#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:27:23 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181048 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/28/2212807.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_2212807_Fobs loop_ _publ_author_name 'Li, Yu-Feng' 'Wu, Hui' 'Li, Yi-Zhi' 'Zhang, Hong' 'Pan, Yi' _publ_section_title ; Bis(\m-3-methylbut-2-enoato-\k^2^O:O)bis{[(2-methoxyphenyl)diphenylphosphine-\kP]silver(I)} ; _journal_coeditor_code CF2093 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1068 _journal_page_last m1069 _journal_volume 63 _journal_year 2007 _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 105.090 _cell_angle_gamma 90.000 _cell_length_a 8.6740 _cell_length_b 16.5000 _cell_length_c 16.3650 _exptl_crystal_F_000 1016.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file cf2093Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' S in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 255.99 _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 48.12 161.96 43.86 o 2 0 0 22658.78 22068.65 339.16 o 3 0 0 7193.01 6872.93 183.71 o 4 0 0 1063.40 1115.65 56.53 o 5 0 0 2865.11 3312.13 79.30 o 6 0 0 21270.22 20540.91 209.62 o 7 0 0 0.73 4.92 43.57 o 8 0 0 1112.64 1245.03 122.47 o 9 0 0 1232.06 1293.46 29.44 o 10 0 0 9.93 128.65 126.03 o 1 1 0 895.88 994.03 252.01 o 2 1 0 640.38 669.05 43.55 o 3 1 0 763.42 877.58 64.77 o 4 1 0 35.17 56.21 98.24 o 5 1 0 787.17 1354.88 270.85 o 6 1 0 26.19 72.85 104.96 o 7 1 0 5.15 30.68 95.82 o 8 1 0 807.77 1091.06 196.66 o 9 1 0 2.22 51.09 128.36 o 10 1 0 2.09 3.87 29.92 o 0 2 0 54823.62 52554.17 147.20 o 1 2 0 192.62 367.39 81.20 o 2 2 0 9762.18 10174.42 834.94 o 3 2 0 2352.70 2478.29 163.69 o 4 2 0 8168.45 7664.15 10.60 o 5 2 0 6557.48 6689.10 91.85 o 6 2 0 11320.06 11291.09 155.45 o 7 2 0 2.79 52.15 16.49 o 8 2 0 1561.20 2028.98 161.52 o 9 2 0 956.22 1097.41 126.01 o 10 2 0 156.78 390.78 142.04 o 1 3 0 4781.53 4862.81 69.48 o 2 3 0 310.43 305.41 118.94 o 3 3 0 116.85 147.41 63.59 o 4 3 0 181.45 171.29 22.37 o 5 3 0 1574.77 1575.02 95.39 o 6 3 0 420.58 564.06 156.44 o 7 3 0 91.29 215.07 84.47 o 8 3 0 2.59 37.89 79.59 o 9 3 0 108.77 90.35 25.91 o 10 3 0 78.35 157.97 56.53 o 0 4 0 42016.95 40723.68 231.99 o 1 4 0 2673.44 2669.46 25.77 o 2 4 0 12934.72 13691.04 115.69 o 3 4 0 19546.94 18233.39 158.98 o 4 4 0 14748.77 13751.07 142.49 o 5 4 0 4968.36 4893.57 70.65 o 6 4 0 7873.63 8297.38 628.85 o 7 4 0 150.58 287.05 61.20 o 8 4 0 2052.18 2156.37 106.24 o 9 4 0 596.36 936.35 174.29 o 10 4 0 62.11 71.37 88.95 o 1 5 0 2176.12 2060.98 18.09 o 2 5 0 1620.48 2062.43 114.24 o 3 5 0 278.14 398.08 86.70 o 4 5 0 72.63 76.94 32.97 o 5 5 0 560.21 577.22 118.72 o 6 5 0 8.03 16.40 41.78 