#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/55/2225560.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_2225560_Fobs loop_ _publ_author_name 'Tiekink, Edward R. T.' 'Wardell, James L.' _publ_section_title ; Bis(\m-diphenylarsine-\k^2^As:As)bis[tetracarbonyltungsten(0)] ; _journal_coeditor_code HB5346 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m364 _journal_volume 66 _journal_year 2010 _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 102.835 _cell_angle_gamma 90.000 _cell_length_a 9.7052 _cell_length_b 20.1288 _cell_length_c 16.6450 _exptl_crystal_F_000 1960.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file hb5346Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2008src0026 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 579.45 _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 182925.75 192343.92 4884.67 o 3 0 0 4296.23 4960.33 808.41 o 4 0 0 36299.79 40476.50 2362.56 o 5 0 0 172768.20 180958.00 8474.36 o 6 0 0 36976.30 35871.75 1561.74 o 7 0 0 126032.57 128325.84 5648.13 o 8 0 0 485.37 1232.94 446.41 o 9 0 0 2108.80 -21.26 701.50 o 10 0 0 229.28 -722.76 722.76 o 11 0 0 15920.00 14433.85 1147.91 o 2 1 0 12443.23 13129.60 376.62 o 3 1 0 2806.83 2907.49 165.85 o 4 1 0 19175.04 18676.29 527.12 o 5 1 0 55101.77 59737.84 1162.03 o 6 1 0 147905.80 144210.11 4028.04 o 7 1 0 6181.23 6377.59 539.91 o 8 1 0 39610.93 38579.09 2462.22 o 9 1 0 121.38 -461.02 1147.91 o 10 1 0 4490.60 3868.87 525.64 o 11 1 0 1943.06 1482.77 638.70 o 1 2 0 16150.23 16468.81 422.73 o 2 2 0 7926.23 9350.43 404.18 o 3 2 0 108.05 300.56 363.80 o 4 2 0 5203.58 6557.83 492.76 o 5 2 0 57840.84 56329.22 1128.00 o 6 2 0 7849.87 8905.62 526.39 o 7 2 0 79821.55 76492.05 2257.83 o 8 2 0 1456.39 749.70 353.44 o 9 2 0 1840.30 2287.71 637.73 o 10 2 0 47.86 276.35 432.45 o 11 2 0 3555.42 6180.76 1636.83 o 1 3 0 69258.83 80821.59 2264.80 o 2 3 0 1740.11 2000.17 176.39 o 3 3 0 2501.95 3445.42 506.12 o 4 3 0 4672.58 5028.17 291.33 o 5 3 0 452.07 1137.77 188.91 o 6 3 0 34343.33 35419.01 1363.97 o 7 3 0 1018.41 1616.45 275.28 o 8 3 0 15000.87 14582.46 748.65 o 9 3 0 278.36 293.18 359.81 o 10 3 0 108.53 -914.07 744.01 o 11 3 0 6447.22 7579.29 2019.46 o 0 4 0 9048.23 10821.04 297.62 o 1 4 0 5138.56 5479.40 348.42 o 2 4 0 144.60 -105.18 276.53 o 3 4 0 10590.36 10568.46 272.54 o 4 4 0 9232.73 9276.23 413.94 o 5 4 0 12515.66 13209.27 718.31 o 6 4 0 9258.05 7800.94 380.27 o 7 4 0 9589.60 9742.70 579.33 o 8 4 0 353.36 839.30 377.28 o 9 4 0 2026.88 2774.38 558.34 o 11 4 0 1752.80 2058.87 1753.74 o 1 5 0 4484.15 5534.46 