#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2216386.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_2216386_Fobs loop_ _publ_author_name 'Gao, Qian' 'Feng, Jian-Bo' 'Zhang, Chao-Yan' 'Xie, Ya-Bo' _publ_section_title ; catena-Poly[silver(I)-\m-2-phenylimidazolato-\k^2^N:N'] ; _journal_coeditor_code CV2336 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2952 _journal_volume 63 _journal_year 2007 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.590 _cell_angle_gamma 90.000 _cell_length_a 10.0910 _cell_length_b 6.9995 _cell_length_c 12.4700 _exptl_crystal_F_000 488.00 _reflns_d_resolution_high 0.7706 _[local]_cod_data_source_file cv2336Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2 in P21' _shelx_refln_list_code 4 _shelx_f_calc_maximum 260.32 _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' 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 1 -9 0 5.39 1.56 12.17 o 0 -8 0 346.90 375.65 76.16 o 1 -8 0 367.47 417.39 60.15 o 2 -8 0 386.66 423.48 43.62 o 3 -8 0 224.54 239.89 39.31 o 4 -8 0 115.24 177.15 35.69 o 5 -8 0 68.44 48.84 23.40 o 1 -7 0 18.30 32.98 13.42 o 2 -7 0 137.58 130.73 15.27 o 3 -7 0 165.14 157.70 27.98 o 4 -7 0 162.54 198.40 34.00 o 5 -7 0 179.88 122.20 28.21 o 6 -7 0 104.66 164.76 31.35 o 7 -7 0 81.14 86.54 36.85 o 8 -7 0 55.00 133.63 42.77 o 0 -6 0 3217.88 3262.27 181.77 o 1 -6 0 2385.54 2275.03 107.24 o 2 -6 0 1510.53 1425.78 51.99 o 3 -6 0 1236.31 1252.42 53.09 o 4 -6 0 685.55 672.69 35.65 o 5 -6 0 380.45 377.24 31.14 o 6 -6 0 147.11 137.25 26.93 o 7 -6 0 22.49 15.88 18.38 o 8 -6 0 26.12 59.08 26.86 o 9 -6 0 30.52 26.86 29.70 o 1 -5 0 242.25 242.64 15.71 o 2 -5 0 509.45 489.08 21.82 o 3 -5 0 727.09 733.80 30.27 o 4 -5 0 618.94 586.60 28.00 o 5 -5 0 983.47 983.45 41.87 o 6 -5 0 699.18 725.83 37.58 o 7 -5 0 233.15 247.89 25.14 o 8 -5 0 252.17 248.51 33.41 o 9 -5 0 61.65 122.84 29.42 o 10 -5 0 64.55 50.26 33.62 o 0 -4 0 15638.45 15884.64 384.89 o 1 -4 0 12069.49 12428.04 202.40 o 2 -4 0 6849.99 6993.32 129.33 o 3 -4 0 4780.37 4629.67 159.86 o 4 -4 0 2053.58 2048.11 69.99 o 5 -4 0 1492.42 1467.24 47.74 o 6 -4 0 506.48 497.33 21.49 o 7 -4 0 103.30 119.08 13.85 o 8 -4 0 79.78 127.01 35.68 o 9 -4 0 16.94 15.36 12.36 o 10 -4 0 6.23 -32.99 33.30 o 11 -4 0 5.46 6.36 19.09 