#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/17/2221784.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_2221784_Fobs loop_ _publ_author_name 'Tahir, M. Nawaz' 'Atakol, Orhan' 'Tariq, Muhammad Ilyas' _publ_section_title ; Poly[(\m-benzene-1,2,4,5-tetracarboxylato)tetrasilver(I)] ; _journal_coeditor_code RK2131 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m580 _journal_volume 65 _journal_year 2009 _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 94.360 _cell_angle_gamma 90.000 _cell_length_a 8.3280 _cell_length_b 6.3170 _cell_length_c 10.9450 _exptl_crystal_F_000 628.00 _reflns_d_resolution_high 0.7511 _[local]_cod_data_source_file rk2131Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' AGNA' _shelx_refln_list_code 4 _shelx_F_calc_maximum 238.24 _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 2526.71 2670.39 20.20 o 3 0 0 38246.43 38595.84 351.72 o 4 0 0 56757.31 57516.18 918.34 o 5 0 0 3995.54 3930.90 88.56 o 6 0 0 1107.52 1085.20 23.28 o 7 0 0 1550.68 1465.15 30.02 o 8 0 0 36.33 27.04 3.11 o 9 0 0 3.03 1.08 4.41 o 10 0 0 195.91 203.25 6.55 o 1 1 0 7185.72 7143.76 102.17 o 2 1 0 265.09 256.88 53.86 o 3 1 0 3392.35 3621.89 92.82 o 4 1 0 6404.95 6298.95 165.73 o 5 1 0 6896.01 6699.32 156.35 o 6 1 0 46.19 68.04 8.34 o 7 1 0 3425.67 3428.17 109.42 o 8 1 0 3535.87 3410.17 69.40 o 9 1 0 661.18 704.33 22.79 o 10 1 0 97.29 89.33 5.21 o 0 2 0 489.51 572.25 10.66 o 1 2 0 891.52 810.56 18.85 o 2 2 0 6082.17 6044.66 38.02 o 3 2 0 2983.24 3062.63 69.52 o 4 2 0 243.72 257.35 7.38 o 5 2 0 4864.27 4739.27 124.10 o 6 2 0 6526.39 6372.02 202.68 o 7 2 0 1376.87 1402.81 85.18 o 8 2 0 247.64 230.38 6.28 o 9 2 0 899.05 858.77 42.26 o 10 2 0 713.00 757.77 57.41 o 1 3 0 3135.94 3124.51 100.59 o 2 3 0 6396.37 6236.44 224.17 o 3 3 0 2944.15 2849.53 160.21 o 4 3 0 1871.37 1883.56 56.82 o 5 3 0 9.85 23.65 16.68 o 6 3 0 277.54 268.18 16.31 o 7 3 0 430.07 448.56 61.69 o 8 3 0 1099.56 1047.55 97.87 o 9 3 0 127.82 147.40 5.95 o 10 3 0 27.61 56.21 5.74 o 0 4 0 2284.44 2453.16 30.57 o 1 4 0 79.56 100.08 14.56 o 2 4 0 953.33 879.36 21.41 o 3 4 0 1059.05 1030.40 22.19 o 4 4 0 584.49 630.56 35.82 o 5 4 0 816.09 818.72 56.64 o 6 4 0 2230.55 2121.60 97.84 o 7 4 0 939.31 936.78 79.38 o 8 4 0 0.62 10.44 11.58 o 9 4 0 286.90 329.18 35.03 o 1 5 0 