#------------------------------------------------------------------------------ #$Date: 2011-10-06 14:27:20 +0300 (Thu, 06 Oct 2011) $ #$Revision: 27511 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/12/2231208.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_2231208_Fobs loop_ _publ_author_name 'Kennedy, Alan R.' 'Okoth, Maurice O.' 'Walsh, David' _publ_section_title ; catena-Poly[[(nitrito-\k^2^O,O')silver(I)]-\m-1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine-\k^2^N:N'] ; _journal_coeditor_code LH5278 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1138 _journal_volume 67 _journal_year 2011 _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yac' _symmetry_space_group_name_H-M 'P 1 2/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 93.710 _cell_angle_gamma 90.000 _cell_length_a 4.8645 _cell_length_b 7.3283 _cell_length_c 20.7228 _exptl_crystal_F_000 392.00 _reflns_d_resolution_high 0.7707 _[local]_cod_data_source_file lh5278Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' irish1 123K orange prism 0.3 0.3 0.28' _shelx_refln_list_code 4 _shelx_f_calc_maximum 124.80 _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, -z+1/2' '-x, -y, -z' 'x-1/2, -y, 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 10324.41 10118.09 129.73 o 4 0 0 2567.80 2694.26 70.71 o 6 0 0 956.68 1025.55 66.60 o 0 1 0 12600.29 11465.92 208.62 o 1 1 0 1104.89 1108.71 13.47 o 2 1 0 221.40 248.73 6.16 o 3 1 0 909.77 856.35 16.11 o 4 1 0 2.53 5.99 8.66 o 5 1 0 143.07 126.89 15.91 o 6 1 0 85.35 83.59 37.98 o 0 2 0 788.63 756.52 11.64 o 1 2 0 4229.17 4238.94 39.61 o 2 2 0 2937.39 3101.04 32.36 o 3 2 0 1005.48 973.10 48.12 o 4 2 0 1372.55 1421.82 29.87 o 5 2 0 16.47 23.17 13.20 o 6 2 0 241.43 270.83 94.89 o 0 3 0 5807.82 5831.54 73.69 o 1 3 0 1137.11 1125.25 28.81 o 2 3 0 3614.06 3628.36 49.66 o 3 3 0 609.64 578.02 12.72 o 4 3 0 1367.06 1388.24 27.56 o 5 3 0 651.51 623.28 85.59 o 0 4 0 148.26 118.23 5.40 o 1 4 0 3109.64 3100.00 41.83 o 2 4 0 274.24 284.21 8.98 o 3 4 0 1768.61 1784.86 26.14 o 4 4 0 187.31 169.12 18.03 o 5 4 0 840.69 799.49 35.50 o 0 5 0 875.58 838.06 18.82 o 1 5 0 101.54 107.92 6.80 o 2 5 0 792.61 795.37 17.90 o 3 5 0 151.03 153.83 11.49 o 4 5 0 1206.07 1258.54 37.24 o 5 5 0 23.91 12.83 33.36 o 0 6 0 475.19 482.99 13.33 o 1 6 0 1542.35 1512.29 44.72 o 2 6 0 57.19 71.12 10.84 o 3 6 0 