o 1 -3 0 770.42 744.91 18.96 o 2 -3 0 1751.57 1740.89 48.35 o 3 -3 0 2295.02 2261.85 92.46 o 4 -3 0 2513.94 2578.18 51.97 o 5 -3 0 2729.12 2709.60 61.88 o 6 -3 0 2062.26 2040.34 51.44 o 7 -3 0 952.29 929.70 32.90 o 8 -3 0 332.03 332.77 21.35 o 9 -3 0 101.07 122.61 15.95 o 10 -3 0 178.76 200.92 25.22 o 11 -3 0 95.12 122.10 41.79 o 12 -3 0 39.51 132.39 55.11 o 0 -2 0 67766.20 68818.98 1280.63 o 1 -2 0 41601.84 42453.24 407.41 o 2 -2 0 17616.51 17858.97 183.00 o 3 -2 0 9193.43 9440.91 122.43 o 4 -2 0 6520.37 6655.81 103.88 o 5 -2 0 3814.76 3906.06 76.45 o 6 -2 0 1172.02 1136.97 34.30 o 7 -2 0 250.68 240.03 17.25 o 8 -2 0 38.71 43.83 9.24 o 9 -2 0 10.46 20.79 13.34 o 10 -2 0 7.27 7.29 11.68 o 11 -2 0 5.14 1.54 12.46 o 12 -2 0 2.39 33.77 39.74 o 1 -1 0 1134.80 1127.81 12.25 o 2 -1 0 2740.88 2808.35 35.38 o 3 -1 0 3629.82 3614.40 92.01 o 4 -1 0 5746.08 6023.51 208.90 o 5 -1 0 8051.80 8106.42 199.46 o 6 -1 0 2771.00 2844.24 68.33 o 7 -1 0 1088.27 1148.50 40.47 o 8 -1 0 584.96 605.27 30.73 o 9 -1 0 299.33 345.84 24.24 o 10 -1 0 149.52 167.05 18.23 o 11 -1 0 167.62 163.63 39.98 o 12 -1 0 46.50 84.37 54.75 o 2 0 0 19052.97 18047.40 177.66 o 3 0 0 12252.10 11980.33 179.46 o 4 0 0 8981.53 9286.83 166.63 o 5 0 0 8349.56 9300.26 213.89 o 6 0 0 1118.80 1173.14 44.81 o 7 0 0 172.07 207.98 24.06 o 8 0 0 56.87 80.61 14.69 o 9 0 0 15.46 24.02 10.39 o 10 0 0 0.01 10.10 9.36 o 11 0 0 3.23 20.51 19.61 o 12 0 0 0.99 -15.34 25.16 o 1 1 0 1128.33 1057.25 21.01 o 2 1 0 2760.18 2874.51 64.08 o 3 1 0 3637.15 3713.67 92.71 o 4 1 0 5714.75 6022.35 158.57 o 5 1 0 8086.16 8887.17 242.55 o 6 1 0 2752.99 2819.34 177.51 o 7 1 0 1090.68 1194.60 77.56 o 8 1 0 597.36 583.31 48.86 o 9 1 0 305.67 372.78 36.30 o 10 1 0 139.92 146.39 24.50 o 11 1 0 168.93 191.53 32.56 o 12 1 0 45.43 27.94 40.51 o 1 2 0 41300.75 42755.07 521.90 o 2 2 0 17771.09 17866.63 555.18 o 3 2 0 9195.36 9459.09 226.54 o 4 2 0 6497.96 6683.35 183.58 o 5 2 0 3833.97 3781.98 128.53 o 6 2 0 1170.42 1046.40 61.61 o 7 2 0 250.26 253.37 37.48 o 8 2 0 37.90 101.87 26.15 o 9 2 0 12.21 53.89 19.13 o 10 2 0 7.59 53.82 26.15 o 11 2 0 4.83 32.48 35.01 o 12 2 0 2.29 -10.38 50.74 o 1 3 0 756.11 759.07 27.76 o 2 3 0 1796.63 1823.09 53.10 o 3 3 0 2286.58 2308.95 86.84 o 4 3 0 2507.78 2581.30 94.40 o 