#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:23:45 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/90/2019056.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_2019056_Fobs loop_ _publ_author_name 'Guo, Jun-Fang' 'Guo, Bing-Xin' 'Wu, Jiang-Yu' 'Yan, Guo-Ping' _publ_section_title ; A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine ; _journal_coeditor_code SK3483 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 742 _journal_page_last 744 _journal_volume 69 _journal_year 2013 _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 105.987 _cell_angle_gamma 90.000 _cell_length_a 9.4006 _cell_length_b 27.4612 _cell_length_c 9.5349 _exptl_crystal_F_000 1152.00 _reflns_d_resolution_high 0.8098 _cod_data_source_file sk3483Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21N in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 411.72 _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 1 0 0 1340.85 1455.63 25.06 o 2 0 0 17607.23 20449.13 243.00 o 3 0 0 7268.65 7874.00 107.57 o 4 0 0 11517.56 12544.87 202.06 o 5 0 0 19331.26 22402.83 346.20 o 6 0 0 2318.47 2497.07 70.22 o 7 0 0 8957.14 9890.47 186.98 o 8 0 0 404.38 431.62 61.83 o 9 0 0 7593.23 8189.08 260.42 o 10 0 0 2910.95 3104.90 153.79 o 11 0 0 1597.55 1576.42 118.76 o 1 1 0 713.35 822.17 14.03 o 2 1 0 445.83 452.48 13.66 o 3 1 0 11676.99 13164.01 129.53 o 4 1 0 4179.83 4680.58 58.80 o 5 1 0 2329.76 2679.75 47.92 o 6 1 0 3852.61 4022.06 66.42 o 7 1 0 1.15 3.40 17.57 o 8 1 0 1283.10 1396.54 66.24 o 9 1 0 296.41 271.48 41.98 o 10 1 0 965.67 987.41 67.42 o 11 1 0 1029.46 875.22 69.37 o 0 2 0 2386.09 2182.96 54.00 o 1 2 0 124.47 143.88 6.54 o 2 2 0 475.29 499.34 14.69 o 3 2 0 1059.75 1147.71 23.05 o 4 2 0 7415.19 8862.64 96.50 o 5 2 0 407.77 400.64 18.43 o 6 2 0 311.28 353.10 21.07 o 7 2 0 723.58 784.20 31.79 o 8 2 0 154.18 144.76 32.56 o 9 2 0 334.12 289.36 41.85 o 10 2 0 205.57 225.50 44.33 o 11 2 0 34.92 77.58 36.52 o 1 3 0 19596.21 21589.72 416.13 o 2 3 0 4658.77 5201.82 56.63 o 3 3 0 3793.32 4031.32 49.80 o 4 3 0 12075.72 13781.38 154.16 o 5 3 0 3607.08 3796.96 55.17 o 6 3 0 9463.76 9799.45 131.00 o 7 3 0 726.59 727.88 39.48 o 8 3 0 869.83 882.07 53.88 o 9 3 0 25.77 47.53 42.56 o 10 3 0 2408.65 2465.90 126.30 o 11 3 0 1379.55 1503.18 140.78 o 0 4 0 86951.82 76984.57 1106.75 o 1 4 0 2296.04 2416.55 55.30 o 2 4 0 119.53 128.13 14.77 o 3 4 0 1642.03 1468.47 26.43 o 4 4 0 4020.22 4283.59 55.94 o 5 4 0 12413.17 13724.45 157.92 o 6 4 0 991.66 1012.74 30.14 o 7 4 0 