#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2209379.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_2209379_Fobs loop_ _publ_author_name 'Zhang, Hongming' 'Gondi, Sudershan R.' 'Son, David Y.' _publ_section_title ; Poly[bis(\m~3~-benzyloxyiminoacetato)nitratotrisilver(I)] ; _journal_coeditor_code AT2042 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1613 _journal_page_last m1615 _journal_volume 62 _journal_year 2006 _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 99.047 _cell_angle_gamma 90.000 _cell_length_a 23.9960 _cell_length_b 7.0691 _cell_length_c 12.2522 _exptl_crystal_F_000 1432.00 _reflns_d_resolution_high 0.7481 _[local]_cod_data_source_file at2042Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' gdAg168 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 317.80 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, 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 20635.12 20511.27 587.20 o 3 0 0 1751.66 1488.13 33.18 o 4 0 0 3184.77 2801.64 57.13 o 5 0 0 34392.73 32736.03 652.28 o 6 0 0 20748.32 18842.97 316.64 o 7 0 0 5169.28 4588.65 117.46 o 8 0 0 6630.63 5728.86 113.24 o 9 0 0 22346.16 22035.09 376.25 o 10 0 0 7961.79 7421.91 145.13 o 11 0 0 7324.45 8298.08 164.03 o 12 0 0 22710.60 23186.79 765.56 o 13 0 0 30375.74 31133.18 528.40 o 14 0 0 16239.42 16866.13 484.46 o 15 0 0 2921.22 3200.45 86.63 o 16 0 0 540.04 711.69 64.04 o 17 0 0 4252.61 4726.88 157.64 o 18 0 0 5607.71 6282.66 144.08 o 19 0 0 10222.30 11447.05 231.77 o 20 0 0 2809.67 3549.24 101.97 o 21 0 0 7737.77 6800.10 212.59 o 22 0 0 10600.07 10737.49 440.12 o 23 0 0 4485.83 4361.77 243.04 o 24 0 0 1119.76 1150.99 128.57 o 25 0 0 164.27 102.09 73.29 o 26 0 0 434.66 465.74 100.75 o 27 0 0 1679.06 1741.37 152.10 o 28 0 0 2077.48 2214.10 171.47 o 29 0 0 1595.09 1852.78 154.55 o 30 0 0 138.53 201.13 66.55 o 1 1 0 18427.96 26742.48 334.71 o 2 1 0 24420.82 30079.13 343.28 o 3 1 0 6715.41 7227.26 88.61 o 4 1 0 15866.00 17305.68 202.20 o 5 1 0 2117.03 2159.26 41.77 o 6 1 0 18.93 42.25 9.98 o 7 1 0 19790.68 18527.33 220.08 o 8 1 0 22951.06 22171.80 263.51 o 9 1 0 17437.74 18651.24 226.96 o 10 1 0 1600.31 1521.52 33.82 o 11 1 0 4482.02 4181.47 101.63 o 12 1 0 313.42 332.76 21.17 o 13 1 0 695.77 610.50 92.98 o 14 1 0 15269.32 14386.53 189.75 o 15 1 0 8889.49 