#------------------------------------------------------------------------------ #$Date: 2009-11-11 20:41:08 +0200 (Wed, 11 Nov 2009) $ #$Revision: 840 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017348.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_2017348_Fobs loop_ _publ_author_name 'Niu, Cao-Yuan' 'Ning, Ai-Min' 'Meng, Lei' 'Kou, Chun-Hong' 'He, Yong' _publ_section_title ; A stair-like two-dimensional silver(I) coordination polymer of N'-(3-cyanobenzylidene)nicotinohydrazide ; _journal_coeditor_code MX3016 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m407 _journal_page_last m410 _journal_volume 65 _journal_year 2009 _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 108.316 _cell_angle_gamma 90.000 _cell_length_a 12.7022 _cell_length_b 10.6710 _cell_length_c 13.5477 _exptl_crystal_F_000 1056.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file mx3016Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 326.33 _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 4791.04 5010.28 105.61 o 4 0 0 14375.39 14271.29 543.23 o 6 0 0 3342.73 3368.80 56.02 o 8 0 0 7061.61 7020.94 117.70 o 10 0 0 289.05 266.31 21.68 o 12 0 0 768.15 795.95 30.74 o 14 0 0 866.43 907.03 58.52 o 1 1 0 7774.92 7980.25 153.83 o 2 1 0 17602.48 17537.82 257.68 o 3 1 0 31699.78 29812.75 308.18 o 4 1 0 386.48 340.79 7.70 o 5 1 0 421.44 427.13 9.69 o 6 1 0 8192.64 8009.54 80.66 o 7 1 0 55.23 48.38 4.73 o 8 1 0 1884.88 1864.70 29.41 o 9 1 0 426.76 457.57 13.84 o 10 1 0 161.80 157.09 9.29 o 11 1 0 1992.97 1980.85 35.05 o 12 1 0 676.09 654.09 23.91 o 13 1 0 357.23 321.68 19.00 o 14 1 0 32.06 32.63 9.91 o 15 1 0 193.24 203.91 25.62 o 0 2 0 23293.30 21884.88 333.80 o 1 2 0 14187.00 14924.34 219.96 o 2 2 0 15882.70 16245.22 209.82 o 3 2 0 2809.33 2678.24 31.72 o 4 2 0 1603.63 1678.93 19.98 o 5 2 0 17971.73 17844.95 189.69 o 6 2 0 52.99 67.47 6.47 o 7 2 0 78.83 70.78 5.60 o 8 2 0 708.60 657.63 15.79 o 9 2 0 7487.16 7433.00 79.20 o 10 2 0 362.79 364.24 16.31 o 11 2 0 275.74 251.26 15.31 o 12 2 0 802.65 794.23 41.28 o 13 2 0 2.93 1.48 10.04 o 14 2 0 45.78 28.09 12.03 o 15 2 0 161.55 153.59 15.07 o 1 3 0 2238.52 2544.04 33.99 o 2 3 0 10865.92 11788.36 177.39 o 3 3 0 395.00 514.74 11.40 o 4 3 0 8369.82 8110.41 79.42 o 5 3 0 1580.97 1595.87 20.40 o 6 3 0 7750.65 7746.52 89.16 o 7 3 0 278.40 324.86 12.97 o 8 3 0 4157.63 4107.79 55.51 o 9 3 0 1480.44 1521.49 43.23 o 10 3 0 2007.40 2027.42 42.50 o 11 3 0 658.88 699.58 24.47 o 12 3 0 125.26 119.58 13.34 o 13 3 0 86.21 63.63 12.30 o 14 3 0 0.04 3.67 10.11 o 15 3 0 