o 7 5 0 94.79 226.68 109.08 o 8 5 0 57.64 99.93 94.21 o 9 5 0 89.57 180.21 92.81 o 10 5 0 223.49 190.05 16.49 o 0 6 0 51279.99 48824.57 219.04 o 1 6 0 5986.02 5733.13 333.27 o 2 6 0 16001.53 15229.09 52.07 o 3 6 0 8467.04 8235.21 87.57 o 4 6 0 2340.10 2775.84 119.70 o 5 6 0 4493.13 4588.68 36.53 o 6 6 0 4203.23 4045.90 179.00 o 7 6 0 105.23 107.82 66.25 o 8 6 0 959.35 1193.99 173.11 o 9 6 0 1313.67 1308.90 70.66 o 1 7 0 241.55 329.12 88.81 o 2 7 0 92.10 149.39 41.22 o 3 7 0 208.41 348.25 108.31 o 4 7 0 37.87 57.18 150.16 o 5 7 0 451.10 849.35 229.64 o 6 7 0 3.53 8.50 38.20 o 7 7 0 62.23 61.52 24.73 o 8 7 0 1.09 0.34 3.53 o 9 7 0 77.33 191.10 119.91 o 0 8 0 10140.65 10983.83 741.90 o 1 8 0 340.72 410.21 32.20 o 2 8 0 2872.92 2938.41 138.96 o 3 8 0 7895.68 7569.38 79.30 o 4 8 0 1955.94 1927.25 99.62 o 5 8 0 2252.20 2251.95 110.35 o 6 8 0 2674.04 2996.34 121.60 o 7 8 0 64.99 98.40 73.66 o 8 8 0 1750.16 1943.27 132.45 o 9 8 0 662.50 616.81 14.08 o 1 9 0 1859.14 1770.75 264.97 o 2 9 0 75.59 47.14 124.07 o 3 9 0 169.14 191.32 71.84 o 4 9 0 212.12 201.35 70.82 o 5 9 0 1554.75 1720.67 113.05 o 6 9 0 238.92 286.08 49.49 o 7 9 0 535.13 579.77 49.64 o 8 9 0 13.09 13.31 89.15 o 9 9 0 193.83 198.48 110.11 o 0 10 0 4426.03 4736.29 119.88 o 1 10 0 2589.92 2574.81 72.04 o 2 10 0 827.49 796.68 52.99 o 3 10 0 7986.30 7769.82 127.18 o 4 10 0 1498.84 1843.50 175.47 o 5 10 0 861.80 923.04 69.38 o 6 10 0 1983.48 1915.57 294.41 o 7 10 0 354.45 426.02 33.88 o 8 10 0 975.51 851.25 42.39 o 1 11 0 1075.26 1108.85 62.38 o 2 11 0 48.60 56.73 22.69 o 3 11 0 262.63 407.80 96.57 o 4 11 0 540.11 649.76 97.70 o 5 11 0 1565.14 1458.86 208.44 o 6 11 0 81.13 124.11 47.44 o 7 11 0 0.82 2.36 2.35 o 8 11 0 51.04 42.89 76.99 o 0 12 0 6490.18 6177.99 53.57 o 1 12 0 2439.74 2418.64 71.84 o 2 12 0 150.50 141.87 93.03 o 3 12 0 7167.26 6851.94 103.21 o 4 12 0 865.92 935.98 72.93 o 5 12 0 1670.33 1643.70 140.34 o 6 12 0 1844.43 1664.23 110.70 o 7 12 0 257.99 398.94 99.07 o 8 12 0 481.09 602.97 123.76 o 1 13 0 485.73 506.24 51.55 o 2 13 0 0.50 25.99 43.93 o 3 13 0 54.28 52.02 34.15 o 4 13 0 220.47 185.74 44.75 o 5 13 0 323.31 331.32 112.96 o 6 13 0 25.38 47.36 59.41 o 7 13 0 94.57 103.36 70.17 o 0 14 0 881.27 906.11 39.79 o 1 14 0 1687.74 2082.31 80.14 o 2 14 0 201.89 197.85 7.07 o 3 14 0 2015.70 2337.19 131.89 o 4 14 0 155.97 251.79 54.09 o 5 14 0 118.88 218.94 98.83 o 6 14 0 515.14 625.06 64.87 o 7 14 0 278.29 282.14 57.08 o 1 15 0 590.20 499.11 43.55 o 2 15 0 98.63 159.94 60.55 o 3 15 0 76.95 120.51 113.74 o 4 15 0 13.96 20.54 9.40 o 5 15 0 679.79 559.80 9.42 o 6 15 0 14.17 21.98 10.53 o 0 16 0 315.68 443.98 72.77 o 1 16 0 292.26 282.46 59.56 o 2 16 0 562.19 656.83 94.45 o 3 16 0 2835.62 3020.05 130.03 