3529.22 3537.73 68.58 o 8 4 0 163.32 178.85 38.84 o 9 4 0 5245.82 5801.46 205.25 o 10 4 0 1083.95 1178.11 74.94 o 11 4 0 777.55 725.51 64.30 o 1 5 0 929.01 934.78 19.22 o 2 5 0 635.80 635.88 18.26 o 3 5 0 1702.12 1819.72 52.78 o 4 5 0 1375.97 1506.39 37.08 o 5 5 0 31.42 33.51 10.62 o 6 5 0 119.79 140.39 18.00 o 7 5 0 105.90 104.54 33.47 o 8 5 0 95.73 82.47 26.84 o 9 5 0 12.02 -5.67 47.25 o 10 5 0 368.77 385.40 48.66 o 11 5 0 1.26 15.87 40.21 o 0 6 0 68624.05 66846.48 939.69 o 1 6 0 161.46 147.17 9.45 o 2 6 0 16815.45 18290.98 534.52 o 3 6 0 8136.17 8373.53 168.36 o 4 6 0 13505.26 14992.60 215.25 o 5 6 0 19246.50 21364.84 296.16 o 6 6 0 45.69 44.93 15.33 o 7 6 0 10479.13 10855.53 384.98 o 8 6 0 594.11 526.01 37.97 o 9 6 0 4005.85 4005.72 117.36 o 10 6 0 415.76 424.20 51.53 o 1 7 0 19031.86 19274.29 308.48 o 2 7 0 789.72 759.23 28.38 o 3 7 0 3172.93 3111.19 68.71 o 4 7 0 8527.07 8616.55 133.76 o 5 7 0 4601.47 4726.51 71.96 o 6 7 0 11083.31 11632.74 146.36 o 7 7 0 43.35 69.13 22.77 o 8 7 0 649.28 588.65 39.75 o 9 7 0 1969.67 2048.47 140.68 o 10 7 0 1359.35 1339.02 73.76 o 0 8 0 8356.99 8252.27 129.48 o 1 8 0 28.58 22.91 8.11 o 2 8 0 6046.21 6428.07 103.55 o 3 8 0 828.34 920.74 23.97 o 4 8 0 96.26 91.79 12.85 o 5 8 0 1603.96 1543.23 42.55 o 6 8 0 121.02 64.14 20.47 o 7 8 0 13.96 19.99 22.51 o 8 8 0 741.08 674.40 66.51 o 9 8 0 1100.75 1193.13 76.88 o 10 8 0 2.76 3.03 27.39 o 1 9 0 5829.69 5453.80 149.51 o 2 9 0 1708.78 1668.47 32.36 o 3 9 0 3293.19 3124.32 47.83 o 4 9 0 980.77 824.47 26.49 o 5 9 0 572.62 530.44 25.13 o 6 9 0 2472.14 2437.05 78.06 o 7 9 0 269.28 279.74 29.64 o 8 9 0 1725.36 1724.11 59.08 o 9 9 0 51.05 35.11 22.03 o 10 9 0 2648.65 2782.11 102.50 o 0 10 0 4627.60 4199.02 117.00 o 1 10 0 57.04 68.91 15.13 o 2 10 0 27396.94 29179.78 496.48 o 3 10 0 23.69 7.41 8.91 o 4 10 0 10113.26 10832.28 197.02 o 5 10 0 10752.63 11706.67 242.70 o 6 10 0 519.71 467.85 31.73 o 7 10 0 4411.89 4400.71 220.86 o 8 10 0 51.49 33.65 21.08 o 9 10 0 974.02 1025.44 50.42 o 10 10 0 113.68 114.97 36.93 o 1 11 0 4066.60 3794.85 104.95 o 2 11 0 35.46 35.67 8.95 o 3 11 0 85.14 82.21 11.05 o 4 11 0 172.33 167.60 15.54 o 5 11 0 823.31 861.21 31.26 o 6 11 0 670.08 600.80 34.05 o 7 11 0 95.74 99.49 32.44 o 8 11 0 11.67 -17.58 17.58 o 9 11 0 140.59 151.50 34.85 o 10 11 0 185.98 173.71 40.04 o 0 12 0 1739.18 1506.83 40.05 o 1 12 0 1145.90 1070.51 26.59 o 2 12 0 9653.64 10083.40 245.68 o 3 12 0 455.24 445.94 18.76 o 4 12 0 3020.08 3016.19 63.60 o 5 12 0 688.78 680.60 36.66 o 6 