321.09 o 2 5 0 40291.77 42378.69 1149.99 o 3 5 0 10021.43 10346.35 502.16 o 4 5 0 29087.10 27883.76 807.97 o 5 5 0 13358.74 13896.37 743.51 o 6 5 0 10055.04 10469.59 532.32 o 7 5 0 248.67 334.18 289.07 o 8 5 0 340.33 203.07 662.74 o 9 5 0 12970.13 8978.31 806.95 o 10 5 0 1279.89 976.61 621.00 o 11 5 0 12833.47 13456.01 1339.22 o 0 6 0 25520.70 36183.68 991.73 o 1 6 0 47524.52 49537.71 1008.70 o 2 6 0 6912.87 7669.80 381.64 o 3 6 0 119466.36 115916.05 4440.81 o 4 6 0 51430.61 50508.27 1192.68 o 5 6 0 10545.76 10389.61 277.24 o 6 6 0 2067.79 1350.89 262.27 o 7 6 0 4285.80 4112.99 301.04 o 8 6 0 21404.88 22998.13 1656.86 o 9 6 0 1189.50 -365.47 772.57 o 10 6 0 24656.59 27667.56 1254.90 o 1 7 0 967.95 1402.54 271.48 o 2 7 0 148405.92 150797.28 2047.74 o 3 7 0 32214.51 32311.42 1105.87 o 4 7 0 61370.72 63601.16 1524.99 o 5 7 0 24850.43 24377.96 737.40 o 6 7 0 641.76 557.47 254.43 o 7 7 0 7548.10 6292.92 1027.31 o 8 7 0 10713.90 9468.49 758.00 o 9 7 0 29012.62 24076.24 1445.51 o 10 7 0 91.54 1798.70 813.62 o 0 8 0 8529.16 9971.80 568.21 o 1 8 0 36398.68 38415.59 545.83 o 2 8 0 10136.68 14313.92 889.79 o 3 8 0 118686.48 117466.38 2269.00 o 4 8 0 31577.46 32465.94 821.63 o 5 8 0 610.48 1095.79 508.61 o 6 8 0 1493.37 1955.46 527.67 o 7 8 0 8096.98 8492.40 846.84 o 8 8 0 17076.34 19768.33 1187.42 o 9 8 0 100.76 2000.05 658.98 o 10 8 0 12808.35 13132.91 886.47 o 1 9 0 5586.64 5587.08 272.46 o 2 9 0 31307.27 31061.05 525.26 o 3 9 0 25444.93 25212.02 1101.28 o 4 9 0 5182.90 5103.17 279.33 o 5 9 0 29125.79 30703.14 743.10 o 6 9 0 4606.14 4735.18 290.70 o 7 9 0 548.47 -115.85 593.49 o 8 9 0 3340.71 3679.13 253.81 o 9 9 0 7462.22 8923.07 787.84 o 10 9 0 2331.34 2942.72 1014.95 o 0 10 0 13935.37 15624.27 862.18 o 1 10 0 2660.31 3214.95 260.74 o 2 10 0 217.68 607.78 254.46 o 3 10 0 712.54 1424.15 352.51 o 4 10 0 8408.76 8918.39 457.24 o 5 10 0 1681.12 1580.32 322.76 o 6 10 0 847.44 416.62 462.66 o 7 10 0 785.19 1647.22 364.20 o 8 10 0 598.15 1615.24 463.21 o 9 10 0 3166.70 3693.92 404.69 o 10 10 0 8.36 -286.51 325.27 o 1 11 0 9346.60 10818.38 429.16 o 2 11 0 3721.08 4578.15 486.00 o 3 11 0 109.51 381.11 342.44 o 4 11 0 11668.21 12095.97 296.54 o 5 11 0 332.51 333.54 559.73 o 6 11 0 1334.93 1338.63 295.54 o 7 11 0 692.16 69.47 771.78 o 8 11 0 3273.06 2394.33 509.40 o 9 11 0 896.41 815.85 794.76 o 0 12 0 699.48 734.27 177.89 o 1 12 0 6210.24 6380.57 231.13 o 2 12 0 706.22 961.40 166.81 o 3 12 0 17808.52 16045.70 367.84 o 4 12 0 1285.41 967.02 197.83 o 5 12 0 8809.31 8562.32 652.13 o 6 12 0 2993.08 3088.98 375.51 o 7 12 0 609.20 1251.16 