o 4 16 0 56.92 121.26 81.20 o 5 16 0 336.26 337.05 32.16 o 6 16 0 484.14 544.41 138.60 o 1 17 0 89.03 86.93 146.44 o 2 17 0 45.03 74.26 39.48 o 3 17 0 24.50 32.53 155.18 o 4 17 0 101.52 89.70 79.97 o 5 17 0 121.73 108.70 26.46 o 0 18 0 619.25 659.97 59.39 o 1 18 0 475.76 419.51 51.82 o 2 18 0 210.63 324.57 73.32 o 3 18 0 1057.93 1098.91 83.61 o 4 18 0 0.71 7.03 48.24 o 1 19 0 114.23 106.49 85.18 o 2 19 0 139.47 119.03 101.28 o 3 19 0 0.10 3.95 22.37 o 0 20 0 82.26 85.82 21.08 o 1 20 0 246.18 256.81 16.49 o -10 1 1 1009.49 877.61 7.84 o -9 1 1 1166.74 1203.27 167.22 o -8 1 1 474.71 949.03 224.93 o -7 1 1 2348.77 2196.18 83.31 o -6 1 1 11300.59 10408.03 62.41 o -5 1 1 494.35 528.05 78.65 o -4 1 1 1617.43 1875.42 135.43 o -3 1 1 40256.32 37892.52 196.66 o -2 1 1 55.40 91.55 39.98 o -1 1 1 37284.73 36728.56 126.42 o 0 1 1 32647.43 31939.90 142.04 o 1 1 1 2195.69 2701.21 118.82 o 2 1 1 153.89 223.52 22.95 o 3 1 1 15210.93 14923.32 237.88 o 4 1 1 429.21 523.67 130.78 o 5 1 1 23988.87 22289.59 972.72 o 6 1 1 2435.95 2300.66 168.40 o 7 1 1 1649.71 1845.67 166.05 o 8 1 1 1304.46 1259.15 127.18 o 9 1 1 1426.65 1295.97 33.25 o 10 1 1 560.37 609.51 12.95 o -10 2 1 2.49 12.10 78.60 o -9 2 1 190.96 235.99 130.72 o -8 2 1 274.88 295.98 27.14 o -7 2 1 344.90 381.61 43.29 o -6 2 1 654.65 693.67 124.11 o -5 2 1 1698.88 2125.19 90.66 o -4 2 1 1136.55 1301.46 76.36 o -3 2 1 102.23 157.64 101.65 o -2 2 1 8772.48 9052.08 131.89 o -1 2 1 930.16 1103.01 129.34 o 0 2 1 425.79 469.12 71.51 o 1 2 1 1918.72 1879.62 116.58 o 2 2 1 2771.01 2842.33 92.69 o 3 2 1 4560.32 4343.84 93.30 o 4 2 1 109.12 258.97 86.69 o 5 2 1 56.14 89.81 61.98 o 6 2 1 0.93 2.54 2.36 o 7 2 1 1560.04 1761.33 100.10 o 8 2 1 76.01 81.24 47.44 o 9 2 1 28.48 26.95 76.94 o 10 2 1 16.26 17.01 21.98 o -10 3 1 415.26 521.13 274.39 o -9 3 1 1514.10 1414.31 43.55 o -8 3 1 84.73 172.47 129.28 o -7 3 1 2709.80 2953.65 113.05 o -6 3 1 5569.39 6294.79 752.50 o -5 3 1 192.28 318.05 42.39 o -4 3 1 280.18 374.08 68.69 o -3 3 1 8375.11 7885.43 375.66 o -2 3 1 8886.02 8551.26 96.57 o -1 3 1 3280.14 3513.52 81.36 o 0 3 1 27154.19 27178.24 111.91 o 1 3 1 3424.15 3789.93 157.80 o 2 3 1 8746.56 9995.20 963.30 o 3 3 1 10894.90 11251.12 310.89 o 4 3 1 249.34 426.06 122.29 o 5 3 1 15149.09 14049.88 493.43 o 6 3 1 384.04 462.74 83.99 o 7 3 1 498.26 668.73 226.10 o 8 3 1 522.89 635.22 59.92 o 9 3 1 1306.42 1513.01 90.68 o 10 3 1 391.67 753.02 134.25 o -10 4 1 66.38 105.72 71.74 o -9 4 1 29.25 30.62 16.65 o -8 4 1 32.89 53.60 39.33 o -7 4 1 495.14 663.83 147.49 o -6 4 1 14.40 120.12 71.09 o -5 4 1 1402.71 1348.82 30.62 o -4 4 1 313.75 347.53 44.24 o -3 4 1 402.75 516.98 144.89 o -2 4 1 1003.96 1035.72 60.79 o -1 4 1 3368.47 3671.68 95.82 o 0 