8663.79 126.71 o 16 1 0 1367.58 1350.71 55.75 o 17 1 0 867.07 837.55 35.50 o 18 1 0 85.74 101.28 23.16 o 19 1 0 4638.61 4764.63 124.49 o 20 1 0 4249.72 4326.95 91.33 o 21 1 0 4181.00 4417.35 107.35 o 22 1 0 2027.97 2344.78 78.09 o 23 1 0 15.41 35.22 30.71 o 24 1 0 4.03 0.69 47.71 o 25 1 0 208.00 218.63 62.87 o 26 1 0 863.85 1369.75 229.13 o 27 1 0 935.03 1140.12 100.96 o 28 1 0 181.43 264.26 61.96 o 29 1 0 13.51 55.38 38.00 o 30 1 0 665.93 851.03 88.85 o 0 2 0 1183.68 2210.21 50.27 o 1 2 0 17983.02 28258.54 327.63 o 2 2 0 18004.90 24164.27 353.77 o 3 2 0 14594.56 17392.09 206.53 o 4 2 0 6422.07 6917.47 90.08 o 5 2 0 2427.60 2507.19 40.73 o 6 2 0 32279.26 35071.65 406.17 o 7 2 0 32483.32 33824.82 393.53 o 8 2 0 9139.69 9193.34 119.67 o 9 2 0 5046.33 5111.20 74.18 o 10 2 0 1633.72 1842.31 38.83 o 11 2 0 5.55 16.13 11.87 o 12 2 0 48.62 39.96 14.27 o 13 2 0 4430.48 4331.92 73.56 o 14 2 0 102.87 117.04 27.74 o 15 2 0 7227.52 6592.50 104.00 o 16 2 0 16143.47 15711.52 245.89 o 17 2 0 4313.41 4222.71 98.85 o 18 2 0 11.67 22.51 22.75 o 19 2 0 6.08 20.95 26.91 o 20 2 0 924.01 822.11 52.43 o 21 2 0 113.32 161.29 34.95 o 22 2 0 158.62 243.13 38.35 o 23 2 0 344.00 389.77 45.50 o 24 2 0 1113.50 1330.42 79.18 o 25 2 0 3137.29 3367.81 223.85 o 26 2 0 1846.60 2122.07 131.04 o 27 2 0 2.83 39.22 46.42 o 28 2 0 164.08 198.02 64.50 o 29 2 0 230.12 212.77 112.51 o 30 2 0 191.62 277.08 69.16 o 1 3 0 1464.78 2181.16 40.52 o 2 3 0 3485.43 4857.73 71.05 o 3 3 0 5884.96 7228.01 97.50 o 4 3 0 24294.54 29670.04 349.29 o 5 3 0 22379.10 26299.56 312.30 o 6 3 0 16789.17 18234.64 222.22 o 7 3 0 3072.33 3428.34 57.22 o 8 3 0 544.60 622.91 24.20 o 9 3 0 967.08 1182.71 31.69 o 10 3 0 1527.28 1492.15 38.67 o 11 3 0 3585.09 3450.29 61.71 o 12 3 0 2809.60 2817.09 55.60 o 13 3 0 1.05 -1.78 14.76 o 14 3 0 327.60 412.96 26.91 o 15 3 0 1028.91 889.24 34.93 o 16 3 0 4369.12 4124.46 89.03 o 17 3 0 13090.21 12730.24 232.47 o 18 3 0 5197.76 4903.05 121.30 o 19 3 0 2440.79 2464.41 84.86 o 20 3 0 2319.92 2320.39 121.90 o 21 3 0 1548.95 1535.18 83.18 o 22 3 0 2074.20 2163.58 85.13 o 23 3 0 1793.51 1659.42 73.68 o 24 3 0 1700.58 1671.34 77.20 o 25 3 0 258.34 244.88 53.07 o 26 3 0 16.93 44.37 39.46 o 27 3 0 3.15 90.35 55.19 o 28 3 0 15.80 -19.65 40.72 o 29 3 0 1.17 44.57 45.07 o 0 4 0 812.72 1166.73 45.73 o 1 4 0 