5 3 0 2700.59 2840.62 118.33 o 6 3 0 2060.17 2196.61 105.11 o 7 3 0 1006.44 1093.05 75.52 o 8 3 0 320.77 335.45 46.49 o 9 3 0 101.59 112.30 43.76 o 10 3 0 174.03 167.19 43.52 o 11 3 0 93.69 99.42 48.68 o 12 3 0 40.35 -46.13 63.76 o 0 4 0 15339.97 15525.86 472.37 o 1 4 0 12072.23 12495.63 301.65 o 2 4 0 7012.33 7166.80 169.84 o 3 4 0 4772.53 4701.30 128.41 o 4 4 0 2026.02 1991.33 96.72 o 5 4 0 1474.94 1537.88 84.46 o 6 4 0 515.48 551.71 47.14 o 7 4 0 111.88 181.92 39.45 o 8 4 0 81.01 85.66 33.52 o 9 4 0 16.90 30.84 29.24 o 10 4 0 6.72 -2.03 32.72 o 11 4 0 5.08 -15.58 26.28 o 1 5 0 245.27 279.33 22.83 o 2 5 0 515.68 491.07 30.15 o 3 5 0 724.77 691.77 30.76 o 4 5 0 605.35 582.50 28.33 o 5 5 0 964.57 940.72 42.77 o 6 5 0 720.10 801.30 70.82 o 7 5 0 256.02 277.89 57.85 o 8 5 0 248.57 210.70 42.38 o 9 5 0 54.89 81.45 33.91 o 10 5 0 63.77 81.47 45.75 o 0 6 0 3168.33 2901.74 155.08 o 1 6 0 2385.30 2490.35 97.20 o 2 6 0 1533.18 1327.11 136.62 o 3 6 0 1253.08 1382.94 104.08 o 4 6 0 671.30 685.78 59.05 o 5 6 0 374.20 419.91 55.47 o 6 6 0 151.54 199.28 39.75 o 7 6 0 24.03 42.46 30.53 o 8 6 0 29.32 24.61 50.07 o 9 6 0 32.00 21.32 38.09 o 1 7 0 18.95 39.76 26.98 o 2 7 0 137.63 162.75 35.64 o 3 7 0 160.91 166.11 33.20 o 4 7 0 158.66 154.27 48.13 o 5 7 0 181.52 189.25 38.28 o 6 7 0 107.92 135.14 36.64 o 7 7 0 84.05 137.22 56.58 o 8 7 0 56.94 34.67 43.20 o 1 8 0 370.66 385.07 59.37 o 2 8 0 387.18 366.62 57.01 o 3 8 0 224.94 199.18 49.39 o 4 8 0 115.46 46.05 34.57 o 5 8 0 67.60 56.19 33.23 o 1 9 0 5.10 -4.58 17.65 o -1 -9 1 15.19 10.29 23.32 o 0 -9 1 13.81 12.93 36.35 o -6 -8 1 22.96 10.38 37.54 o -5 -8 1 17.74 9.78 16.79 o -4 -8 1 5.13 -14.64 20.79 o -3 -8 1 19.46 76.74 31.49 o -2 -8 1 9.87 72.25 28.00 o -1 -8 1 7.38 43.83 22.46 o 0 -8 1 51.15 45.68 14.72 o 1 -8 1 133.28 165.87 28.46 o 2 -8 1 141.04 163.65 30.50 o 3 -8 1 39.45 25.63 45.12 o 4 -8 1 17.15 -12.59 16.20 o 5 -8 1 20.56 5.39 24.48 o -8 -7 1 13.64 -10.82 29.37 o -7 -7 1 8.82 16.90 48.19 o -6 -7 1 10.28 -14.10 18.51 o -5 -7 1 103.41 93.67 22.84 o -4 -7 1 124.09 133.16 25.73 o -3 -7 1 77.09 79.89 14.87 o -2 -7 1 39.58 39.29 9.95 o -1 -7 1 66.19 82.20 12.90 o 0 -7 1 86.99 99.98 16.70 o 1 -7 1 88.09 108.27 14.09 o 2 -7 1 46.81 82.05 19.51 o 3 -7 1 27.65 49.36 19.59 o 4 -7 1 60.96 