576.37 577.89 18.47 o 4 6 0 251.56 274.30 35.29 o 0 7 0 831.80 868.05 39.94 o 1 7 0 939.48 931.80 30.67 o 2 7 0 1127.45 1110.11 31.23 o 3 7 0 326.98 307.80 24.14 o 4 7 0 299.61 256.23 35.48 o 0 8 0 599.25 612.89 44.61 o 1 8 0 6.26 16.21 12.25 o 2 8 0 534.85 507.45 27.53 o 3 8 0 107.16 82.74 29.71 o 0 9 0 7.80 28.96 61.15 o 1 9 0 186.39 183.60 31.58 o 2 9 0 12.68 -48.61 89.95 o -5 0 1 1021.21 1016.44 43.37 o -3 0 1 9646.18 9782.14 155.91 o -1 0 1 6010.53 6009.21 83.28 o 1 0 1 6843.57 6717.55 99.83 o 3 0 1 3362.69 3301.48 53.51 o 5 0 1 2554.05 2720.31 78.53 o -6 1 1 747.81 735.73 46.58 o -5 1 1 2.94 -33.07 27.53 o -4 1 1 1521.94 1524.31 30.21 o -3 1 1 688.84 737.55 13.01 o -2 1 1 2030.01 1984.50 22.22 o -1 1 1 956.03 987.93 11.86 o 0 1 1 6497.56 6289.30 55.82 o 1 1 1 823.66 854.37 11.05 o 2 1 1 4063.98 4007.29 41.29 o 3 1 1 17.48 14.81 4.58 o 4 1 1 2529.18 2556.28 46.08 o 5 1 1 717.46 678.73 25.49 o 6 1 1 671.27 656.06 34.81 o -6 2 1 605.99 607.09 40.41 o -5 2 1 473.60 506.30 21.68 o -4 2 1 960.13 941.75 21.08 o -3 2 1 258.03 237.31 8.57 o -2 2 1 1617.12 1591.44 19.12 o -1 2 1 150.19 150.14 3.72 o 0 2 1 4139.85 4170.58 41.64 o 1 2 1 1629.86 1606.23 17.15 o 2 2 1 1047.16 964.63 13.28 o 3 2 1 1233.00 1262.98 20.63 o 4 2 1 1066.80 1113.69 24.11 o 5 2 1 47.31 94.64 18.67 o 6 2 1 273.63 294.27 33.57 o -5 3 1 519.83 546.31 20.07 o -4 3 1 734.56 662.19 17.68 o -3 3 1 1729.50 1716.47 24.05 o -2 3 1 1600.46 1606.82 28.74 o -1 3 1 1374.02 1338.80 19.63 o 0 3 1 3456.74 3518.77 44.53 o 1 3 1 4628.87 4596.13 65.57 o 2 3 1 3299.83 3411.57 32.53 o 3 3 1 3382.86 3458.08 43.12 o 4 3 1 649.26 657.92 28.30 o 5 3 1 517.12 543.99 24.81 o -5 4 1 1.76 -5.10 14.76 o -4 4 1 1904.41 1972.45 38.96 o -3 4 1 6.67 6.76 5.46 o -2 4 1 1848.91 1904.55 24.02 o -1 4 1 1073.13 1110.36 14.25 o 0 4 1 4217.70 4326.97 49.34 o 1 4 1 634.62 699.86 10.75 o 2 4 1 3123.48 3195.24 38.89 o 3 4 1 48.08 47.19 12.13 o 4 4 1 1280.10 1233.22 25.97 o 5 4 1 11.13 24.61 18.13 o -5 5 1 138.59 144.88 42.22 o -4 5 1 96.93 93.00 17.23 o -3 5 1 300.50 303.49 12.48 o -2 5 1 130.19 126.82 10.52 o -1 5 1 1181.88 1210.61 19.16 o 0 5 1 100.75 107.48 5.84 o 1 5 1 2761.04 2836.77 40.10 o 2 5 1 110.49 105.47 34.52 o 3 5 1 516.16 571.57 33.88 o 4 5 1 48.66 54.85 16.87 o 5 5 1 646.47 608.82 41.52 o -4 6 1 571.57 625.19 32.78 o -3 6 1 149.57 150.55 21.04 o -2 6 1 3236.03 3302.27 52.92 o -1 6 1 272.02 281.45 11.75 o 0 6 1 1661.20 1704.62 25.05 o 1 6 1 1250.39 1144.13 22.07 o 2 6 1 869.19 869.69 20.29 o 3 6 1 80.51 68.92 13.60 o 4 6 1 620.05 623.36 38.64 o -4 7 1 150.78 142.00 54.02 o -3 7 1 319.62 315.24 21.99 o -2 7 1 1048.41 1056.21 32.81 o -1 7 1 850.99 846.72 24.04 o 0 7 1 506.62 520.97 20.47 o 1 7 1 230.69 263.53 31.18 o 2 7 1 414.55 402.11 18.56 o 3 7 1 435.75 371.45 24.45 o 4 7 1 729.68 735.04 48.14 o -3 8 1 412.98 407.48 36.81 o -2 8 1 137.36 150.99 51.07 o -1 8 1 518.93 548.68 24.13 o 0 8 1 391.77 407.53 26.04 o 1 8 1 329.27 394.28 21.59 o 2 8 1 237.19 263.41 44.91 o 3 8 1 260.26 251.77 35.79 o -2 9 1 293.80 263.51 33.46 o -1 9 1 5.31 19.65 48.12 o 0 9 1 656.57 568.09 34.90 o 1 9 1 46.52 38.25 31.78 o 2 9 1 461.81 252.92 64.93 o -6 0 2 587.55 579.50 53.51 o -4 0 2 2570.12 2500.75 75.20 o -2 0 2 7441.33 7195.55 97.27 o 0 0 2 7737.29 7250.34 134.23 o 2 0 2 6639.68 6404.31 97.52 o 4 0 2 801.56 858.60 33.62 o 6 0 2 397.82 385.35 36.57 o -6 1 2 0.23 12.70 24.32 o -5 1 2 331.64 345.94 19.92 o -4 1 2 28.26 36.21 23.16 o -3 1 2 3579.00 3718.05 69.87 o -2 1 2 82.01 90.31 7.06 o -1 1 2 6578.83 6444.50 56.94 o 0 1 2 207.60 227.13 6.48 o 1 1 2 8196.70 7825.68 67.24 o 2 1 2 332.30 318.25 6.31 o 3 1 2 2692.74 2694.26 34.16 o 4 1 2 0.96 9.06 9.64 o 5 1 2 1624.06 1582.04 47.32 o 6 1 2 24.47 6.52 23.03 o -6 2 2 622.85 629.18 51.78 o -5 2 2 162.45 178.51 19.95 o -4 2 2 608.32 613.96 19.60 o -3 2 2 2923.69 3043.58 37.64 o -2 2 2 1857.97 1895.90 19.87 o -1 2 2 3439.97 3441.03 31.11 o 0 2 2 2109.02 2045.88 20.23 o 1 2 2 2279.94 2244.87 21.99 o 2 2 2 317.80 276.90 7.70 o 3 2 2 1396.56 1384.61 21.62 o 4 2 2 781.23 810.26 19.57 o 5 2 2 831.51 847.65 31.55 o 6 2 2 289.37 294.23 52.16 o -5 3 2 262.40 232.67 28.42 o -4 3 2 842.98 776.54 37.15 o -3 3 2 292.48 268.73 9.00 o -2 3 2 4244.51 4302.23 51.71 o -1 3 2 812.97 747.52 10.82 o 0 3 2 10812.95 11010.45 168.62 o 1 3 2 2913.95 3033.48 30.27 o 2 3 2 2207.52 2074.30 30.93 o 3 3 2 267.95 256.03 10.78 o 4 3 2 918.84 946.89 21.99 o 5 3 2 203.31 244.90 21.30 o -5 4 2 384.19 354.73 23.78 o -4 4 2 411.68 348.94 25.79 o -3 4 2 1299.04 1326.40 20.49 o -2 4 2 643.29 683.87 12.15 o -1 4 2 716.88 654.06 19.38 o 0 4 2 24.64 16.66 4.49 o 1 4 2 2639.20 2724.03 27.67 o 2 4 2 330.36 342.31 8.44 o 3 4 2 134.17 143.36 8.85 o 4 4 2 182.66 163.89 11.68 o 5 4 2 604.92 567.56 46.32 o -5 