1394.81 1903.88 42.36 o 2 4 0 1639.04 2219.63 60.12 o 3 4 0 1509.36 1862.81 43.49 o 4 4 0 1358.45 1494.34 37.38 o 5 4 0 3801.49 4496.28 72.83 o 6 4 0 7383.09 8024.63 119.64 o 7 4 0 9757.78 9692.11 132.07 o 8 4 0 9124.68 9515.17 132.54 o 9 4 0 4269.63 3830.00 67.41 o 10 4 0 1873.50 1599.79 40.69 o 11 4 0 1626.82 1483.73 42.59 o 12 4 0 2873.14 2563.91 54.40 o 13 4 0 695.54 624.53 31.16 o 14 4 0 266.67 242.96 24.56 o 15 4 0 332.71 474.88 41.76 o 16 4 0 502.34 552.52 43.55 o 17 4 0 90.94 126.89 32.62 o 18 4 0 658.62 715.28 50.85 o 19 4 0 17.04 42.58 32.83 o 20 4 0 168.73 181.92 39.12 o 21 4 0 79.34 39.35 33.51 o 22 4 0 178.10 149.45 42.03 o 23 4 0 0.18 22.12 38.74 o 24 4 0 109.97 32.77 36.31 o 25 4 0 5.20 -13.35 32.90 o 26 4 0 13.13 76.31 47.53 o 27 4 0 36.98 238.61 47.01 o 28 4 0 107.82 138.11 57.30 o 1 5 0 69.07 99.47 21.22 o 2 5 0 63.98 100.74 19.23 o 3 5 0 2139.72 2699.09 66.35 o 4 5 0 6695.02 7927.15 116.85 o 5 5 0 12723.72 14513.79 193.01 o 6 5 0 2540.91 2525.77 53.97 o 7 5 0 329.20 476.85 27.22 o 8 5 0 843.16 1016.69 36.32 o 9 5 0 2984.41 3561.96 68.77 o 10 5 0 2893.54 3148.94 64.46 o 11 5 0 2887.05 2927.38 62.99 o 12 5 0 2818.88 2733.09 61.02 o 13 5 0 2141.80 2125.94 70.02 o 14 5 0 3661.34 3656.81 97.57 o 15 5 0 3033.09 2749.48 85.71 o 16 5 0 169.74 184.90 35.02 o 17 5 0 526.22 512.84 46.51 o 18 5 0 36.32 80.49 40.83 o 19 5 0 48.92 78.56 35.86 o 20 5 0 19.38 22.80 35.49 o 21 5 0 0.13 -20.65 32.14 o 22 5 0 2.76 11.93 34.54 o 23 5 0 25.09 45.21 46.64 o 24 5 0 0.66 -1.64 41.15 o 25 5 0 37.34 20.71 51.28 o 26 5 0 445.10 566.54 73.35 o 0 6 0 1461.69 1955.50 92.13 o 1 6 0 980.25 1462.69 57.98 o 2 6 0 1142.24 1242.17 55.55 o 3 6 0 3078.55 3650.14 94.96 o 4 6 0 832.33 930.29 48.79 o 5 6 0 549.08 658.78 42.37 o 6 6 0 1127.10 1176.19 64.02 o 7 6 0 770.12 785.98 45.87 o 8 6 0 172.02 183.34 45.00 o 9 6 0 2214.86 2214.50 70.91 o 10 6 0 3290.66 3353.13 89.86 o 11 6 0 376.96 313.12 58.74 o 12 6 0 624.19 664.25 86.90 o 13 6 0 1105.27 1059.38 81.77 o 14 6 0 121.76 152.68 51.92 o 15 6 0 117.56 100.42 49.66 o 16 6 0 756.10 645.99 75.58 o 17 6 0 0.26 81.51 47.09 o 18 6 0 360.70 438.52 78.07 o 19 6 0 412.67 628.62 172.88 o 20 6 0 118.33 181.19 58.43 o 21 6 0 15.61 2.74 44.46 o 22 6 0 220.91 227.84 56.88 o 23 6 0 28.34 105.48 117.42 o 24 6 0 30.80 49.15 132.12 o 1 7 0 4691.31 5355.41 