542.07 o 8 12 0 1410.89 1331.91 2000.89 o 9 12 0 5836.24 6246.02 932.75 o 1 13 0 2691.35 3573.05 308.16 o 2 13 0 15530.98 16298.81 490.04 o 3 13 0 2153.13 2415.38 348.75 o 4 13 0 10074.41 10046.48 512.78 o 5 13 0 22865.28 22416.29 752.65 o 6 13 0 1892.64 2508.58 662.36 o 7 13 0 1252.60 2490.67 346.35 o 8 13 0 3003.68 4079.91 826.36 o 9 13 0 7979.44 10244.44 1696.75 o 0 14 0 2463.84 2971.12 577.71 o 1 14 0 3884.11 4129.15 422.34 o 2 14 0 1.83 272.56 380.46 o 3 14 0 9949.48 9855.58 476.30 o 4 14 0 9335.19 10078.75 518.69 o 5 14 0 99.54 682.38 275.69 o 6 14 0 10174.37 10161.26 622.83 o 7 14 0 875.92 1063.85 1073.89 o 8 14 0 670.82 486.93 317.17 o 9 14 0 181.19 1255.48 920.48 o 1 15 0 83.41 445.62 299.05 o 2 15 0 5318.61 5272.16 395.00 o 3 15 0 2796.88 3124.95 433.92 o 4 15 0 9233.96 9152.71 367.61 o 5 15 0 18645.72 19617.69 1056.80 o 6 15 0 74.15 335.12 705.29 o 7 15 0 2213.71 4502.03 882.34 o 8 15 0 49.43 1503.81 1239.58 o 0 16 0 4648.35 5474.37 320.68 o 1 16 0 504.13 854.98 316.89 o 2 16 0 651.70 -102.93 146.49 o 3 16 0 5770.67 5510.77 340.63 o 4 16 0 3907.85 4217.41 385.33 o 5 16 0 9840.56 9142.04 822.29 o 6 16 0 610.09 445.01 773.20 o 7 16 0 1543.14 1914.94 442.65 o 8 16 0 663.97 1136.34 690.36 o 1 17 0 17563.49 18675.55 720.28 o 2 17 0 3637.94 3851.22 372.34 o 3 17 0 787.19 1242.78 295.20 o 4 17 0 15138.92 16288.03 807.19 o 5 17 0 538.70 1267.01 444.90 o 6 17 0 8355.84 8714.77 681.23 o 7 17 0 2297.19 2891.70 644.53 o 0 18 0 39021.93 39116.90 1783.54 o 1 18 0 531.86 826.89 175.92 o 2 18 0 14181.45 14949.50 784.89 o 3 18 0 9020.06 7319.22 333.06 o 4 18 0 1437.71 2153.81 566.13 o 5 18 0 9621.90 8824.10 671.82 o 6 18 0 7626.96 8459.73 1871.64 o 7 18 0 10552.37 10981.82 1045.61 o 1 19 0 51547.60 53161.83 1477.61 o 2 19 0 890.15 1153.30 163.20 o 3 19 0 2940.80 2642.26 274.36 o 4 19 0 4780.20 4226.27 246.60 o 5 19 0 7555.21 7862.32 752.26 o 6 19 0 22480.24 21575.16 816.42 o 0 20 0 39027.63 41596.66 1652.55 o 1 20 0 274.82 259.27 260.11 o 2 20 0 16220.05 17127.27 772.23 o 3 20 0 378.40 1732.99 510.18 o 4 20 0 55.09 -210.14 1434.88 o 5 20 0 7341.92 6197.11 779.25 o 6 20 0 5941.17 6397.30 1638.70 o 1 21 0 18063.16 18702.67 854.95 o 2 21 0 992.38 235.72 362.05 o 3 21 0 639.31 1021.42 1009.73 o 4 21 0 110.92 -716.21 680.24 o 5 21 0 3143.84 3224.15 693.09 o 1 22 0 74.56 688.97 447.99 o 2 22 0 7051.21 6900.49 631.36 o 3 22 0 118.77 -261.16 276.32 o 4 22 0 590.13 -318.86 914.07 o 1 23 0 4604.04 5169.20 692.30 o 2 23 0 1472.79 -97.45 999.10 o 3 23 0 4814.60 5356.89 722.76 o -11 1 1 47.88 -1195.33 1084.13 o -10 1 1 3026.22 