11447.23 11263.06 117.08 o 2 5 0 15299.75 15036.71 498.66 o 3 5 0 6052.22 5941.07 316.19 o 4 5 0 453.71 430.64 36.27 o 5 5 0 2996.38 2940.91 247.44 o 6 5 0 1563.99 1558.03 161.93 o 7 5 0 343.92 334.58 25.23 o 8 5 0 61.48 118.94 35.25 o 0 6 0 1923.12 1853.08 34.43 o 1 6 0 152.17 167.61 16.26 o 2 6 0 1438.19 1353.49 37.87 o 3 6 0 2761.55 2744.40 76.67 o 4 6 0 188.59 202.39 6.32 o 5 6 0 902.16 863.29 73.93 o 6 6 0 3059.54 3044.18 372.24 o 7 6 0 1123.60 1269.29 136.14 o 1 7 0 134.23 146.11 20.55 o 2 7 0 7.84 16.04 16.13 o 3 7 0 811.23 822.83 36.08 o 4 7 0 783.95 831.50 27.86 o 5 7 0 949.86 996.91 65.39 o 0 8 0 3229.78 3238.72 56.98 o 1 8 0 856.93 876.90 21.80 o 2 8 0 3.79 10.64 4.55 o -10 1 1 436.62 416.55 12.20 o -9 1 1 5.78 6.04 3.24 o -8 1 1 2323.64 2282.58 40.45 o -7 1 1 6455.29 6277.17 60.39 o -6 1 1 6049.94 5888.63 53.78 o -5 1 1 135.93 164.09 5.50 o -4 1 1 4625.98 4329.37 36.94 o -3 1 1 20565.80 20589.24 74.41 o -2 1 1 26942.16 28664.18 74.47 o -1 1 1 17.42 17.36 1.28 o 0 1 1 132.00 174.00 5.06 o 1 1 1 4264.71 4376.10 25.21 o 2 1 1 6082.39 6306.03 35.35 o 3 1 1 1588.13 1566.39 20.16 o 4 1 1 3749.93 3902.78 36.89 o 5 1 1 3720.00 3820.62 40.24 o 6 1 1 562.79 597.52 13.12 o 7 1 1 635.80 599.00 14.27 o 8 1 1 2068.76 2078.05 38.57 o 9 1 1 2740.52 2739.59 48.36 o 10 1 1 561.93 652.82 18.80 o -10 2 1 142.01 129.39 5.92 o -9 2 1 281.05 302.25 8.79 o -8 2 1 699.90 709.88 16.76 o -7 2 1 551.23 541.24 13.20 o -6 2 1 253.32 268.68 7.79 o -5 2 1 1446.92 1384.80 24.04 o -4 2 1 184.36 246.30 6.98 o -3 2 1 2912.86 2639.41 25.49 o -2 2 1 11390.41 10792.10 46.93 o -1 2 1 10500.45 10921.30 43.97 o 0 2 1 17941.50 18376.21 61.46 o 1 2 1 40540.77 40919.52 113.34 o 2 2 1 23768.46 23557.42 85.47 o 3 2 1 832.50 888.05 17.40 o 4 2 1 19130.83 18874.69 91.58 o 5 2 1 19289.23 18780.19 99.54 o 6 2 1 1724.21 1674.21 32.11 o 7 2 1 1207.61 1165.78 28.32 o 8 2 1 1252.48 1228.59 31.76 o 9 2 1 1092.58 965.99 21.94 o 10 2 1 92.34 97.77 5.91 o -9 3 1 522.80 540.89 16.40 o -8 3 1 122.09 97.79 4.24 o -7 3 1 739.96 680.97 15.61 o -6 3 1 317.20 305.60 8.31 o -5 3 1 2294.98 2162.69 31.54 o -4 3 1 2374.23 2197.23 28.20 o -3 3 1 432.19 395.18 11.89 o -2 3 1 2062.80 1886.79 22.80 o -1 3 1 29206.09 29738.65 93.30 o 0 3 1 14799.55 14446.50 66.21 o 1 3 1 101.24 124.25 3.59 o 2 3 1 15217.89 15385.91 