#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/22/2202284.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_2202284_Fobs loop_ _publ_author_name 'Smith, Michele L.' 'Almond, Philip M.' 'Albrecht-Schmitt, Thomas E.' 'Hill, William E.' _publ_section_title ; Bis[\m-1,3-bis(diphenylphosphino)propane]disilver(I) bis(tetrafluoroborate) ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1013 _journal_page_last m1014 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 90.908 _cell_angle_beta 114.075 _cell_angle_gamma 112.741 _cell_length_a 10.6882 _cell_length_b 11.3911 _cell_length_c 12.9037 _exptl_crystal_F_000 612.00 _reflns_d_resolution_high 0.7494 _[local]_cod_data_source_file ac6065Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' face in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 182.58 _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, -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 0 0 3351.75 4317.31 112.55 o 2 0 0 84.35 31.21 2.31 o 3 0 0 2154.80 2064.79 44.66 o 4 0 0 11936.35 12422.52 265.28 o 5 0 0 8074.68 8877.43 190.04 o 6 0 0 144.92 192.42 5.50 o 7 0 0 44.34 43.28 3.67 o 8 0 0 957.49 960.46 27.52 o 9 0 0 536.11 446.09 14.71 o 10 0 0 207.75 190.01 8.61 o 11 0 0 53.66 65.41 8.62 o -12 1 0 346.14 331.81 18.73 o -11 1 0 242.22 260.42 11.30 o -10 1 0 58.68 70.21 5.42 o -9 1 0 8.66 4.76 4.16 o -8 1 0 941.23 997.68 28.65 o -7 1 0 1107.40 1091.77 24.80 o -6 1 0 59.17 48.80 2.54 o -5 1 0 2085.98 2234.98 48.60 o -4 1 0 325.50 339.89 8.06 o -3 1 0 153.61 109.87 3.54 o -2 1 0 2862.14 3122.20 67.57 o -1 1 0 9026.44 9794.63 260.15 o 0 1 0 8546.85 7694.19 226.45 o 1 1 0 7687.74 8008.96 273.53 o 2 1 0 423.82 446.84 15.01 o 3 1 0 1518.04 1364.11 29.73 o 4 1 0 7723.21 7417.67 158.83 o 5 1 0 563.55 448.47 10.62 o 6 1 0 439.67 498.78 15.03 o 7 1 0 462.24 410.55 55.90 o 8 1 0 1138.76 1196.79 33.93 o 9 1 0 822.09 801.45 24.07 o 10 1 0 284.59 279.26 11.04 o 11 1 0 0.02 0.90 3.68 o -12 2 0 318.33 270.86 16.35 o -11 2 0 158.20 168.88 12.19 o -10 2 0 447.16 465.96 15.61 o -9 2 0 818.58 807.21 30.92 o -8 2 0 1530.51 1568.94 35.15 o -7 2 0 976.28 921.35 21.09 o -6 2 0 3601.44 3526.86 76.26 o -5 2 0 742.26 808.37 18.17 o -4 2 0 2488.16 2906.15 62.54 o -3 2 0 3683.89 3832.37 81.98 o -2 2 0 801.57 733.27 23.79 o -1 2 0 10407.93 9560.42 254.05 o 0 2 0 9.05 76.27 8.59 o 1 2 0 4276.46 5421.78 115.83 o 2 2 0 2505.04 3084.13 80.96 o 3 2 0 7242.63 7858.77 205.18 o 4 2 0 1153.37 1071.85 29.41 o 5 2 0 154.21 79.49 4.10 o 6 2 0 278.27 291.88 9.88 o 7 2 0 2285.41 2208.56 59.98 o 8 2 0 404.32 372.82 12.72 o 9 2 0 571.26 