5223.95 653.73 o 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4824.09 511.77 o 4 2 1 504.25 745.08 220.08 o 5 2 1 1986.24 1212.51 227.02 o 6 2 1 40942.71 37092.73 629.34 o 7 2 1 17963.85 14047.38 1159.80 o 8 2 1 779.60 673.86 369.27 o 9 2 1 4737.32 3999.24 661.38 o 10 2 1 3930.78 4980.83 550.70 o 11 2 1 6536.87 7004.91 2030.09 o -11 3 1 932.56 1023.21 1030.99 o -10 3 1 3681.54 5088.90 967.22 o -9 3 1 442.77 214.11 200.12 o -8 3 1 6794.15 7126.45 537.90 o -7 3 1 6234.28 6099.35 699.53 o -6 3 1 29055.77 27131.54 1016.03 o -5 3 1 28607.59 24650.39 594.51 o -4 3 1 9940.82 8842.03 352.03 o -3 3 1 553.13 1032.77 251.93 o -2 3 1 17956.50 18454.18 523.33 o -1 3 1 48672.16 51673.65 807.74 o 0 3 1 10544.73 12617.74 340.86 o 1 3 1 144724.55 150100.84 4822.59 o 2 3 1 2218.55 2947.66 316.96 o 3 3 1 6208.13 5406.69 406.61 o 4 3 1 3039.63 2622.26 254.59 o 5 3 1 14732.00 13840.50 511.20 o 6 3 1 15548.38 17815.99 806.48 o 7 3 1 27472.74 26162.62 1167.73 o 8 3 1 30275.69 23015.47 1635.38 o 9 3 1 352.52 6696.12 914.07 o 10 3 1 823.40 3064.98 446.41 o 11 3 1 4486.21 3430.84 807.79 o -11 4 1 4750.65 5494.14 1286.08 o -10 4 1 1557.84 2317.82 563.52 o -9 4 1 1122.90 1066.84 936.96 o -8 4 1 100.08 290.66 231.93 o -7 4 1 29595.37 29511.71 1009.29 o -6 4 1 11697.69 11813.02 563.43 o -5 4 1 2008.91 2107.62 341.42 o -4 4 1 27993.90 28955.53 504.91 o -3 4 1 1840.02 1845.60 198.94 o -2 4 1 13630.75 14409.53 620.94 o -1 4 1 7596.31 7733.63 228.84 o 0 4 1 38737.91 43601.75 1132.77 o 1 4 1 5349.52 5058.56 263.06 o 2 4 1 26661.90 24596.55 756.61 o 3 4 1 3669.58 3446.74 570.85 o 4 4 1 809.21 1805.22 374.31 o 5 4 1 1478.36 1999.78 258.26 o 6 4 1 19958.97 17803.17 461.81 o 7 4 1 30030.60 31726.93 1742.89 o 8 4 1 4227.55 2401.99 313.86 o 9 4 1 22731.58 20374.21 2550.90 o 10 4 1 2622.87 2019.10 2157.64 o -11 5 1 388.50 212.58 658.98 o -10 5 1 695.76 -212.44 691.47 o -9 5 1 159.65 682.36 510.39 o -8 5 1 15898.44 17946.60 1073.89 o -7 5 1 1813.20 1377.75 199.06 o -6 5 1 10820.00 10545.44 677.92 o -5 5 1 7185.11 9243.10 549.22 o -4 5 1 875.52 1118.62 219.70 o -3 5 1 1288.32 1476.04 208.82 o -2 5 1 2882.59 3151.43 275.54 o -1 5 1 7278.47 9994.94 416.33 o 0 5 1 1087.99 1337.28 104.16 o 1 5 1 63387.58 67397.10 1586.85 o 2 5 1 7601.99 7643.40 510.19 o 3 5 1 5990.62 5442.78 285.35 o 4 5 1 16394.05 16163.32 655.93 o 5 5 1 1564.34 1728.44 237.18 o 6 5 1 6095.85 6109.22 635.24 o 7 5 1 1047.44 1452.32 403.91 o 8 5 1 37595.43 44016.07 1574.02 o 9 5 1 1080.61 721.38 904.74 o 10 5 1 10757.90 11662.66 818.41 o -11 6 1 159.14 2594.67 669.61 o -10 6 1 2292.84 