80.06 o 3 3 1 24911.10 24856.45 109.13 o 4 3 1 9124.77 9314.38 68.29 o 5 3 1 2350.98 2389.40 37.67 o 6 3 1 7170.61 7126.81 69.70 o 7 3 1 1942.66 1958.25 40.16 o 8 3 1 174.21 206.76 5.95 o 9 3 1 1032.75 1023.21 23.56 o -9 4 1 978.75 966.74 21.47 o -8 4 1 3211.29 2878.35 48.78 o -7 4 1 212.21 178.93 4.92 o -6 4 1 3611.37 3422.89 45.16 o -5 4 1 8314.64 7664.51 62.90 o -4 4 1 13368.94 12715.67 76.77 o -3 4 1 1030.55 1058.51 20.49 o -2 4 1 6281.98 5930.51 46.86 o -1 4 1 18069.42 17776.00 83.90 o 0 4 1 5816.15 5888.35 47.88 o 1 4 1 244.79 318.32 9.02 o 2 4 1 284.83 293.45 9.45 o 3 4 1 350.90 384.19 11.12 o 4 4 1 1606.86 1656.80 31.93 o 5 4 1 16.18 19.59 3.53 o 6 4 1 2763.95 2699.08 46.43 o 7 4 1 3557.25 3776.51 58.78 o 8 4 1 1522.06 1716.19 42.00 o 9 4 1 156.69 126.97 7.42 o -8 5 1 37.52 47.72 4.55 o -7 5 1 202.48 228.69 7.65 o -6 5 1 64.68 77.58 3.78 o -5 5 1 13.73 14.43 2.44 o -4 5 1 347.92 317.25 10.10 o -3 5 1 436.33 407.12 11.14 o -2 5 1 1.32 2.37 4.43 o -1 5 1 638.61 622.27 17.60 o 0 5 1 1610.15 1583.29 28.76 o 1 5 1 20.52 46.98 3.57 o 2 5 1 758.66 730.25 15.76 o 3 5 1 883.92 843.75 24.08 o 4 5 1 701.59 703.51 16.68 o 5 5 1 493.36 515.26 15.66 o 6 5 1 765.14 792.33 19.86 o 7 5 1 30.17 31.43 4.38 o 8 5 1 12.65 36.32 4.89 o -7 6 1 10.30 33.96 4.55 o -6 6 1 851.09 823.79 18.93 o -5 6 1 2056.35 2016.22 38.67 o -4 6 1 1256.82 1224.64 29.02 o -3 6 1 312.53 276.01 8.40 o -2 6 1 37.32 46.46 3.03 o -1 6 1 1475.83 1393.16 29.25 o 0 6 1 2695.46 2579.22 40.69 o 1 6 1 2588.39 2401.79 40.77 o 2 6 1 935.16 927.14 26.64 o 3 6 1 30.22 30.24 3.45 o 4 6 1 863.87 888.25 20.12 o 5 6 1 1284.56 1381.81 36.53 o 6 6 1 542.04 600.23 19.16 o 7 6 1 66.42 103.29 6.85 o -5 7 1 296.46 295.09 9.21 o -4 7 1 203.97 196.97 6.24 o -3 7 1 167.52 153.05 5.50 o -2 7 1 1290.62 1261.83 31.63 o -1 7 1 1918.75 1901.62 38.21 o 0 7 1 1138.76 1163.40 31.41 o 1 7 1 191.20 180.14 6.17 o 2 7 1 2125.37 2224.02 45.69 o 3 7 1 1761.21 1909.35 42.30 o 4 7 1 1241.09 1243.35 36.81 o 5 7 1 52.67 73.84 6.19 o -2 8 1 855.25 897.88 21.60 o -1 8 1 191.82 199.98 7.37 o 0 8 1 751.59 750.26 20.58 o 1 8 1 2304.50 2380.29 51.02 o 2 8 1 1281.10 1352.18 38.95 o -10 0 2 2680.97 2778.30 52.73 o -9 0 2 842.16 816.93 19.29 o -8 0 2 0.48 11.93 2.86 o -7 0 2 2528.37 2641.89 40.40 o -6 0 2 1595.01 1503.84 29.24 o -5 0 