76.16 26.86 o 5 -7 1 85.71 109.23 23.71 o 6 -7 1 32.19 10.69 26.58 o 7 -7 1 16.90 0.97 29.85 o -9 -6 1 32.20 44.29 31.93 o -8 -6 1 35.82 81.27 26.16 o -7 -6 1 116.59 208.97 107.65 o -6 -6 1 91.40 131.56 18.59 o -5 -6 1 122.99 161.03 22.82 o -4 -6 1 84.95 104.12 21.21 o -3 -6 1 37.93 48.15 12.74 o -2 -6 1 66.49 51.71 12.79 o -1 -6 1 31.72 29.86 9.05 o 0 -6 1 164.91 160.43 13.36 o 1 -6 1 418.00 402.77 45.50 o 2 -6 1 427.58 432.46 32.42 o 3 -6 1 203.72 244.97 26.47 o 4 -6 1 49.82 43.94 14.20 o 5 -6 1 40.39 74.50 33.15 o 6 -6 1 91.05 103.23 24.03 o 7 -6 1 115.40 112.24 22.52 o 8 -6 1 38.18 10.33 22.86 o 9 -6 1 10.30 -6.86 46.42 o -10 -5 1 74.75 82.70 36.90 o -9 -5 1 163.63 181.76 32.97 o -8 -5 1 63.50 64.64 14.47 o -7 -5 1 30.75 22.50 10.69 o -6 -5 1 95.62 106.23 15.98 o -5 -5 1 369.82 368.69 24.54 o -4 -5 1 269.20 289.26 31.99 o -3 -5 1 194.10 188.54 14.80 o -2 -5 1 105.85 97.81 12.09 o -1 -5 1 240.08 225.98 13.98 o 0 -5 1 219.05 225.95 13.58 o 1 -5 1 150.50 155.90 11.76 o 2 -5 1 324.45 351.61 20.47 o 3 -5 1 188.29 196.38 14.99 o 4 -5 1 222.30 216.76 16.20 o 5 -5 1 274.60 252.31 18.35 o 6 -5 1 172.50 133.45 14.61 o 7 -5 1 117.49 136.07 22.04 o 8 -5 1 105.54 87.45 22.30 o 9 -5 1 83.78 94.58 35.67 o 10 -5 1 30.02 -13.17 38.12 o -11 -4 1 7.13 58.16 46.79 o -10 -4 1 39.83 59.13 26.62 o -9 -4 1 57.84 75.25 14.90 o -8 -4 1 209.07 191.51 17.80 o -7 -4 1 351.27 362.59 22.08 o -6 -4 1 359.72 382.07 19.12 o -5 -4 1 479.48 465.69 18.78 o -4 -4 1 381.38 399.75 20.81 o -3 -4 1 369.34 367.79 16.86 o -2 -4 1 56.30 55.88 6.81 o -1 -4 1 228.05 247.65 11.95 o 0 -4 1 397.85 376.07 15.73 o 1 -4 1 489.49 459.89 15.38 o 2 -4 1 1233.01 1245.45 35.64 o 3 -4 1 331.23 330.54 15.03 o 4 -4 1 44.69 31.50 8.82 o 5 -4 1 289.79 269.22 12.27 o 6 -4 1 135.57 159.62 15.97 o 7 -4 1 484.40 487.26 31.99 o 8 -4 1 39.49 44.76 14.55 o 9 -4 1 66.12 57.32 13.87 o 10 -4 1 100.04 132.42 48.59 o 11 -4 1 45.42 69.02 45.17 o -12 -3 1 74.52 36.82 51.31 o -11 -3 1 145.55 171.01 34.53 o -10 -3 1 210.48 192.04 23.84 o -9 -3 1 300.61 324.40 22.21 o -8 -3 1 354.70 324.59 20.16 o -7 -3 1 74.57 74.03 9.51 o -6 -3 1 104.36 96.94 9.71 o -5 -3 1 227.73 230.47 13.53 o -4 -3 1 733.14 735.80 39.13 o -3 -3 1 283.64 277.03 10.94 o -2 -3 1 560.81 539.79 15.83 o -1 -3 1 274.70 260.47 