33.66 36.67 16.40 o 0 4 0 7724.00 7914.75 120.84 o 1 4 0 3089.34 2796.14 37.63 o 2 4 0 5377.75 5435.71 87.12 o 3 4 0 4750.71 4974.08 81.77 o 4 4 0 946.30 1177.60 21.44 o 5 4 0 1466.42 1443.94 17.52 o 6 4 0 1835.23 1950.95 29.35 o 7 4 0 16560.88 16212.00 210.18 o 8 4 0 1014.78 1002.28 23.61 o 9 4 0 46.31 37.01 8.33 o 10 4 0 2.41 -3.21 6.96 o 11 4 0 559.51 494.32 21.64 o 12 4 0 275.59 257.91 17.28 o 13 4 0 399.12 375.65 21.42 o 14 4 0 83.59 131.99 27.04 o 15 4 0 111.19 117.83 16.86 o 1 5 0 17249.04 16525.13 199.42 o 2 5 0 83.47 89.22 7.34 o 3 5 0 4435.19 4650.86 78.52 o 4 5 0 8464.22 8492.35 135.81 o 5 5 0 5853.79 5864.34 68.62 o 6 5 0 874.91 779.33 18.08 o 7 5 0 287.64 309.27 24.14 o 8 5 0 416.82 427.05 14.92 o 9 5 0 979.19 1009.27 23.65 o 10 5 0 2000.85 1816.02 73.07 o 11 5 0 68.60 70.07 11.70 o 12 5 0 5.37 -2.67 8.49 o 13 5 0 641.74 655.37 29.72 o 14 5 0 20.58 17.62 11.35 o 0 6 0 744.27 915.55 21.64 o 1 6 0 510.17 443.18 9.92 o 2 6 0 24361.58 22878.80 274.74 o 3 6 0 691.98 704.87 20.76 o 4 6 0 5142.91 4855.02 84.54 o 5 6 0 1221.99 1336.56 22.60 o 6 6 0 437.73 405.81 14.12 o 7 6 0 61.51 49.36 9.82 o 8 6 0 1622.54 1618.09 34.24 o 9 6 0 720.16 682.17 21.88 o 10 6 0 1400.03 1311.60 40.23 o 11 6 0 4.10 -0.88 8.90 o 12 6 0 353.68 377.21 35.69 o 13 6 0 43.28 38.58 12.24 o 14 6 0 76.22 76.67 15.00 o 1 7 0 5481.69 5496.48 75.67 o 2 7 0 2188.24 2230.05 44.82 o 3 7 0 1411.49 1469.91 34.40 o 4 7 0 7049.34 6813.77 114.61 o 5 7 0 1205.79 1199.58 25.51 o 6 7 0 115.28 139.91 9.77 o 7 7 0 8.42 -2.60 6.90 o 8 7 0 12.04 19.09 8.15 o 9 7 0 446.91 392.96 17.89 o 10 7 0 799.90 802.23 32.12 o 11 7 0 295.24 301.98 40.12 o 12 7 0 10.74 11.69 12.31 o 13 7 0 171.03 178.71 20.23 o 0 8 0 9846.46 9406.97 218.35 o 1 8 0 2338.37 2231.84 54.73 o 2 8 0 187.99 190.68 12.18 o 3 8 0 7.23 16.21 6.99 o 4 8 0 140.39 154.49 12.18 o 5 8 0 119.32 126.78 11.07 o 6 8 0 782.96 773.05 25.27 o 7 8 0 2566.75 2609.05 40.94 o 8 8 0 1269.88 1300.76 32.54 o 9 8 0 332.19 340.42 20.96 o 10 8 0 0.39 -0.70 15.72 o 11 8 0 403.63 418.00 26.03 o 12 8 0 92.58 78.66 17.77 o 1 9 0 59.70 50.13 8.65 o 2 9 0 585.87 606.57 17.88 o 3 9 0 3366.68 3424.72 67.15 o 4 9 0 404.73 366.12 15.29 o 5 9 0 566.71 533.59 18.73 o 6 9 0 1206.84 1249.64 29.15 o 7 9 0 60.73 66.98 8.77 o 8 9 0 1717.01 1673.94 39.00 o 9 9 0 7.25 -4.22 8.78 o 10 9 0 295.98 283.68 18.41 o 11 9 0 295.69 280.99 23.47 o 0 10 0 27.55 16.36 11.35 o 1 10 0 28.85 34.73 8.90 o 2 10 0 1447.23 1400.49 52.95 o 3 10 0 2671.64 2650.34 60.35 o 4 10 0 117.89 131.64 12.03 o 5 10 0 3287.50 3210.68 71.01 o 6 10 0 80.99 