2 1011.61 1076.03 21.68 o -4 0 2 15.94 29.23 2.24 o -3 0 2 153.04 180.30 5.76 o -2 0 2 5655.21 5848.73 34.03 o -1 0 2 2678.85 2767.45 19.82 o 0 0 2 64.27 49.06 1.50 o 1 0 2 14352.67 14856.55 41.43 o 2 0 2 36035.10 33587.47 82.81 o 3 0 2 38005.38 35985.66 100.22 o 4 0 2 181.38 252.61 6.82 o 5 0 2 20534.35 20101.49 92.15 o 6 0 2 22118.28 21942.32 107.86 o 7 0 2 6395.92 6586.91 61.84 o 8 0 2 284.54 236.28 6.36 o 9 0 2 4463.60 4208.65 59.14 o 10 0 2 1386.04 1407.10 36.86 o -10 1 2 274.78 277.96 7.41 o -9 1 2 2309.61 2275.84 43.31 o -8 1 2 1256.82 1155.69 29.24 o -7 1 2 461.10 503.22 13.41 o -6 1 2 9736.87 9505.90 70.50 o -5 1 2 5320.76 5094.83 46.70 o -4 1 2 14.39 20.69 2.09 o -3 1 2 8932.98 8360.36 48.10 o -2 1 2 32274.44 34054.82 94.89 o -1 1 2 128.79 142.27 4.21 o 0 1 2 1685.95 1717.13 16.09 o 1 1 2 9318.69 9314.08 40.84 o 2 1 2 9532.99 9171.58 46.27 o 3 1 2 403.09 776.46 14.96 o 4 1 2 8461.96 8534.28 55.40 o 5 1 2 1608.84 1611.63 26.57 o 6 1 2 934.39 997.59 23.28 o 7 1 2 1653.42 1790.63 33.83 o 8 1 2 2991.49 2915.44 46.61 o 9 1 2 153.60 152.48 5.68 o 10 1 2 2090.40 2110.92 45.91 o -10 2 2 3.97 13.85 4.10 o -9 2 2 247.45 275.91 7.64 o -8 2 2 1349.08 1334.14 31.42 o -7 2 2 1089.55 1048.73 25.86 o -6 2 2 189.93 199.18 5.41 o -5 2 2 4849.25 4589.19 45.26 o -4 2 2 14130.74 13527.64 70.82 o -3 2 2 10133.27 9672.04 53.22 o -2 2 2 333.58 321.03 8.80 o -1 2 2 12064.73 11706.13 47.40 o 0 2 2 21711.90 22567.44 73.67 o 1 2 2 20015.13 19702.99 77.46 o 2 2 2 4469.88 4851.51 38.09 o 3 2 2 4359.59 4584.68 40.07 o 4 2 2 1793.95 1870.55 27.99 o 5 2 2 1124.07 1147.48 24.46 o 6 2 2 689.99 720.12 15.23 o 7 2 2 155.06 164.45 4.72 o 8 2 2 712.11 777.61 18.39 o 9 2 2 223.89 293.98 8.14 o 10 2 2 118.41 99.30 6.41 o -9 3 2 105.59 134.48 5.51 o -8 3 2 295.88 322.32 9.90 o -7 3 2 1354.18 1220.83 28.98 o -6 3 2 3982.29 3640.52 45.72 o -5 3 2 347.34 419.48 10.68 o -4 3 2 55.01 64.55 2.95 o -3 3 2 3946.14 3766.73 35.23 o -2 3 2 15746.60 15650.13 68.66 o -1 3 2 8055.10 7520.08 45.17 o 0 3 2 1563.91 1606.34 22.24 o 1 3 2 670.99 753.02 16.86 o 2 3 2 5878.59 5834.96 48.96 o 3 3 2 8586.21 8527.94 62.47 o 4 3 2 3326.73 3316.46 40.97 o 5 3 2 786.19 807.92 22.25 o 6 3 2 27.14 25.01 3.60 o 7 3 2 1543.41 1390.99 34.39 o 8 3 2 512.44 534.53 17.01 o 9 3 2 538.90 556.35 17.36 o -9 4 2 1.84 