2656.70 1286.08 o -9 6 1 6755.99 6496.41 740.60 o -8 6 1 6787.42 6682.14 922.58 o -7 6 1 10615.79 9712.44 466.16 o -6 6 1 3376.99 3876.51 363.28 o -5 6 1 5256.60 6044.85 432.55 o -4 6 1 2831.55 3300.75 343.58 o -3 6 1 23836.06 25031.92 756.95 o -2 6 1 9691.48 10698.31 434.93 o -1 6 1 4747.72 5530.96 274.53 o 0 6 1 5554.67 6865.68 253.01 o 1 6 1 30.55 452.46 204.74 o 2 6 1 30944.24 30037.27 1275.53 o 3 6 1 5539.77 5356.85 499.62 o 4 6 1 36120.92 36111.85 651.84 o 5 6 1 151.26 134.81 347.90 o 6 6 1 1276.85 1518.50 163.58 o 7 6 1 14007.88 16098.50 673.84 o 8 6 1 62.30 -275.08 502.04 o 9 6 1 22485.68 22876.98 1853.23 o 10 6 1 43.96 342.39 414.63 o -10 7 1 135.36 1046.38 810.57 o -9 7 1 11964.68 15498.57 667.30 o -8 7 1 40.97 476.52 468.55 o -7 7 1 14300.19 16406.91 932.75 o -6 7 1 32.69 531.41 282.03 o -5 7 1 2989.93 2891.51 190.38 o -4 7 1 24361.17 23212.46 627.45 o -3 7 1 6154.95 5265.79 485.74 o -2 7 1 92919.73 97760.55 2585.81 o -1 7 1 61.08 518.79 139.59 o 0 7 1 2395.31 2771.47 201.57 o 1 7 1 35059.18 36744.00 830.54 o 2 7 1 5558.53 5285.03 184.67 o 3 7 1 51420.98 50361.69 1299.43 o 4 7 1 6698.95 6009.27 457.09 o 5 7 1 29339.67 29388.00 768.06 o 6 7 1 3275.55 5295.47 342.48 o 7 7 1 626.72 594.34 466.18 o 8 7 1 7021.28 8789.96 530.20 o 9 7 1 4346.14 3407.34 983.49 o 10 7 1 4551.34 3669.32 658.31 o -10 8 1 16959.20 20260.64 1273.18 o -9 8 1 39.61 107.73 438.67 o -8 8 1 43027.34 47721.63 1539.49 o -7 8 1 1554.99 832.62 429.56 o -6 8 1 10932.62 10663.17 518.69 o -5 8 1 4837.04 4762.14 429.04 o -4 8 1 21034.63 20100.27 1040.86 o -3 8 1 170198.11 177658.83 3907.94 o -2 8 1 36716.06 39455.07 635.63 o -1 8 1 95937.55 96029.44 2333.56 o 0 8 1 424.45 688.58 190.17 o 1 8 1 11250.48 11739.84 406.90 o 2 8 1 34157.68 33708.20 854.26 o 3 8 1 96106.95 99098.84 1954.89 o 4 8 1 68858.01 67397.17 2419.39 o 5 8 1 17623.32 16775.13 500.68 o 6 8 1 9327.15 9264.88 302.98 o 7 8 1 52.85 617.81 727.57 o 8 8 1 12222.65 13889.17 683.31 o 9 8 1 1658.41 2275.18 455.80 o 10 8 1 11806.64 12450.86 687.62 o -10 9 1 158.63 800.23 354.71 o -9 9 1 50346.57 47483.11 4092.07 o -8 9 1 1192.38 860.26 317.73 o -7 9 1 50533.48 55797.32 1406.63 o -6 9 1 24.81 230.45 358.01 o -5 9 1 3562.54 3714.23 493.48 o -4 9 1 84861.51 75790.92 2716.78 o -3 9 1 49602.76 49533.71 934.72 o -2 9 1 303096.75 326908.50 6894.68 o -1 9 1 3396.83 3506.51 205.54 o 0 9 1 13353.12 13698.90 456.33 o 1 9 1 2982.52 3576.34 530.91 o 2 9 1 67075.47 63921.75 1401.21 o 3 9 1 49441.09 45433.36 1408.63 o 4 9 1 76907.95 76242.06 1471.52 o 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