568.70 18.29 o 10 2 0 42.76 41.89 4.99 o -12 3 0 82.67 68.38 8.62 o -11 3 0 40.51 46.98 7.43 o -10 3 0 340.84 300.75 11.30 o -9 3 0 1922.68 1896.52 42.29 o -8 3 0 1314.19 1422.25 31.89 o -7 3 0 519.44 531.65 12.79 o -6 3 0 6.66 7.92 3.20 o -5 3 0 3679.61 3780.69 81.34 o -4 3 0 2708.34 3055.92 84.40 o -3 3 0 2429.04 2602.40 69.90 o -2 3 0 1319.31 1401.76 37.94 o -1 3 0 143.70 135.87 3.42 o 0 3 0 7145.84 8004.58 170.77 o 1 3 0 1069.85 1198.48 26.14 o 2 3 0 2837.51 2938.80 77.49 o 3 3 0 483.76 578.37 16.49 o 4 3 0 84.07 45.12 6.54 o 5 3 0 196.77 264.05 16.35 o 6 3 0 1075.87 1134.47 31.94 o 7 3 0 986.68 863.96 25.33 o 8 3 0 142.50 116.70 6.48 o 9 3 0 20.78 20.99 4.14 o 10 3 0 18.53 23.66 4.50 o -12 4 0 45.57 58.57 8.62 o -11 4 0 18.04 15.16 5.95 o -10 4 0 988.40 943.66 27.90 o -9 4 0 1500.45 1428.65 32.27 o -8 4 0 838.95 856.06 19.87 o -7 4 0 123.88 154.49 4.79 o -6 4 0 3346.49 3395.26 73.33 o -5 4 0 2903.70 2744.47 59.21 o -4 4 0 4581.44 4525.79 121.19 o -3 4 0 1398.96 1425.86 64.67 o -2 4 0 1026.18 1002.73 21.88 o -1 4 0 2820.33 2727.60 58.49 o 0 4 0 6093.66 6155.93 131.55 o 1 4 0 2804.15 2768.21 59.69 o 2 4 0 556.36 396.91 9.60 o 3 4 0 166.77 123.37 5.15 o 4 4 0 665.79 516.17 15.45 o 5 4 0 675.27 587.44 17.66 o 6 4 0 1963.06 2086.00 56.93 o 7 4 0 5.71 4.92 2.64 o 8 4 0 116.49 89.89 6.05 o 9 4 0 7.90 7.79 3.93 o -12 5 0 4.20 9.51 5.35 o -11 5 0 428.20 467.09 23.49 o -10 5 0 1453.45 1536.60 43.69 o -9 5 0 90.52 63.27 5.50 o -8 5 0 361.28 332.19 11.12 o -7 5 0 1020.50 1110.22 24.94 o -6 5 0 4760.51 5253.43 112.83 o -5 5 0 6445.28 7434.55 198.55 o -4 5 0 1245.70 1214.11 39.69 o -3 5 0 120.03 129.51 4.73 o -2 5 0 8910.89 9431.96 201.24 o -1 5 0 10887.21 11647.73 248.75 o 0 5 0 1883.31 1760.31 38.31 o 1 5 0 3324.94 3552.82 76.62 o 2 5 0 387.94 466.25 11.02 o 3 5 0 2018.46 2296.84 61.64 o 4 5 0 409.88 266.57 17.54 o 5 5 0 749.11 610.22 18.50 o 6 5 0 10.57 4.92 3.87 o 7 5 0 108.15 88.05 5.63 o 8 5 0 40.78 41.03 4.91 o 9 5 0 165.43 166.44 17.10 o -12 6 0 188.19 183.15 13.38 o -11 6 0 202.09 213.46 9.10 o -10 6 0 11.69 14.34 3.34 o -9 6 0 0.16 -2.65 2.97 o -8 6 0 34.82 30.41 3.21 o -7 6 0 2472.85 2418.55 66.22 o -6 6 0 896.67 922.17 26.38 o -5 6 0 744.26 853.15 24.28 o -4 6 0 1484.37 1667.55 45.62 o -3 6 0 1425.29 1449.03 31.64 o -2 6 0 2600.20 2463.25 53.28 o -1 6 0 1940.76 1836.28 40.07 o 0 6 0 3440.58 3607.89 77.76 o 1 6 0 3.06 0.88 1.26 o 2 6 0 1292.37 1248.73 34.45 o 3 6 0 1347.53 1465.30 40.23 o 4 6 0 1042.96 1009.23 28.78 o 5 6 0 82.83 56.11 4.40 o 6 6 0 659.66 639.28 19.86 o 7 6 0 276.13 247.13 11.30 o 8 6 0 263.40 244.68 10.62 o -12 7 