126.23 o 2 7 0 3505.49 4555.37 115.35 o 3 7 0 35.00 50.53 28.90 o 4 7 0 204.93 352.65 42.43 o 5 7 0 507.51 600.36 47.46 o 6 7 0 0.13 9.02 27.13 o 7 7 0 1332.96 1184.44 57.95 o 8 7 0 1447.31 1310.11 60.27 o 9 7 0 218.02 156.93 44.19 o 10 7 0 1809.60 1740.54 115.70 o 11 7 0 5287.76 4657.50 174.12 o 12 7 0 3264.73 3223.25 253.22 o 13 7 0 876.45 733.87 71.59 o 14 7 0 49.62 119.83 42.18 o 15 7 0 114.20 326.65 98.23 o 16 7 0 297.33 263.27 97.38 o 17 7 0 933.14 812.04 70.84 o 18 7 0 440.95 493.09 64.57 o 19 7 0 59.12 187.74 118.46 o 0 8 0 1728.78 1719.86 100.23 o 1 8 0 369.33 374.71 55.52 o 2 8 0 483.85 681.68 50.13 o 3 8 0 1863.86 2058.97 89.34 o 4 8 0 1544.57 1798.98 72.80 o 5 8 0 81.29 147.88 32.43 o 6 8 0 475.41 503.20 47.93 o 7 8 0 68.60 116.29 73.29 o 8 8 0 166.02 119.24 44.43 o 9 8 0 972.61 936.93 78.76 o 10 8 0 948.32 750.95 72.02 o 11 8 0 13.61 72.84 51.91 o 12 8 0 298.44 261.47 54.62 o 13 8 0 528.95 616.87 75.23 o 14 8 0 200.81 181.28 74.37 o 1 9 0 489.63 629.86 49.25 o 2 9 0 429.46 501.90 45.36 o 3 9 0 57.72 122.62 30.76 o 4 9 0 557.81 731.94 62.80 o 5 9 0 1031.32 977.26 86.04 o 6 9 0 310.32 242.38 57.83 o -30 1 1 309.32 477.24 74.29 o -29 1 1 1.46 23.24 38.18 o -28 1 1 54.68 174.01 58.95 o -27 1 1 85.80 93.89 46.91 o -26 1 1 19.36 -12.73 49.83 o -25 1 1 13.78 21.22 50.17 o -24 1 1 0.98 35.61 50.48 o -23 1 1 66.34 72.90 40.08 o -22 1 1 51.70 75.01 27.92 o -21 1 1 657.48 661.37 46.35 o -20 1 1 3355.40 3547.41 84.21 o -19 1 1 14041.38 14381.71 221.98 o -18 1 1 21495.79 20843.70 268.57 o -17 1 1 9916.78 9235.44 136.92 o -16 1 1 4262.87 3526.64 125.55 o -15 1 1 718.56 531.56 28.29 o -14 1 1 1162.19 909.62 31.85 o -13 1 1 551.66 395.11 25.30 o -12 1 1 1564.98 1741.99 38.66 o -11 1 1 9732.52 9939.39 131.66 o -10 1 1 42760.39 43900.94 545.85 o -9 1 1 51689.34 49895.32 573.89 o -8 1 1 21343.94 20836.71 305.59 o -7 1 1 721.85 598.07 26.56 o -6 1 1 2311.52 2240.67 36.58 o -5 1 1 455.52 472.77 34.67 o -4 1 1 113.19 120.31 9.02 o -3 1 1 274.45 337.38 12.79 o -2 1 1 4772.33 5280.17 128.77 o -1 1 1 6118.57 7491.10 176.40 o 0 1 1 705.30 790.18 26.55 o 1 1 1 3043.50 3744.74 53.92 o 2 1 1 7288.00 8547.32 103.45 o 3 1 1 33339.51 35926.47 410.68 o 4 1 1 35601.28 38637.50 441.80 o 5 1 1 23724.47 23211.95 286.75 o 6 1 1 25509.84 25010.18 292.43 o 7 1 1 34107.88 32843.30 417.95 