16.33 o 0 -3 1 98.03 101.25 7.60 o 1 -3 1 469.61 455.81 13.34 o 2 -3 1 1043.79 1066.89 26.58 o 3 -3 1 638.57 624.68 14.70 o 4 -3 1 1116.81 1127.92 25.95 o 5 -3 1 735.08 740.27 21.78 o 6 -3 1 298.52 303.09 13.91 o 7 -3 1 462.26 428.94 50.07 o 8 -3 1 317.01 310.76 28.40 o 9 -3 1 171.98 161.80 20.66 o 10 -3 1 82.84 85.08 18.02 o 11 -3 1 17.68 -13.29 20.37 o -12 -2 1 5.20 -1.34 17.15 o -11 -2 1 25.05 100.48 19.75 o -10 -2 1 25.96 44.51 15.19 o -9 -2 1 55.63 75.93 13.75 o -8 -2 1 393.98 405.08 23.40 o -7 -2 1 1043.11 1025.39 34.73 o -6 -2 1 808.17 767.07 29.96 o -5 -2 1 1253.34 1269.22 32.57 o -4 -2 1 1283.60 1313.01 29.77 o -3 -2 1 875.12 850.84 20.77 o -2 -2 1 319.61 304.97 8.16 o -1 -2 1 993.03 1044.72 20.04 o 0 -2 1 1124.85 1202.49 21.60 o 1 -2 1 2548.29 2605.76 41.64 o 2 -2 1 400.50 430.26 12.13 o 3 -2 1 187.07 182.42 6.47 o 4 -2 1 109.20 108.76 6.95 o 5 -2 1 399.75 407.26 15.57 o 6 -2 1 645.67 605.20 22.01 o 7 -2 1 463.68 450.68 23.20 o 8 -2 1 101.02 115.05 14.02 o 9 -2 1 73.29 100.95 13.70 o 10 -2 1 142.07 178.49 19.80 o 11 -2 1 141.54 175.26 33.71 o 12 -2 1 82.82 97.48 105.87 o -12 -1 1 120.48 132.22 34.51 o -11 -1 1 190.19 191.14 43.41 o -10 -1 1 501.03 523.32 64.99 o -9 -1 1 651.90 628.89 39.33 o -8 -1 1 332.86 359.20 20.94 o -7 -1 1 18.11 15.49 10.48 o -6 -1 1 39.11 36.10 7.18 o -5 -1 1 112.27 135.50 8.85 o -4 -1 1 895.43 932.55 21.42 o -3 -1 1 269.38 272.05 13.10 o -2 -1 1 4142.29 4300.40 49.06 o -1 -1 1 1159.68 1178.34 15.96 o 0 -1 1 401.22 382.73 13.81 o 1 -1 1 111.92 115.24 3.26 o 2 -1 1 2645.48 2729.47 34.70 o 3 -1 1 1210.16 1205.20 29.32 o 4 -1 1 2409.70 2507.23 60.29 o 5 -1 1 1311.67 1324.60 53.28 o 6 -1 1 799.51 767.07 27.22 o 7 -1 1 556.26 580.76 24.55 o 8 -1 1 465.79 486.25 28.40 o 9 -1 1 428.59 453.83 27.90 o 10 -1 1 132.85 119.93 21.66 o 11 -1 1 15.72 28.64 24.28 o 12 -1 1 3.15 3.73 27.98 o -12 0 1 1.87 -9.61 19.40 o -11 0 1 42.13 61.12 30.65 o -10 0 1 13.25 44.86 25.63 o -9 0 1 41.85 62.84 15.07 o -8 0 1 522.78 546.76 33.40 o -7 0 1 1326.95 1413.38 51.85 o -6 0 1 1274.63 1286.74 43.27 o -5 0 1 1754.05 1749.58 47.52 o -4 0 1 1688.24 1743.52 59.10 o -3 0 1 973.72 992.89 24.98 o -2 0 1 7.25 71.45 13.22 o 2 0 1 1803.59 1901.48 53.07 o 3 0 1 25.41 39.10 9.14 o 4 0 1 1045.02 1167.77 37.24 o 5 0 1 122.44 