0 432.22 405.70 14.56 o -11 7 0 123.27 110.34 6.48 o -10 7 0 787.83 772.00 27.35 o -9 7 0 1.94 2.74 2.50 o -8 7 0 1693.59 1598.34 44.87 o -7 7 0 1701.81 1334.08 138.85 o -6 7 0 22.42 4.24 1.99 o -5 7 0 208.30 278.64 9.24 o -4 7 0 603.83 748.39 21.54 o -3 7 0 1151.60 1369.07 30.11 o -2 7 0 115.15 129.57 3.99 o -1 7 0 1109.88 1095.91 24.46 o 0 7 0 88.01 125.14 5.12 o 1 7 0 1203.37 1193.02 26.75 o 2 7 0 1148.47 1011.88 28.57 o 3 7 0 1406.33 1438.76 39.90 o 4 7 0 948.07 956.31 27.73 o 5 7 0 232.74 239.08 11.89 o 6 7 0 615.29 595.61 40.44 o 7 7 0 390.08 343.93 13.03 o -12 8 0 80.14 75.83 11.45 o -11 8 0 264.11 263.29 31.66 o -10 8 0 348.72 376.50 13.01 o -9 8 0 454.38 457.69 19.33 o -8 8 0 619.63 701.82 21.22 o -7 8 0 45.19 38.67 3.56 o -6 8 0 81.05 97.37 4.94 o -5 8 0 501.80 489.60 14.92 o -4 8 0 3022.64 3105.18 84.09 o -3 8 0 4.10 17.42 1.83 o -2 8 0 31.86 18.39 1.85 o -1 8 0 62.96 34.45 2.39 o 0 8 0 532.63 498.17 12.05 o 1 8 0 230.54 234.81 8.61 o 2 8 0 413.52 386.97 12.71 o 3 8 0 352.15 316.34 11.25 o 4 8 0 16.69 14.13 4.46 o 5 8 0 104.21 112.67 6.51 o 6 8 0 217.26 229.85 9.98 o 7 8 0 220.29 206.53 18.88 o -12 9 0 53.24 49.98 5.24 o -11 9 0 543.99 494.53 16.78 o -10 9 0 659.19 625.69 19.94 o -9 9 0 516.44 507.92 16.59 o -8 9 0 64.61 44.14 3.98 o -7 9 0 316.88 247.45 9.13 o -6 9 0 490.70 381.40 12.50 o -5 9 0 3947.70 3175.05 218.68 o -4 9 0 254.10 171.78 31.52 o -3 9 0 519.04 557.54 16.70 o -2 9 0 1.80 -1.33 1.75 o -1 9 0 1949.93 1879.72 41.56 o 0 9 0 752.25 702.71 16.57 o 1 9 0 49.18 49.71 4.10 o 2 9 0 4.81 5.89 2.83 o 3 9 0 10.35 19.86 3.57 o 4 9 0 243.74 225.22 9.46 o 5 9 0 187.44 178.37 8.51 o 6 9 0 134.11 156.81 17.10 o -12 10 0 172.52 157.15 10.26 o -11 10 0 254.30 245.21 10.28 o -10 10 0 413.06 381.17 13.62 o -9 10 0 151.26 117.92 6.39 o -8 10 0 554.42 584.76 18.39 o -7 10 0 633.06 641.70 19.75 o -6 10 0 1594.41 1660.74 52.33 o -5 10 0 688.52 656.44 19.86 o -4 10 0 0.01 0.97 4.01 o -3 10 0 282.43 294.70 9.97 o -2 10 0 1093.03 1209.14 27.37 o -1 10 0 1538.23 1672.98 37.44 o 0 10 0 95.03 86.18 5.24 o 1 10 0 55.32 53.23 8.62 o 2 10 0 55.29 59.74 8.47 o 3 10 0 417.31 411.79 30.03 o 4 10 0 31.94 31.56 4.52 o 5 10 0 37.27 29.47 4.94 o -12 11 0 41.04 43.99 7.58 o -11 11 0 194.20 195.89 9.01 o -10 11 0 82.84 70.22 5.28 o -9 11 0 223.59 238.25 19.03 o -8 11 0 149.47 145.07 6.93 o -7 11 0 341.63 308.11 12.49 o -6 11 0 968.50 1030.68 30.05 o -5 11 0 134.47 176.20 7.35 o -4 11 0 420.35 340.77 11.54 o -3 11 0 77.09 52.34 5.65 o -2 11 0 1387.00 1410.54 39.71 o -1 11 0 301.17 309.83 11.12 o 0 11 0 11.92 7.54 3.25 o 1 11 0 104.58 108.17 6.30 o 