o 8 1 1 40807.93 40642.61 470.39 o 9 1 1 37854.56 38934.63 454.40 o 10 1 1 42709.66 44526.31 518.91 o 11 1 1 13827.62 14438.66 183.83 o 12 1 1 197.27 284.99 23.31 o 13 1 1 2775.39 2711.94 54.21 o 14 1 1 1008.78 1088.18 35.36 o 15 1 1 0.16 34.70 17.55 o 16 1 1 56.98 46.38 18.07 o 17 1 1 445.83 360.71 31.97 o 18 1 1 848.44 848.41 41.74 o 19 1 1 945.52 1051.34 44.94 o 20 1 1 983.26 990.89 42.86 o 21 1 1 1485.61 1813.85 64.52 o 22 1 1 4189.20 4553.30 156.68 o 23 1 1 5167.17 5149.29 142.49 o 24 1 1 1004.14 1139.62 67.86 o 25 1 1 19.28 74.03 50.89 o 26 1 1 216.07 295.70 66.96 o 27 1 1 192.17 133.13 54.56 o 28 1 1 164.70 157.98 57.69 o 29 1 1 158.55 179.74 87.20 o 30 1 1 128.78 74.15 61.53 o -30 2 1 86.82 149.13 56.60 o -29 2 1 514.61 771.96 87.26 o -28 2 1 18.58 93.39 57.75 o -27 2 1 3.56 11.83 43.11 o -26 2 1 30.67 -44.20 44.20 o -25 2 1 304.77 311.48 56.19 o -24 2 1 1753.26 1803.24 93.35 o -23 2 1 1111.69 1303.71 63.53 o -22 2 1 85.92 150.84 36.67 o -21 2 1 16.78 12.65 28.94 o -20 2 1 1093.15 1002.01 54.74 o -19 2 1 62.20 54.42 33.68 o -18 2 1 7564.09 6891.11 125.96 o -17 2 1 12377.34 12245.36 192.43 o -16 2 1 13131.40 12922.46 199.57 o -15 2 1 6718.55 6603.07 102.17 o -14 2 1 1848.64 1815.12 43.88 o -13 2 1 7750.40 7354.52 107.43 o -12 2 1 33434.46 35147.84 425.30 o -11 2 1 31927.33 31875.85 383.25 o -10 2 1 26179.77 26075.55 312.62 o -9 2 1 7703.17 7431.13 101.40 o -8 2 1 1780.71 1954.54 41.16 o -7 2 1 3.50 17.27 9.10 o -6 2 1 5563.39 5580.90 77.07 o -5 2 1 24562.71 26109.19 305.23 o -4 2 1 29846.33 35579.43 410.28 o -3 2 1 5303.32 6718.24 111.32 o -2 2 1 908.65 1201.97 37.31 o -1 2 1 41270.83 59885.82 1059.99 o 0 2 1 16668.36 24061.81 426.34 o 1 2 1 84001.14 119161.07 1649.10 o 2 2 1 33153.64 44615.45 520.01 o 3 2 1 14323.84 17279.77 205.75 o 4 2 1 152.70 158.04 11.67 o 5 2 1 1570.51 1656.42 31.12 o 6 2 1 80.95 109.21 11.10 o 7 2 1 1551.89 1454.87 30.74 o 8 2 1 4617.73 4507.17 67.00 o 9 2 1 1284.99 1317.02 30.90 o 10 2 1 5889.89 5791.67 84.93 o 11 2 1 20118.98 19355.22 239.60 o 12 2 1 13934.06 13503.84 176.65 o 13 2 1 382.83 357.71 27.89 o 14 2 1 16.70 22.00 16.26 o 15 2 1 142.93 158.19 25.01 o 16 2 1 475.85 476.02 32.85 o 17 2 1 3037.86 2702.66 103.39 o 18 2 1 572.35 472.62 36.03 o 19 2 1 752.91 710.89 41.65 o 20 2 1 151.57 129.40 33.90 o 21 2 1 546.47 489.45 45.91 