5 2 0.41 1.28 11.49 o -4 5 2 1565.48 1649.90 43.09 o -3 5 2 237.13 240.12 11.56 o -2 5 2 3582.82 3637.37 51.88 o -1 5 2 15.84 11.70 5.20 o 0 5 2 1889.05 1908.27 24.17 o 1 5 2 277.99 264.30 10.46 o 2 5 2 2272.96 2296.29 33.73 o 3 5 2 255.64 262.61 11.17 o 4 5 2 1892.31 1872.41 45.40 o 5 5 2 36.90 25.83 30.51 o -4 6 2 366.55 377.48 29.47 o -3 6 2 283.37 316.01 34.13 o -2 6 2 1361.71 1390.23 34.00 o -1 6 2 778.66 831.21 18.84 o 0 6 2 187.06 172.62 6.99 o 1 6 2 542.63 576.38 20.72 o 2 6 2 108.91 112.87 13.47 o 3 6 2 981.95 939.03 41.58 o 4 6 2 282.43 300.63 26.18 o -4 7 2 223.47 267.57 78.73 o -3 7 2 372.82 381.32 29.58 o -2 7 2 271.52 301.87 21.95 o -1 7 2 487.96 532.67 33.68 o 0 7 2 1296.66 1320.54 89.25 o 1 7 2 506.52 523.48 43.57 o 2 7 2 1168.78 1165.39 39.20 o 3 7 2 355.39 322.57 44.78 o 4 7 2 284.90 294.41 51.65 o -3 8 2 17.87 4.16 34.01 o -2 8 2 287.28 309.86 36.70 o -1 8 2 133.25 157.72 32.79 o 0 8 2 412.64 396.38 27.04 o 1 8 2 263.71 224.27 25.02 o 2 8 2 475.84 444.05 77.31 o 3 8 2 304.79 271.20 52.10 o -2 9 2 35.72 66.66 39.72 o -1 9 2 562.26 530.39 57.68 o 0 9 2 5.45 -23.25 23.29 o 1 9 2 1129.58 1273.01 79.52 o -5 0 3 399.58 458.88 39.91 o -3 0 3 4388.36 4349.23 66.09 o -1 0 3 3836.12 3809.51 48.63 o 1 0 3 7755.66 7459.25 111.38 o 3 0 3 3709.21 3608.81 68.91 o 5 0 3 1141.31 1105.11 61.98 o -6 1 3 906.46 872.46 46.36 o -5 1 3 3.73 -20.22 13.48 o -4 1 3 1531.24 1485.01 29.82 o -3 1 3 201.80 202.24 8.04 o -2 1 3 4591.06 4508.36 43.82 o -1 1 3 367.99 400.21 7.89 o 0 1 3 8057.21 7748.41 75.64 o 1 1 3 1.94 4.58 0.91 o 2 1 3 6952.73 7052.27 71.91 o 3 1 3 180.72 183.20 14.82 o 4 1 3 773.90 798.60 18.66 o 5 1 3 20.68 24.24 15.93 o 6 1 3 320.90 329.02 28.36 o -6 2 3 508.85 487.58 53.25 o -5 2 3 356.61 372.56 24.70 o -4 2 3 808.83 795.85 19.36 o -3 2 3 168.65 146.95 7.89 o -2 2 3 1662.79 1661.73 17.45 o -1 2 3 2091.70 2074.66 21.24 o 0 2 3 3569.10 3538.19 36.16 o 1 2 3 3290.11 3387.65 37.47 o 2 2 3 4539.98 4733.70 44.87 o 3 2 3 1376.66 1424.77 21.90 o 4 2 3 393.67 407.48 15.10 o 5 2 3 1235.94 1323.85 58.90 o 6 2 3 257.34 280.45 28.71 o -5 3 3 542.77 497.27 23.62 o -4 3 3 155.45 139.31 26.69 o -3 3 3 1376.56 1332.22 28.68 o -2 3 3 1994.49 1997.06 22.64 o -1 3 3 7657.11 7666.10 75.20 o 0 3 3 908.03 830.60 9.92 o 1 3 3 5095.07 5163.97 69.36 o 2 3 3 438.14 405.10 8.66 o 3 3 3 1167.27 1158.94 20.52 o 4 3 3 440.71 424.31 