2 11 0 450.76 447.69 15.44 o 3 11 0 175.48 169.35 8.77 o 4 11 0 0.21 -2.62 3.67 o -11 12 0 4.39 7.63 6.84 o -10 12 0 98.56 98.73 6.84 o -9 12 0 121.25 130.79 7.11 o -8 12 0 21.12 23.09 5.20 o -7 12 0 159.01 131.27 10.11 o -6 12 0 105.22 86.52 14.87 o -5 12 0 161.94 150.33 6.93 o -4 12 0 66.44 71.23 4.70 o -3 12 0 283.69 287.18 10.37 o -2 12 0 504.74 510.20 24.08 o -1 12 0 17.35 18.14 5.05 o 0 12 0 90.70 77.30 8.32 o 1 12 0 304.33 303.12 11.87 o 2 12 0 512.42 579.86 19.31 o -10 13 0 287.78 280.07 34.34 o -9 13 0 29.78 40.90 4.82 o -8 13 0 4.46 0.89 3.15 o -7 13 0 27.36 28.32 4.20 o -6 13 0 243.00 230.56 9.45 o -5 13 0 70.26 78.66 5.15 o -4 13 0 4.13 10.88 3.21 o -3 13 0 145.76 151.87 7.32 o -2 13 0 18.19 15.76 5.65 o -1 13 0 47.51 50.84 7.73 o 0 13 0 35.73 19.92 5.95 o 1 13 0 225.45 225.07 14.87 o -9 14 0 3.27 2.33 3.67 o -8 14 0 2.93 5.33 3.77 o -7 14 0 325.60 318.11 12.09 o -6 14 0 371.64 366.92 13.34 o -5 14 0 26.10 21.88 4.10 o -4 14 0 44.49 41.76 4.70 o -3 14 0 16.34 16.95 5.95 o -2 14 0 200.56 248.56 15.46 o -1 14 0 62.09 67.19 8.62 o -7 15 0 197.82 196.73 9.35 o -6 15 0 46.78 56.72 5.45 o -5 15 0 24.38 24.07 4.61 o -4 15 0 21.19 25.27 6.54 o 4 -15 1 130.53 141.82 11.60 o 5 -15 1 25.76 28.42 4.76 o 6 -15 1 53.21 53.39 5.57 o 7 -15 1 41.45 41.92 7.73 o 1 -14 1 0.04 -0.89 5.35 o 2 -14 1 6.38 5.95 5.05 o 3 -14 1 213.81 202.77 13.08 o 4 -14 1 124.47 94.60 6.30 o 5 -14 1 5.11 -2.40 3.25 o 6 -14 1 48.15 36.58 5.35 o 7 -14 1 23.78 28.88 6.54 o 8 -14 1 90.52 79.16 6.10 o 9 -14 1 0.52 -1.19 3.34 o -1 -13 1 324.24 343.40 19.03 o 0 -13 1 0.43 -0.30 5.35 o 1 -13 1 12.06 9.22 5.35 o 2 -13 1 363.01 358.57 19.03 o 3 -13 1 645.42 646.41 20.15 o 4 -13 1 61.18 57.46 4.78 o 5 -13 1 93.71 87.65 5.66 o 6 -13 1 223.67 226.64 10.70 o 7 -13 1 406.02 436.33 15.02 o 8 -13 1 68.08 70.05 7.14 o 9 -13 1 60.58 47.87 6.84 o 10 -13 1 7.40 6.09 3.25 o -3 -12 1 77.77 86.51 15.46 o -2 -12 1 136.61 138.55 11.00 o -1 -12 1 2.09 0.30 3.57 o 0 -12 1 34.32 24.38 5.95 o 1 -12 1 66.93 61.54 7.43 o 2 -12 1 420.15 389.07 12.99 o 3 -12 1 99.92 99.53 6.69 o 4 -12 1 209.45 244.06 9.34 o 5 -12 1 36.59 22.45 5.65 o 6 -12 1 912.60 816.57 24.59 o 7 -12 1 384.83 348.07 12.40 o 8 -12 1 85.91 73.93 5.24 o 9 -12 1 0.73 1.56 2.97 o 10 -12 1 180.32 165.30 7.98 o 11 -12 1 307.28 320.36 31.07 o -4 -11 1 74.46 91.39 6.73 o -3 -11 1 44.14 49.12 5.03 o -2 -11 1 7.06 10.26 3.78 o -1 -11 1 15.43 13.83 3.78 o 0 -11 1 50.20 57.68 4.63 o 1 -11 1 266.05 256.88 14.27 o 2 -11 1 48.57 24.37 4.46 o 3 -11 1 50.62 25.70 3.87 o 4 -11 1 54.82 32.91 3.72 o 5 -11 1 1067.67 1044.84 30.27 o 6 -11 1 961.81 