o 22 2 1 1589.70 1581.46 79.46 o 23 2 1 2190.26 2237.85 118.94 o 24 2 1 6327.31 6141.32 167.49 o 25 2 1 4018.07 4366.68 199.94 o 26 2 1 1844.20 1920.67 104.84 o 27 2 1 376.27 493.82 122.87 o 28 2 1 491.45 649.61 101.79 o 29 2 1 950.82 1122.73 106.02 o -29 3 1 39.35 45.97 39.25 o -28 3 1 25.73 22.01 108.96 o -27 3 1 214.66 272.08 59.29 o -26 3 1 1781.78 1962.66 100.81 o -25 3 1 3638.76 3712.03 114.24 o -24 3 1 2189.30 2194.03 95.97 o -23 3 1 55.05 99.54 43.20 o -22 3 1 2523.39 2369.48 85.67 o -21 3 1 957.78 926.39 58.64 o -20 3 1 418.68 502.75 47.97 o -19 3 1 3653.01 3476.70 98.70 o -18 3 1 30.91 65.57 30.58 o -17 3 1 2595.95 2590.06 69.18 o -16 3 1 5180.41 4805.06 98.10 o -15 3 1 7659.37 7387.41 128.81 o -14 3 1 518.29 469.89 27.05 o -13 3 1 4572.54 4468.04 76.49 o -12 3 1 10783.70 10114.93 139.34 o -11 3 1 7047.74 7171.02 105.18 o -10 3 1 16.78 20.42 13.21 o -9 3 1 341.95 320.96 21.48 o -8 3 1 2858.14 3077.88 53.81 o -7 3 1 4454.58 4338.81 67.71 o -6 3 1 6880.48 7561.81 111.18 o -5 3 1 0.05 3.30 10.78 o -4 3 1 19634.69 25311.87 300.93 o -3 3 1 82319.97 113637.71 1773.19 o -2 3 1 43135.49 62686.63 1124.75 o -1 3 1 4314.60 6356.39 94.23 o 0 3 1 0.64 -7.70 9.28 o 1 3 1 103.08 189.26 15.33 o 2 3 1 12158.82 16851.78 207.26 o 3 3 1 15247.59 19027.90 250.97 o 4 3 1 5348.80 6441.58 108.75 o 5 3 1 794.80 706.07 22.80 o 6 3 1 17376.67 17556.71 214.83 o 7 3 1 20131.63 20069.32 243.85 o 8 3 1 1413.66 1308.56 32.95 o 9 3 1 7049.87 6940.18 110.43 o 10 3 1 32466.05 33488.05 398.61 o 11 3 1 7253.41 7049.94 103.57 o 12 3 1 57.28 54.56 16.32 o 13 3 1 308.49 347.09 26.00 o 14 3 1 2530.26 2382.71 87.46 o 15 3 1 7555.67 6689.40 119.94 o 16 3 1 10300.27 10599.18 176.20 o 17 3 1 6570.86 6363.27 123.46 o 18 3 1 160.25 222.10 31.96 o 19 3 1 3036.94 2913.78 95.36 o 20 3 1 2028.58 1865.65 85.90 o 21 3 1 50.46 11.81 35.63 o 22 3 1 444.72 563.38 87.37 o 23 3 1 574.47 632.26 57.24 o 24 3 1 17.19 88.83 48.48 o 25 3 1 363.33 448.78 64.12 o 26 3 1 601.74 748.28 62.07 o 27 3 1 0.05 23.17 63.29 o 28 3 1 567.69 606.14 72.70 o 29 3 1 467.39 461.69 91.68 o -28 4 1 451.90 471.05 110.06 o -27 4 1 683.66 802.73 97.22 o -26 4 1 877.37 1056.26 66.92 o -25 4 1 85.95 180.76 48.71 o -24 4 1 2192.37 2248.89 90.98 o -23 4 1 2373.65 2561.95 96.62 o -22 4 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