76.04 9.08 o 7 10 0 323.11 347.17 16.08 o 8 10 0 39.61 29.35 10.73 o 9 10 0 1387.22 1389.11 36.79 o 10 10 0 0.44 -1.65 10.28 o 1 11 0 425.51 418.44 34.97 o 2 11 0 686.36 670.37 30.34 o 3 11 0 1485.34 1468.58 55.35 o 4 11 0 436.34 421.72 23.61 o 5 11 0 7.74 13.22 10.72 o 6 11 0 1585.80 1519.46 31.60 o 7 11 0 125.50 135.86 11.52 o 8 11 0 296.37 303.78 15.81 o 9 11 0 1.90 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188.26 15.91 o -9 1 1 3046.30 3018.55 43.36 o -8 1 1 5834.05 5695.66 61.81 o -7 1 1 370.08 380.63 8.11 o -6 1 1 11878.94 11589.91 103.19 o -5 1 1 11246.03 11663.00 113.41 o -4 1 1 336.24 448.28 7.89 o -3 1 1 81035.13 66885.19 1751.08 o -2 1 1 21718.97 20130.12 348.10 o -1 1 1 74.29 61.64 3.21 o 0 1 1 6020.75 6390.17 79.43 o 1 1 1 15929.13 16146.19 190.33 o 2 1 1 4691.07 4602.07 50.30 o 3 1 1 1476.06 1484.55 22.09 o 4 1 1 3991.35 4162.26 55.23 o 5 1 1 2492.10 2478.09 32.20 o 6 1 1 9449.66 8818.76 98.60 o 7 1 1 1275.42 1107.29 19.99 o 8 1 1 384.62 349.64 16.06 o 9 1 1 587.35 562.93 15.35 o 10 1 1 1344.06 1374.25 70.76 o 11 1 1 496.63 517.21 16.61 o 12 1 1 300.84 296.37 17.43 o 13 1 1 5.31 7.74 9.81 o 14 1 1 8.03 12.47 10.57 o 15 1 1 450.55 454.14 45.58 o -15 2 1 17.38 27.02 16.01 o -14 2 1 725.61 727.89 24.41 o -13 2 1 233.18 239.80 17.87 o -12 2 1 1.88 7.10 10.00 o -11 2 1 4.02 -2.67 14.62 o -10 2 1 607.91 660.66 18.00 o -9 2 1 1721.05 1649.94 30.86 o -8 2 1 456.09 518.80 11.76 o -7 2 1 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3561.70 45.31 o 6 5 1 47.74 44.16 7.72 o 7 5 1 1957.78 1846.51 46.80 o 8 5 1 5152.95 5053.94 80.22 o 9 5 1 6.16 5.54 7.27 o 10 5 1 597.60 584.36 32.33 o 11 5 1 308.88 295.35 33.68 o 12 5 1 5.96 -0.18 9.31 o 13 5 1 465.16 441.10 24.05 o 14 5 1 56.51 40.05 13.25 o -14 6 1 0.32 -4.64 12.26 o -13 6 1 540.98 445.09 26.84 o -12 6 1 0.63 2.73 10.68 o -11 6 1 0.66 4.76 14.95 o -10 6 1 182.23 176.67 16.54 o -9 6 1 1575.22 1537.80 33.99 o -8 6 1 231.45 235.95 13.10 o -7 6 1 9433.13 9426.42 128.59 o -6 6 1 1.17 6.12 4.47 o -5 6 1 7.49 8.42 4.36 o -4 6 1 56.06 49.05 10.72 o -3 6 1 8003.06 7739.55 124.23 o -2 6 1 139.29 170.31 6.98 o -1 6 1 212.36 251.03 7.56 o 0 6 1 790.77 825.15 17.88 o 1 6 1 6360.62 6071.30 68.97 o 2 6 1 21.66 22.70 11.18 o 3 6 1 1301.52 1312.14 25.63 o 4 6 1 393.76 452.80 13.99 o 5 6 1 9823.07 9902.46 111.74 o 6 6 1 240.88 216.90 16.83 o 7 6 1 3513.46 3498.96 70.17 o 8 6 1 48.22 49.00 24.25 o 9 6 1 278.61 254.13 18.25 o 10 6 1 86.80 77.93 11.99 o 11 6 1 734.92 643.73 28.54 o 12 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46.46 o