926.22 50.54 o 7 -11 1 169.07 158.54 7.15 o 8 -11 1 161.21 124.58 6.41 o 9 -11 1 173.35 165.79 7.77 o 10 -11 1 666.79 686.81 45.34 o 11 -11 1 269.98 267.80 11.12 o -5 -10 1 116.77 112.07 7.04 o -4 -10 1 185.07 183.74 8.72 o -3 -10 1 162.49 148.93 7.67 o -2 -10 1 415.57 403.44 13.76 o -1 -10 1 294.68 285.96 10.51 o 0 -10 1 329.35 336.92 16.20 o 1 -10 1 625.20 642.16 15.48 o 2 -10 1 520.31 492.52 15.31 o 3 -10 1 51.75 52.44 6.39 o 4 -10 1 342.79 353.04 11.66 o 5 -10 1 536.48 568.38 17.45 o 6 -10 1 424.53 456.87 14.71 o 7 -10 1 94.88 93.07 5.15 o 8 -10 1 82.20 56.68 4.31 o 9 -10 1 605.88 557.85 18.07 o 10 -10 1 233.51 220.16 9.34 o 11 -10 1 140.04 139.37 7.43 o 12 -10 1 9.25 10.42 4.91 o -6 -9 1 50.14 42.39 5.05 o -5 -9 1 191.71 170.48 8.30 o -4 -9 1 7.17 5.79 4.61 o -3 -9 1 331.88 319.05 11.46 o -2 -9 1 207.23 192.68 12.64 o -1 -9 1 434.39 448.46 17.69 o 0 -9 1 684.68 638.03 15.25 o 1 -9 1 348.92 329.99 8.73 o 2 -9 1 112.42 76.58 4.25 o 3 -9 1 329.54 235.31 18.29 o 4 -9 1 527.81 438.86 18.58 o 5 -9 1 500.06 406.92 13.03 o 6 -9 1 204.71 225.33 8.40 o 7 -9 1 52.20 26.22 4.16 o 8 -9 1 496.58 452.10 14.81 o 9 -9 1 162.35 133.47 6.60 o 10 -9 1 141.77 142.68 15.61 o 11 -9 1 62.42 61.65 8.03 o 12 -9 1 187.60 200.91 17.39 o -7 -8 1 148.62 169.21 8.92 o -6 -8 1 124.47 138.00 8.62 o -5 -8 1 107.94 96.02 5.99 o -4 -8 1 669.16 670.53 20.59 o -3 -8 1 1847.32 1869.43 51.46 o -2 -8 1 612.49 612.20 32.26 o -1 -8 1 272.73 299.54 11.11 o 0 -8 1 113.92 108.86 3.92 o 1 -8 1 2737.36 2882.74 62.66 o 2 -8 1 1610.21 1660.51 36.57 o 3 -8 1 909.96 848.96 19.23 o 4 -8 1 89.09 62.75 3.78 o 5 -8 1 1978.08 1955.90 53.92 o 6 -8 1 337.29 368.22 11.98 o 7 -8 1 817.43 925.00 26.90 o 8 -8 1 259.27 298.34 18.29 o 9 -8 1 202.98 177.47 7.74 o 10 -8 1 1.02 5.31 4.76 o 11 -8 1 103.78 106.30 7.73 o 12 -8 1 393.97 414.54 15.00 o -8 -7 1 41.12 45.87 5.45 o -7 -7 1 0.38 -0.38 3.13 o -6 -7 1 139.59 162.49 7.88 o -5 -7 1 1.22 7.96 2.83 o -4 -7 1 1278.04 1375.45 38.66 o -3 -7 1 381.08 373.34 12.40 o -2 -7 1 1444.78 1348.02 37.18 o -1 -7 1 368.01 417.43 10.27 o 0 -7 1 1038.86 891.14 20.18 o 1 -7 1 2463.57 2647.99 57.45 o 2 -7 1 2028.14 2022.57 44.01 o 3 -7 1 243.72 268.97 6.76 o 4 -7 1 1053.82 874.30 24.91 o 5 -7 1 1201.11 1063.36 38.21 o 6 -7 1 2384.46 2204.00 60.54 o 7 -7 1 2300.28 2088.02 57.59 o 8 -7 1 199.50 183.56 8.18 o 9 -7 1 326.52 307.82 13.83 o 10 -7 1 353.46 348.66 12.48 o 11 -7 1 532.28 500.69 16.88 o 12 -7 1 46.25 68.98 9.22 o -8 -6 1 35.12 36.31 4.78 o -7 -6 1 61.77 61.14 6.84 o -6 -6 1 11.97 9.39 3.00 o -5 -6 1 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