159.30 21.44 o 6 0 1 362.69 370.91 22.79 o 7 0 1 907.22 983.59 46.49 o 8 0 1 236.48 279.32 39.66 o 9 0 1 26.75 41.61 12.56 o 10 0 1 192.65 225.69 26.95 o 11 0 1 206.02 252.70 56.68 o 12 0 1 95.02 101.74 27.77 o -12 1 1 122.15 174.50 45.39 o -11 1 1 187.17 208.50 37.00 o -10 1 1 501.65 541.25 57.89 o -9 1 1 656.32 620.05 47.67 o -8 1 1 327.96 333.36 37.54 o -7 1 1 16.39 35.01 21.19 o -6 1 1 48.66 64.60 14.26 o -5 1 1 103.31 131.06 22.76 o -4 1 1 882.68 896.04 34.54 o -3 1 1 254.17 270.63 15.33 o -2 1 1 4102.03 4405.78 138.53 o -1 1 1 1170.37 1104.45 55.46 o 0 1 1 390.23 384.91 5.72 o 1 1 1 98.14 95.65 6.67 o 2 1 1 2645.14 2556.90 76.58 o 3 1 1 1188.24 1209.18 33.78 o 4 1 1 2400.06 2536.57 65.35 o 5 1 1 1315.27 1287.61 53.37 o 6 1 1 818.00 945.21 62.34 o 7 1 1 542.46 457.80 44.03 o 8 1 1 461.24 487.50 47.22 o 9 1 1 430.13 471.33 45.44 o 10 1 1 130.53 120.01 27.04 o 11 1 1 15.70 5.74 18.67 o 12 1 1 3.24 -7.33 17.68 o -12 2 1 4.46 3.40 21.63 o -11 2 1 26.70 13.99 39.20 o -10 2 1 29.73 52.90 27.64 o -9 2 1 66.59 60.79 33.22 o -8 2 1 380.22 447.98 56.59 o -7 2 1 1037.80 1121.84 77.40 o -6 2 1 832.95 807.90 50.66 o -5 2 1 1239.09 1206.89 67.51 o -4 2 1 1259.97 1248.71 51.97 o -3 2 1 852.41 819.65 38.80 o -2 2 1 329.42 348.24 27.80 o -1 2 1 989.69 1039.08 69.77 o 0 2 1 1126.31 1126.67 38.37 o 1 2 1 2624.87 2640.84 40.63 o 2 2 1 431.88 373.53 55.22 o 3 2 1 199.44 187.37 17.11 o 4 2 1 123.76 143.24 22.12 o 5 2 1 407.09 461.90 35.06 o 6 2 1 649.54 751.37 62.58 o 7 2 1 448.85 469.04 53.28 o 8 2 1 102.59 162.92 39.30 o 9 2 1 77.48 100.86 37.88 o 10 2 1 145.17 120.74 31.80 o 11 2 1 142.19 158.84 96.50 o 12 2 1 79.69 97.46 49.09 o -12 3 1 76.23 87.05 41.99 o -11 3 1 143.20 173.23 57.23 o -10 3 1 210.25 231.04 43.19 o -9 3 1 292.37 265.90 42.40 o -8 3 1 368.81 442.84 47.53 o -7 3 1 86.52 81.88 36.51 o -6 3 1 88.65 89.81 24.28 o -5 3 1 207.09 208.86 23.94 o -4 3 1 735.02 794.93 42.55 o -3 3 1 257.00 259.03 40.42 o -2 3 1 521.76 479.43 72.21 o -1 3 1 255.87 262.38 15.75 o 0 3 1 99.90 122.85 23.64 o 1 3 1 468.90 400.86 20.23 o 2 3 1 1021.59 979.69 52.54 o 3 3 1 620.73 618.84 42.03 o 4 3 1 1117.62 1142.55 57.21 o 5 3 1 743.56 667.67 83.80 o 6 3 1 293.99 235.03 36.64 o 7 3 1 457.97 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