27.84 4.61 o -8 4 2 157.86 193.94 7.47 o -7 4 2 1032.41 959.82 27.10 o -6 4 2 100.05 96.73 3.77 o -5 4 2 374.73 344.35 10.24 o -4 4 2 1792.20 1719.03 28.07 o -3 4 2 1930.31 1802.37 27.46 o -2 4 2 9.85 11.82 2.26 o -1 4 2 1530.90 1422.63 23.22 o 0 4 2 2265.21 2314.51 30.42 o 1 4 2 287.40 364.83 9.96 o 2 4 2 82.51 110.12 4.02 o 3 4 2 969.18 979.05 24.51 o 4 4 2 53.14 49.43 3.98 o 5 4 2 450.14 452.89 14.03 o 6 4 2 292.23 265.40 7.24 o 7 4 2 2.76 9.91 5.88 o 8 4 2 303.53 318.19 9.84 o 9 4 2 534.11 532.68 15.57 o -8 5 2 1062.87 1121.65 32.89 o -7 5 2 277.11 277.72 7.41 o -6 5 2 131.32 128.87 4.70 o -5 5 2 371.48 356.62 11.29 o -4 5 2 104.82 113.52 3.59 o -3 5 2 211.63 207.48 5.96 o -2 5 2 66.09 75.17 3.59 o -1 5 2 3556.15 3517.53 42.16 o 0 5 2 9149.14 9164.43 70.50 o 1 5 2 4444.91 4519.57 51.02 o 2 5 2 0.28 9.71 3.25 o 3 5 2 7938.67 8328.65 76.87 o 4 5 2 13980.59 14395.64 106.02 o 5 5 2 4661.56 4953.19 65.31 o 6 5 2 62.56 56.45 4.72 o 7 5 2 2635.45 2800.20 53.76 o 8 5 2 3564.09 3860.91 67.04 o -7 6 2 1298.82 1247.74 34.16 o -6 6 2 135.90 139.51 5.07 o -5 6 2 354.99 345.91 9.98 o -4 6 2 2784.81 2628.27 42.64 o -3 6 2 2212.08 2106.12 36.72 o -2 6 2 35.94 49.54 3.13 o -1 6 2 3011.33 2941.81 43.48 o 0 6 2 2575.11 2558.77 41.30 o 1 6 2 655.09 667.94 15.86 o 2 6 2 68.49 76.91 4.16 o 3 6 2 3605.59 3586.46 54.52 o 4 6 2 10.08 16.60 3.37 o 5 6 2 431.22 500.17 16.80 o 6 6 2 452.15 517.81 14.30 o 7 6 2 122.26 140.23 7.62 o -5 7 2 1611.38 1679.39 39.03 o -4 7 2 31.43 34.50 4.05 o -3 7 2 2534.29 2393.36 44.42 o -2 7 2 4723.39 4584.02 59.64 o -1 7 2 1414.58 1404.89 33.96 o 0 7 2 0.61 4.97 7.24 o 1 7 2 1326.02 1304.38 34.38 o 2 7 2 1956.20 1898.20 42.20 o 3 7 2 276.76 337.02 10.13 o 4 7 2 1.25 1.34 6.93 o 5 7 2 10.30 5.78 9.80 o -1 8 2 106.64 105.50 6.45 o 0 8 2 322.94 388.08 10.57 o 1 8 2 934.13 977.52 23.50 o -10 1 3 5.08 15.61 4.05 o -9 1 3 0.24 2.97 6.42 o -8 1 3 188.74 187.43 5.66 o -7 1 3 20.52 14.20 3.35 o -6 1 3 2443.45 2393.89 36.21 o -5 1 3 9529.23 9441.26 65.84 o -4 1 3 6565.19 6527.36 50.66 o -3 1 3 33.50 40.70 2.35 o -2 1 3 24287.16 25403.54 86.69 o -1 1 3 55581.58 59356.50 138.89 o 0 1 3 19089.30 20358.78 57.96 o 1 1 3 277.09 312.59 8.95 o 2 1 3 11802.10 11600.05 55.66 o 3 1 3 27848.75 26955.84 96.79 o 4 1 3 7290.13 7423.23 52.73 o 5 1 3 722.67 756.97 