21.62 o 5 3 3 995.15 1058.02 35.25 o -5 4 3 126.80 110.87 35.16 o -4 4 3 76.13 72.43 11.36 o -3 4 3 236.68 213.64 16.49 o -2 4 3 1966.22 2032.87 24.93 o -1 4 3 18.55 21.08 3.58 o 0 4 3 837.77 756.06 11.60 o 1 4 3 663.60 669.10 14.76 o 2 4 3 1931.44 1973.30 26.70 o 3 4 3 402.01 399.01 12.63 o 4 4 3 755.83 800.68 21.89 o 5 4 3 1.01 -5.21 37.09 o -5 5 3 914.13 799.80 45.75 o -4 5 3 151.12 157.77 17.80 o -3 5 3 1394.07 1394.37 31.60 o -2 5 3 155.00 147.89 9.00 o -1 5 3 1766.21 1774.85 30.16 o 0 5 3 15.69 14.63 4.46 o 1 5 3 5316.11 5430.76 61.51 o 2 5 3 295.70 296.38 8.81 o 3 5 3 2640.44 2722.51 45.76 o 4 5 3 0.57 4.72 37.73 o 5 5 3 584.24 609.14 53.57 o -4 6 3 683.85 685.71 33.23 o -3 6 3 115.05 104.00 19.12 o -2 6 3 516.49 512.89 18.74 o -1 6 3 136.47 129.53 9.03 o 0 6 3 809.52 847.69 24.12 o 1 6 3 1518.77 1513.76 26.56 o 2 6 3 386.44 421.74 15.09 o 3 6 3 364.73 340.03 16.71 o 4 6 3 661.44 653.12 33.36 o -4 7 3 188.72 155.79 30.80 o -3 7 3 819.90 807.70 35.22 o -2 7 3 380.15 379.77 34.13 o -1 7 3 1170.11 1187.27 30.51 o 0 7 3 517.68 549.69 20.79 o 1 7 3 186.08 206.65 17.20 o 2 7 3 571.78 588.65 18.28 o 3 7 3 252.56 294.76 34.39 o 4 7 3 455.93 424.23 38.37 o -3 8 3 333.41 305.63 34.13 o -2 8 3 225.69 209.32 23.55 o -1 8 3 406.39 441.78 27.50 o 0 8 3 186.68 189.99 20.27 o 1 8 3 394.90 392.35 24.70 o 2 8 3 47.51 12.83 25.66 o 3 8 3 310.18 283.55 32.54 o -1 9 3 8.81 -8.13 28.10 o 0 9 3 602.93 557.59 39.83 o 1 9 3 36.99 65.57 46.45 o -6 0 4 1372.30 1361.37 82.00 o -4 0 4 1439.15 1406.67 42.99 o -2 0 4 3436.13 3413.63 46.07 o 0 0 4 3492.43 3485.11 46.58 o 2 0 4 13131.86 12911.28 170.93 o 4 0 4 1262.68 1309.02 31.05 o 6 0 4 809.08 780.71 47.99 o -6 1 4 365.36 380.22 70.26 o -5 1 4 1207.18 1246.29 33.81 o -4 1 4 9.84 9.95 8.52 o -3 1 4 2415.53 2426.45 31.12 o -2 1 4 58.66 56.86 3.34 o -1 1 4 5053.06 5040.95 43.15 o 0 1 4 200.80 214.07 3.30 o 1 1 4 2465.71 2386.70 23.40 o 2 1 4 2387.28 2607.57 29.00 o 3 1 4 2422.05 2348.77 33.31 o 4 1 4 18.68 29.10 7.73 o 5 1 4 1378.80 1414.76 38.11 o 6 1 4 66.24 93.99 22.23 o -6 2 4 20.20 43.01 35.99 o -5 2 4 530.11 501.52 23.23 o -4 2 4 735.82 723.95 28.10 o -3 2 4 636.77 620.31 15.08 o -2 2 4 1723.75 1698.71 18.47 o -1 2 4 2993.51 2982.34 27.67 o 0 2 4 862.20 871.34 10.52 o 1 2 4 2214.62 2221.06 21.12 o 2 2 4 811.26 760.82 8.99 o 3 2 4 1462.38 1446.33 24.51 o 4 2 4 1307.58 1331.38 45.55 o 