 2 80.66 73.88 3.22 o 3 1 2 715.85 650.48 6.04 o 4 1 2 5232.01 5227.27 19.94 o 5 1 2 312.74 334.76 7.85 o 6 1 2 1958.22 1943.12 14.08 o 7 1 2 1095.54 1077.93 20.89 o 8 1 2 1.72 10.12 8.12 o 9 1 2 292.35 286.54 18.18 o 10 1 2 128.82 149.08 16.87 o -11 2 2 0.06 7.43 18.55 o -10 2 2 0.05 27.95 11.82 o -9 2 2 1.99 0.70 9.81 o -8 2 2 115.64 138.75 11.56 o -7 2 2 29.48 40.33 9.91 o -6 2 2 50.32 58.02 8.34 o -5 2 2 474.79 477.92 7.86 o -4 2 2 0.28 29.13 13.34 o -3 2 2 1039.26 1012.05 5.66 o -2 2 2 3643.60 3809.45 12.66 o -1 2 2 14.21 31.02 6.54 o 0 2 2 121.78 125.23 2.94 o 1 2 2 2190.26 2379.61 10.31 o 2 2 2 374.99 396.16 8.03 o 3 2 2 0.32 3.54 3.23 o 4 2 2 0.90 8.24 13.46 o 5 2 2 145.84 159.31 12.20 o 6 2 2 210.84 208.81 9.30 o 7 2 2 209.06 212.79 9.93 o 8 2 2 3.68 11.40 15.19 o 9 2 2 1.11 19.55 8.94 o 10 2 2 0.84 28.28 15.68 o -11 3 2 316.51 297.74 35.76 o -10 3 2 3.56 20.02 11.25 o -9 3 2 1364.83 1382.31 14.20 o -8 3 2 1088.48 1099.24 32.06 o -7 3 2 63.98 69.20 5.82 o -6 3 2 3556.30 3472.79 22.27 o -5 3 2 1709.48 1599.67 11.52 o -4 3 2 377.07 377.15 5.18 o -3 3 2 21930.16 24426.94 126.62 o -2 3 2 12595.38 12937.79 31.66 o -1 3 2 296.66 318.97 4.97 o 0 3 2 4437.70 4373.84 39.13 o 1 3 2 2826.11 2697.46 14.27 o 2 3 2 120.48 117.65 3.52 o 3 3 2 4352.86 4396.17 45.21 o 4 3 2 4324.08 4346.01 33.39 o 5 3 2 178.48 175.61 8.53 o 6 3 2 2369.90 2319.28 18.55 o 7 3 2 667.51 673.98 13.32 o 8 3 2 59.53 60.79 13.03 o 9 3 2 272.85 271.99 10.75 o 10 3 2 198.79 220.54 15.84 o -11 4 2 111.20 122.79 16.61 o -10 4 2 1218.64 1206.92 24.62 o -9 4 2 416.95 433.25 12.06 o -8 4 2 517.53 519.60 13.24 o -7 4 2 3648.82 3691.45 35.76 o -6 4 2 1109.84 1103.52 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