12 0 409.76 383.13 38.84 o 7 12 0 2069.16 2031.98 71.70 o 8 12 0 31.07 36.20 37.96 o 9 12 0 207.71 156.66 37.54 o 10 12 0 0.57 -11.17 28.22 o 1 13 0 8094.84 7514.41 137.41 o 2 13 0 2466.80 2287.24 71.34 o 3 13 0 3859.39 3480.15 67.72 o 4 13 0 5114.24 4992.87 160.58 o 5 13 0 2104.06 2033.03 52.95 o 6 13 0 4185.61 3932.62 129.66 o 7 13 0 394.55 351.04 55.27 o 8 13 0 1377.07 1165.31 66.04 o 9 13 0 389.39 362.73 46.88 o 10 13 0 1553.34 1403.94 106.34 o 0 14 0 2678.40 2457.35 87.36 o 1 14 0 54.97 44.35 11.92 o 2 14 0 3064.73 2976.68 52.75 o 3 14 0 222.95 161.43 14.29 o 4 14 0 1627.97 1571.95 45.81 o 5 14 0 2548.82 2445.14 102.15 o 6 14 0 164.00 110.24 32.58 o 7 14 0 2621.32 2397.63 135.00 o 8 14 0 83.04 55.22 37.47 o 9 14 0 191.11 178.96 60.26 o 10 14 0 1.96 15.38 29.77 o 1 15 0 8431.08 8887.49 221.66 o 2 15 0 79.77 79.79 12.19 o 3 15 0 1082.37 1050.52 42.27 o 4 15 0 120.70 114.75 15.57 o 5 15 0 588.33 482.30 41.09 o 6 15 0 392.82 405.21 42.19 o 7 15 0 3.46 -21.95 21.95 o 8 15 0 457.85 376.22 78.65 o 9 15 0 69.82 99.83 32.28 o 10 15 0 31.31 -7.44 33.65 o 0 16 0 265.00 157.46 17.90 o 1 16 0 147.17 127.58 12.24 o 2 16 0 8931.34 9316.64 241.29 o 3 16 0 661.98 605.54 23.50 o 4 16 0 2666.89 2581.04 94.47 o 5 16 0 1907.67 1807.17 70.52 o 6 16 0 471.41 418.82 50.87 o 7 16 0 3141.18 2994.61 99.99 o 8 16 0 0.81 6.97 24.14 o 9 16 0 1801.01 1822.27 137.94 o 1 17 0 4853.36 4875.22 84.41 o 2 17 0 1685.79 1502.92 43.69 o 3 17 0 204.73 226.22 22.73 o 4 17 0 401.15 443.76 29.98 o 5 17 0 41.26 34.36 25.55 o 6 17 0 1049.87 967.33 146.06 o 7 17 0 186.12 158.13 34.40 o 8 17 0 789.84 840.96 95.68 o 9 17 0 69.92 80.63 38.15 o 0 18 0 203.73 188.04 20.20 o 1 18 0 264.69 309.28 35.08 o 2 18 0 47.99 56.28 18.98 o 3 18 0 291.90 273.49 24.52 o 4 18 0 950.90 905.43 50.53 o 5 18 0 592.40 623.70 55.37 o 6 18 0 22.17 1.69 22.25 o 7 18 0 93.11 51.42 28.18 o 8 18 0 18.65 -2.16 26.67 o 9 18 0 86.27 82.50 39.13 o 1 19 0 1660.06 1552.47 45.16 o 2 19 0 1170.28 1048.11 38.61 o 3 19 0 1493.57 1400.85 45.97 o 4 19 0 610.11 564.44 69.26 o 5 19 0 996.09 941.58 118.67 o 6 19 0 1691.94 1419.64 67.15 o 7 19 0 9.04 -2.57 24.00 o 8 19 0 1971.61 1774.35 83.82 o 9 19 0 279.13 212.37 42.81 o 0 20 0 6160.28 6333.65 193.51 o 1 20 0 17.68 24.55 18.47 o 2 20 0 1141.18 1059.54 39.65 o 3 20 0 3750.79 3628.70 68.27 o 4 20 0 1360.17 1287.90 83.06 o 5 20 0 1368.04 1258.68 61.80 o 6 20 0 402.47 322.09 40.44 o 7 20 0 1052.23 1020.02 62.99 o 8 20 0 209.35 194.03 40.14 o 9 20 0 598.60 534.84 57.46 o 1 21 0 21.59 