19.00 o 6 1 3 74.70 84.76 3.67 o 7 1 3 1738.11 1594.86 32.55 o 8 1 3 78.33 91.37 4.10 o 9 1 3 41.58 38.29 4.08 o 10 1 3 301.08 346.66 9.99 o -10 2 3 541.12 565.03 14.58 o -9 2 3 1691.22 1734.04 39.03 o -8 2 3 1760.20 1604.27 35.10 o -7 2 3 327.57 334.09 9.53 o -6 2 3 2194.36 2063.13 34.28 o -5 2 3 5144.51 4946.89 48.10 o -4 2 3 786.62 779.37 18.01 o -3 2 3 1746.02 1723.18 23.68 o -2 2 3 11.05 10.89 1.57 o -1 2 3 19.37 130.74 3.50 o 0 2 3 1330.54 1265.18 18.09 o 1 2 3 13.89 141.64 3.65 o 2 2 3 2269.88 2398.47 28.01 o 3 2 3 13870.32 13917.29 75.69 o 4 2 3 5413.17 5433.30 49.36 o 5 2 3 228.75 250.88 7.77 o 6 2 3 3057.92 3086.18 43.72 o 7 2 3 11865.92 11638.92 91.52 o 8 2 3 1902.68 1979.91 40.36 o 9 2 3 514.36 435.99 12.48 o 10 2 3 1946.75 1899.60 44.88 o -9 3 3 20.47 19.59 3.59 o -8 3 3 2271.03 2178.31 41.65 o -7 3 3 6284.74 5708.94 63.33 o -6 3 3 2116.61 2038.36 34.75 o -5 3 3 2083.87 1902.69 30.90 o -4 3 3 7249.57 6940.19 54.69 o -3 3 3 4504.56 4176.01 38.15 o -2 3 3 1475.38 1359.98 20.44 o -1 3 3 3116.94 3127.04 30.32 o 0 3 3 34.79 43.18 2.32 o 1 3 3 1610.09 1526.91 24.68 o 2 3 3 9423.05 9367.44 64.18 o 3 3 3 434.57 405.19 10.50 o 4 3 3 3564.34 3656.92 43.96 o 5 3 3 7913.29 7885.29 70.73 o 6 3 3 4247.41 4079.45 54.33 o 7 3 3 112.96 268.19 8.03 o 8 3 3 3272.22 3282.36 54.75 o 9 3 3 3409.67 3627.95 60.33 o -9 4 3 1.80 5.89 7.25 o -8 4 3 8.71 16.29 3.40 o -7 4 3 678.05 665.88 16.62 o -6 4 3 1933.80 1864.62 34.54 o -5 4 3 63.64 62.72 3.03 o -4 4 3 5330.35 4924.84 49.01 o -3 4 3 14807.20 13885.33 78.71 o -2 4 3 7816.90 7044.88 52.55 o -1 4 3 465.55 479.01 10.07 o 0 4 3 12204.29 11874.92 72.56 o 1 4 3 19323.81 19381.35 101.05 o 2 4 3 9225.28 9239.53 72.46 o 3 4 3 95.95 124.73 4.62 o 4 4 3 3132.03 3208.50 45.46 o 5 4 3 2995.14 3039.30 47.61 o 6 4 3 933.63 955.29 20.40 o 7 4 3 95.21 99.45 5.35 o 8 4 3 91.91 99.45 5.50 o 9 4 3 252.81 276.65 9.43 o -8 5 3 145.37 148.52 6.72 o -7 5 3 419.70 380.15 11.06 o -6 5 3 315.50 275.74 8.91 o -5 5 3 548.82 513.28 13.55 o -4 5 3 1038.70 937.99 23.04 o -3 5 3 102.78 91.68 3.52 o -2 5 3 554.16 504.14 12.05 o -1 5 3 373.40 350.66 10.33 o 0 5 3 246.86 238.17 7.80 o 1 5 3 130.63 133.80 4.96 o 2 5 3 1557.02 1573.83 32.93 o 3 5 3 15.56 1.88 7.16 o 4 5 3 35.18 40.60 3.61 o 5 5 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