5 2 4 1154.83 1175.96 63.39 o 6 2 4 472.70 404.15 29.69 o -5 3 4 311.22 296.63 19.79 o -4 3 4 1776.64 1824.78 37.81 o -3 3 4 1651.64 1637.01 24.54 o -2 3 4 2847.86 2811.52 26.44 o -1 3 4 2266.60 2304.23 25.73 o 0 3 4 669.46 613.66 8.50 o 1 3 4 1748.06 1738.17 17.60 o 2 3 4 1443.19 1417.66 18.04 o 3 3 4 1066.64 1077.00 31.82 o 4 3 4 653.88 653.59 17.95 o 5 3 4 157.92 187.52 22.33 o -5 4 4 632.15 659.71 32.57 o -4 4 4 15.96 2.69 19.89 o -3 4 4 1938.79 1982.18 38.11 o -2 4 4 298.07 292.97 6.67 o -1 4 4 3313.86 3425.63 35.56 o 0 4 4 498.15 528.05 8.23 o 1 4 4 2432.72 2588.94 43.63 o 2 4 4 10.07 9.60 5.13 o 3 4 4 2760.29 2789.81 44.09 o 4 4 4 1.23 9.17 8.85 o 5 4 4 1024.65 1001.68 44.87 o -5 5 4 23.20 -4.55 11.59 o -4 5 4 329.98 324.75 21.32 o -3 5 4 124.11 129.18 12.93 o -2 5 4 2415.33 2445.68 54.79 o -1 5 4 68.65 77.98 5.99 o 0 5 4 1644.15 1648.20 23.16 o 1 5 4 179.38 172.54 6.12 o 2 5 4 812.37 825.25 15.24 o 3 5 4 75.22 72.01 8.35 o 4 5 4 400.69 418.78 46.77 o 5 5 4 19.88 59.32 24.17 o -4 6 4 50.18 57.16 25.09 o -3 6 4 517.99 539.91 49.92 o -2 6 4 917.04 914.84 66.21 o -1 6 4 1367.24 1386.22 56.33 o 0 6 4 100.88 94.48 6.60 o 1 6 4 3532.94 3549.08 48.92 o 2 6 4 79.87 93.74 11.04 o 3 6 4 820.95 865.33 24.57 o 4 6 4 26.43 31.64 34.71 o -4 7 4 264.37 220.40 30.23 o -3 7 4 246.51 196.16 24.36 o -2 7 4 97.10 97.46 19.78 o -1 7 4 453.61 419.42 34.84 o 0 7 4 710.12 677.87 23.77 o 1 7 4 1298.54 1324.53 52.68 o 2 7 4 285.72 321.45 17.10 o 3 7 4 239.13 228.10 22.52 o 4 7 4 132.83 80.84 30.93 o -3 8 4 150.07 154.85 28.97 o -2 8 4 302.34 321.59 26.34 o -1 8 4 359.86 309.57 23.86 o 0 8 4 689.70 671.81 28.48 o 1 8 4 197.66 183.52 22.64 o 2 8 4 704.16 698.84 49.28 o 3 8 4 498.29 391.00 36.83 o -1 9 4 559.32 512.49 78.15 o 0 9 4 0.29 4.96 41.58 o 1 9 4 318.79 258.70 53.00 o -5 0 5 1101.44 1153.23 55.95 o -3 0 5 3567.59 3613.17 55.95 o 1 0 5 8859.04 8488.78 112.15 o 3 0 5 3189.90 3223.71 56.98 o 5 0 5 1503.40 1491.23 55.31 o -6 1 5 67.97 84.67 28.17 o -5 1 5 6.38 8.41 13.89 o -4 1 5 482.51 493.62 16.06 o -3 1 5 4.29 4.44 4.95 o -2 1 5 1395.97 1320.79 14.74 o -1 1 5 11034.78 11130.42 93.42 o 0 1 5 1166.43 1178.06 11.20 o 1 1 5 3.95 5.82 1.28 o 2 1 5 1129.54 1067.37 21.04 o 3 1 5 114.92 113.27 5.85 o 4 1 5 216.97 224.44 9.92 o 5 1 5 224.11 258.32 22.29 o 6 1 5 402.60 376.10 28.65 o 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