16.70 21.58 o 2 21 0 191.41 186.39 22.82 o 3 21 0 22.78 20.57 15.52 o 4 21 0 1319.56 1192.85 58.46 o 5 21 0 6.28 -18.56 18.56 o 6 21 0 227.09 160.78 33.32 o 7 21 0 31.52 8.99 25.46 o 8 21 0 0.57 -20.11 44.02 o 0 22 0 5316.55 5418.17 180.40 o 1 22 0 9.52 6.97 20.68 o 2 22 0 957.69 1107.64 68.19 o 3 22 0 328.58 342.60 29.68 o 4 22 0 66.26 117.41 29.05 o 5 22 0 288.65 274.70 36.44 o 6 22 0 284.97 264.73 39.54 o 7 22 0 543.58 514.98 68.68 o 8 22 0 13.05 29.82 28.38 o 1 23 0 2132.46 2122.17 75.60 o 2 23 0 320.34 363.88 37.93 o 3 23 0 2879.81 2899.91 74.38 o 4 23 0 344.33 327.58 30.31 o 5 23 0 456.95 366.76 40.47 o 6 23 0 544.54 574.63 50.69 o 7 23 0 5.85 -7.38 26.41 o 8 23 0 576.03 540.34 56.64 o 0 24 0 2861.08 3217.40 136.18 o 1 24 0 1.25 32.89 22.20 o 2 24 0 0.57 -15.09 43.53 o 3 24 0 595.12 572.72 46.35 o 4 24 0 394.56 404.54 42.82 o 5 24 0 197.48 193.01 28.42 o 6 24 0 55.40 34.75 45.45 o 7 24 0 308.15 273.35 43.41 o 1 25 0 575.76 768.91 50.69 o 2 25 0 24.17 17.37 47.74 o 3 25 0 518.63 522.80 99.49 o 4 25 0 897.59 822.92 57.13 o 5 25 0 217.34 234.52 39.78 o 6 25 0 329.15 292.65 63.88 o 7 25 0 166.78 158.92 32.57 o 0 26 0 5631.08 6028.82 206.81 o 1 26 0 8.31 21.17 26.12 o 2 26 0 120.30 168.50 31.82 o 3 26 0 436.05 426.15 124.93 o 4 26 0 405.69 420.07 44.25 o 5 26 0 191.67 184.54 36.37 o 6 26 0 61.49 85.54 33.16 o 7 26 0 756.21 898.39 70.77 o 1 27 0 0.80 -7.08 21.72 o 2 27 0 20.15 10.25 44.90 o 3 27 0 225.96 270.16 38.77 o 4 27 0 514.14 556.90 50.31 o 5 27 0 6.90 2.71 23.56 o 6 27 0 247.63 378.64 50.73 o 0 28 0 279.15 356.68 60.07 o 1 28 0 203.94 217.30 35.07 o 2 28 0 144.18 110.55 45.39 o 3 28 0 121.04 123.12 29.45 o 4 28 0 42.51 72.19 27.64 o 5 28 0 232.87 249.10 65.55 o 6 28 0 2.64 12.57 29.85 o 1 29 0 95.63 137.49 33.38 o 2 29 0 59.23 120.53 44.02 o 3 29 0 392.92 436.85 46.40 o 4 29 0 444.65 446.85 49.40 o 5 29 0 372.94 381.54 47.80 o 0 30 0 1855.69 1967.34 118.37 o 1 30 0 23.30 39.86 26.35 o 2 30 0 265.66 351.99 65.15 o 3 30 0 31.59 23.68 32.87 o 4 30 0 90.30 170.43 36.06 o 5 30 0 421.45 472.56 133.93 o 1 31 0 80.88 144.26 34.55 o 2 31 0 37.52 71.22 41.48 o 3 31 0 44.23 39.21 30.13 o 4 31 0 27.59 5.40 28.08 o 0 32 0 121.69 155.74 53.22 o 1 32 0 6.76 17.41 33.65 o 2 32 0 111.53 98.61 47.54 o 3 32 0 12.69 -18.83 18.83 o 1 33 0 439.52 524.56 80.02 o 2 33 0 1.51 34.69 24.96 o -11 1 1 271.77 314.96 49.50 o -10 1 1 317.90 346.09 46.81 o -9 1 1 968.09 958.60 59.19 o -8 1 1 761.28 816.42 35.40 o -7 1 1 2866.39 2963.98 60.89 o -6 1 1 500.54 538.63 25.62 