4 1 727.47 847.13 93.17 o 1 4 1 170.83 351.55 72.45 o 2 4 1 0.32 2.36 24.82 o 3 4 1 60.60 197.18 101.28 o 4 4 1 202.98 259.23 28.09 o 5 4 1 208.96 242.86 76.55 o 6 4 1 219.91 234.06 75.38 o 7 4 1 62.81 86.85 32.64 o 8 4 1 439.70 409.13 49.46 o 9 4 1 69.12 60.82 77.72 o -10 5 1 886.35 1002.08 146.03 o -9 5 1 1276.29 1333.21 102.45 o -8 5 1 1266.35 1553.25 166.05 o -7 5 1 1725.13 1962.42 114.45 o -6 5 1 7722.04 6977.59 213.15 o -5 5 1 218.92 391.21 96.62 o -4 5 1 16382.17 16573.36 157.80 o -3 5 1 15713.36 14765.41 545.24 o -2 5 1 3155.00 3058.39 30.60 o -1 5 1 18055.17 18470.41 547.60 o 0 5 1 8284.72 7910.50 232.79 o 1 5 1 242.40 292.56 62.07 o 2 5 1 26843.13 25914.99 128.36 o 3 5 1 9034.15 9754.45 487.54 o 4 5 1 3.19 8.91 20.96 o 5 5 1 9331.17 9839.26 653.58 o 6 5 1 719.07 757.66 65.90 o 7 5 1 647.98 833.27 268.50 o 8 5 1 2767.42 2515.88 60.06 o 9 5 1 1456.60 1633.47 97.74 o -9 6 1 80.06 87.46 85.41 o -8 6 1 231.80 234.69 102.39 o -7 6 1 505.87 678.16 147.97 o -6 6 1 38.30 182.45 140.34 o -5 6 1 464.53 410.74 70.66 o -4 6 1 116.96 160.00 36.33 o -3 6 1 232.30 483.99 158.19 o -2 6 1 104.42 168.10 24.73 o -1 6 1 606.20 653.01 100.83 o 0 6 1 29.49 52.68 76.99 o 1 6 1 2.32 14.63 31.60 o 2 6 1 80.59 115.24 89.50 o 3 6 1 44.96 77.36 68.87 o 4 6 1 59.46 200.51 112.66 o 5 6 1 220.40 241.73 49.46 o 6 6 1 103.16 90.53 54.84 o 7 6 1 14.02 20.16 149.86 o 8 6 1 92.10 220.22 120.18 o 9 6 1 36.72 140.82 93.03 o -9 7 1 803.12 923.18 88.68 o -8 7 1 853.05 1103.95 187.24 o -7 7 1 1681.96 1519.15 55.35 o -6 7 1 5092.16 4621.46 168.40 o -5 7 1 5.49 13.34 68.38 o -4 7 1 5838.65 5726.57 81.02 o -3 7 1 12526.64 13021.41 366.24 o -2 7 1 1940.76 1906.77 43.97 o -1 7 1 16902.16 17492.44 269.68 o 0 7 1 4444.63 4438.03 90.87 o 1 7 1 1303.71 1450.98 54.17 o 2 7 1 7251.58 7326.41 117.76 o 3 7 1 6364.22 6206.09 154.04 o 4 7 1 352.89 563.62 126.35 o 5 7 1 7219.09 6668.96 74.06 o 6 7 1 666.43 729.59 56.53 o 7 7 1 465.88 505.67 43.29 o 8 7 1 2523.64 2225.80 118.94 o 9 7 1 726.15 659.49 11.78 o -9 8 1 20.77 37.21 45.70 o -8 8 1 0.59 4.71 37.92 o -7 8 1 525.42 488.00 66.36 o -6 8 1 191.68 229.55 53.84 o -5 8 1 1405.48 1505.96 77.72 o -4 8 1 125.81 162.90 29.44 o -3 8 1 42.20 112.29 68.81 o -2 8 1 2.86 23.20 35.89 o -1 8 1 647.73 664.07 32.44 o 0 8 1 1465.73 1489.92 57.86 o 1 8 1 143.61 178.02 16.49 o 2 8 1 14.29 59.30 56.86 o 3 8 1 344.64 481.09 57.47 o 4 8 1 1220.06 1386.06 108.34 o 5 8 1 128.50 155.17 54.03 o 6 8 1 15.74 91.69 117.37 o 7 8 1 74.15 101.28 89.15 o 8 8 1 107.30 111.64 10.60 o 9 8 1 53.33 143.01 88.44 o -9 9 1 983.60 853.32 28.89 o -8 9 1 73.73 98.66 80.92 o -7 9 1 1274.09 1213.16 256.72 o -6 9 1 2960.15 2915.08 247.30 o -5 9 1 17.24 26.49 11.71 o -4 9 1 1603.44 1598.21 158.98 o -3 9 1 5246.03 4758.75 157.80 o -2 9 1 252.26 262.68 40.04 o -1 9 1 3754.78 4060.39 117.34 o 0 9 1 10996.50 11110.69 384.38 o 1 9 1 41.67 67.82 24.73 o 2 9 1 6447.67 6325.48 184.89 o 3 9 1 3080.39 2927.44 60.90 o 4 9 1 780.09 721.25 40.81 o 5 9 1 3927.36 3626.42 254.37 o 6 9 1 435.32 448.02 20.02 o 7 9 1 50.82 61.99 115.43 o 8 9 1 2006.55 1973.80 56.53 o 9 9 1 255.00 219.58 18.68 o -9 10 1 63.34 131.77 38.86 o -8 10 1 10.28 16.45 2.36 o -7 10 1 395.40 364.85 32.43 o -6 10 1 34.76 72.82 80.79 o -5 10 1 1443.98 1589.89 102.45 o -4 10 1 714.71 741.84 48.23 o -3 10 1 0.10 0.00 2.35 o -2 10 1 869.84 853.95 62.30 o -1 10 1 799.04 753.70 87.70 o 0 10 1 292.14 276.25 40.92 o 1 10 1 126.69 185.14 29.88 o 2 10 1 72.26 64.06 20.56 o 3 10 1 219.80 427.42 148.24 o 4 10 1 669.61 777.12 131.44 o 5 10 1 23.37 108.28 54.80 o 6 10 1 20.45 58.07 56.64 o 7 10 1 49.63 50.79 33.25 o 8 10 1 271.79 335.45 148.49 o -8 11 1 60.90 64.06 113.72 o -7 11 1 1081.79 1174.58 118.94 o -6 11 1 3925.40 3929.64 71.32 o -5 11 1 332.25 407.27 58.88 o -4 11 1 3519.65 3306.54 155.45 o -3 11 1 7640.50 7020.49 87.14 o -2 11 1 281.85 474.46 103.93 o -1 11 1 5747.73 5593.02 75.14 o 0 11 1 5931.21 5504.36 48.26 o 1 11 1 0.95 4.46 9.41 o 2 11 1 5197.42 5031.28 80.77 o 3 11 1 2951.46 2877.59 221.39 o 4 11 1 858.10 839.24 76.55 o 5 11 1 2551.37 2868.15 98.92 o 6 11 1 1277.64 1415.51 49.11 o 7 11 1 98.06 223.25 106.67 o 8 11 1 1492.56 1374.50 80.08 o -8 12 1 5.82 15.41 18.07 o -7 12 1 87.91 139.58 41.86 o -6 12 1 14.68 27.94 91.49 o -5 12 1 659.14 587.30 45.93 o -4 12 1 20.95 65.46 43.62 o -3 12 1 5.82 53.45 92.16 o -2 12 1 167.80 248.17 97.74 o -1 12 1 238.27 201.97 45.93 o 0 12 1 406.54 446.69 92.05 o 1 12 1 6.48 26.61 11.72 o 2 12 1 56.92 72.65 66.09 o 3 12 1 25.78 56.53 69.89 o 4 12 1 158.78 170.81 152.78 o 5 12 1 6.97 14.13 11.66 o 6 12 1 71.03 209.18 106.75 o 7 12 1 2.15 6.25 16.35 o 8 12 1 34.07 94.54 51.81 o -8 13 1 27.18 24.78 63.97 o -7 13 1 399.58 561.89 94.88 o -6 13 1 2011.17 2055.98 262.61 o -5 13 1 429.21 569.79 105.42 o -4 13 1 2328.72 2296.00 288.52 o -3 13 1 2867.54 2905.81 101.28 o -2 13 1 798.98 745.54 38.84 o -1 13 1 3094.49 3220.85 202.55 o 0 13 1 2112.57 2267.74 151.08 o 1 13 1 115.33 168.79 55.35 o 2 13 1 2545.91 2362.85 35.33 o 3 13 1 692.08 642.03 134.25 o 4 13 1 779.19 778.08 76.81 o 5 13 1 869.01 799.10 36.68 o 6 13 1 777.79 723.49 77.72 o 7 13 1 214.16 194.61 23.39 o -7 14 1 8.69 11.71 90.94 o -6 14 1 188.13 299.71 116.60 o -5 14 1 591.64 645.76 85.23 o -4 14 1 205.06 209.79 65.95 o -3 14 1 190.65 215.85 86.84 o -2 14 1 30.79 34.29 30.12 o -1 14 1 387.80 358.55 35.33 o 0 14 1 487.97 510.94 39.38 o 1 14 1 108.82 107.54 13.67 o 2 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