o -5 1 1 3184.95 3423.67 51.58 o -4 1 1 4796.47 5566.93 67.45 o -3 1 1 78.89 70.90 9.34 o -2 1 1 6148.09 7276.28 74.18 o -1 1 1 2792.18 3055.22 42.16 o 0 1 1 25298.93 28137.09 253.23 o 1 1 1 4918.83 5186.85 94.21 o 2 1 1 17041.61 18145.70 217.85 o 3 1 1 2176.49 2216.31 37.43 o 4 1 1 23088.15 26283.92 320.02 o 5 1 1 329.89 276.03 19.82 o 6 1 1 900.53 956.73 36.55 o 7 1 1 5831.51 6298.44 142.22 o 8 1 1 969.28 1121.72 59.68 o 9 1 1 657.36 656.59 55.06 o 10 1 1 41.65 83.14 34.85 o -11 2 1 303.18 269.80 47.51 o -10 2 1 3540.87 3446.05 114.14 o -9 2 1 704.15 694.69 53.40 o -8 2 1 1294.83 1278.53 41.81 o -7 2 1 706.83 786.86 32.55 o -6 2 1 18527.95 21153.54 214.12 o -5 2 1 873.79 961.13 26.90 o -4 2 1 11618.84 14242.93 144.30 o -3 2 1 5548.98 6174.45 68.93 o -2 2 1 2197.49 2725.11 34.70 o -1 2 1 11151.48 12186.31 378.60 o 0 2 1 749.75 692.10 10.48 o 1 2 1 11027.77 11963.43 290.23 o 2 2 1 818.81 815.81 31.29 o 3 2 1 13596.73 13947.06 205.18 o 4 2 1 8567.88 9800.76 117.94 o 5 2 1 3713.40 3749.53 61.56 o 6 2 1 4221.44 4418.02 96.26 o 7 2 1 2037.89 2107.31 139.60 o 8 2 1 1742.10 1746.11 72.95 o 9 2 1 185.29 228.47 38.56 o 10 2 1 2876.69 2725.62 118.08 o -11 3 1 160.94 203.84 51.56 o -10 3 1 277.49 246.13 70.34 o -9 3 1 96.12 128.05 23.84 o -8 3 1 1.35 33.89 18.15 o -7 3 1 1155.61 1142.37 34.86 o -6 3 1 20.21 13.33 14.87 o -5 3 1 159.80 150.10 13.85 o -4 3 1 491.01 543.85 19.32 o -3 3 1 41.15 63.95 8.93 o -2 3 1 3065.47 3432.53 41.07 o -1 3 1 2752.77 2992.04 44.85 o 0 3 1 7142.78 7247.13 82.51 o 1 3 1 69.04 33.69 6.85 o 2 3 1 116.70 97.43 10.03 o 3 3 1 352.17 409.43 22.43 o 4 3 1 81.76 64.09 11.49 o 5 3 1 1298.87 1301.35 33.74 o 6 3 1 41.24 39.00 22.86 o 7 3 1 440.25 454.74 47.54 o 8 3 1 102.20 124.63 30.36 o 9 3 1 55.22 71.81 30.90 o 10 3 1 0.83 -10.17 28.64 o -11 4 1 338.63 352.58 111.62 o -10 4 1 424.28 518.58 105.66 o -9 4 1 375.29 371.09 32.77 o -8 4 1 1924.60 2016.95 61.34 o -7 4 1 1196.78 1163.27 35.31 o -6 4 1 4735.76 4859.29 69.40 o -5 4 1 10.53 28.87 10.70 o -4 4 1 780.51 666.89 33.35 o -3 4 1 13213.10 15621.57 151.97 o -2 4 1 687.45 758.93 26.01 o -1 4 1 30737.46 32376.08 1111.03 o 0 4 1 651.49 624.09 26.65 o 1 4 1 4527.32 4510.73 66.54 o 2 4 1 1268.92 1267.52 53.48 o 3 4 1 701.60 618.53 42.93 o 4 4 1 3358.04 3454.29 57.64 o 5 4 1 3054.45 2912.98 55.72 o 6 4 1 5694.68 5993.51 121.04 o 7 4 1 33.63 82.84 27.64 o 8 4 1 279.61 299.08 40.04 o 9 4 1 147.31 188.41 37.69 o 10 4 1 1350.26 1229.18 70.76 o 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