#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/84/2228419.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2228419_Fobs loop_ _publ_author_name 'bin Shawkataly, Omar' 'Tariq, Abu' 'Yeap, Chin Sing' 'Fun, Hoong-Kun' _publ_section_title ; (Benzyldiphenylphosphane)chloridogold(I) ; _journal_coeditor_code IS2625 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1535 _journal_page_last m1536 _journal_volume 66 _journal_year 2010 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.012 _cell_angle_gamma 90.000 _cell_length_a 16.1403 _cell_length_b 9.0380 _cell_length_c 23.5259 _exptl_crystal_F_000 1936.00 _reflns_d_resolution_high 0.6196 _[local]_cod_data_source_file is2625Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' at21m in C2/c (100K)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 637.88 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 6 0 0 406892.91 362173.88 12416.06 o 8 0 0 226365.30 220853.20 5390.43 o 10 0 0 2193.16 2682.37 126.09 o 12 0 0 96227.05 96833.68 1503.63 o 14 0 0 118194.85 119353.45 2177.58 o 16 0 0 13664.57 14299.71 347.49 o 18 0 0 6625.81 6318.22 223.66 o 20 0 0 23792.96 22695.06 489.67 o 22 0 0 10857.64 10258.66 292.24 o 24 0 0 173.57 92.01 112.87 o 26 0 0 3554.81 3616.70 284.33 o 5 1 0 11565.77 12754.29 496.18 o 7 1 0 2132.54 2299.05 203.94 o 9 1 0 19215.16 19377.67 387.95 o 11 1 0 7595.69 7593.28 172.86 o 13 1 0 9415.54 9501.77 192.23 o 15 1 0 4400.58 4602.56 130.85 o 17 1 0 1544.80 1919.81 97.89 o 19 1 0 308.33 640.69 81.31 o 21 1 0 242.44 405.71 86.17 o 23 1 0 424.03 941.99 96.38 o 25 1 0 353.93 496.45 124.13 o 2 2 0 38690.90 36974.73 1317.59 o 6 2 0 50075.80 43656.84 1429.50 o 8 2 0 48773.37 47519.30 744.76 o 10 2 0 418.00 581.80 54.21 o 12 2 0 35046.74 33479.59 472.70 o 14 2 0 47875.09 47971.34 665.22 o 16 2 0 4629.91 4995.50 153.26 o 18 2 0 6704.51 6706.57 215.79 o 20 2 0 22143.51 21891.28 388.04 o 22 2 0 6394.66 6377.90 218.70 o 24 2 0 132.08 293.96 107.58 o 1 3 0 36749.23 38129.34 1364.67 o 5 3 0 77430.91 76311.87 1713.63 o 7 3 0 2867.21 3497.14 186.87 o 9 3 0 65659.48 64557.91 1144.62 o 11 3 0 57627.36 55049.36 1110.29 o 13 3 0 14002.05 13801.59 282.42 o 15 3 0 9664.50 9814.66 333.88 o 17 3 0 37593.51 38147.60 650.59 o 19 3 0 13518.02 13470.19 279.52 o 21 3 0 54.88 31.60 90.88 o 23 3 0 8701.05 8188.81 275.80 o 25 3 0 7048.41 6522.51 256.13 o 2 4 0 4741.16 4544.85 257.18 o 4 4 0 9456.64 9975.45 231.36 o 6 4 0 33092.32 32299.29 704.28 o 8 4 0 6442.97 5652.45 169.66 o 10 4 0 45.57 40.76 53.28 o 12 4 0 5483.02 5555.50 196.69 o 14 4 0 6320.83 6384.76 179.95 o 16 4 0 227.23 287.42 81.15 o 18 4 0 2150.78 2366.42 131.98 o 20 4 0 1761.43 1999.88 147.42 o 22 4 0 380.56 410.44 97.38 o 24 4 0 196.01 94.64 110.12 o 1 5 0 31563.70 30184.46 791.77 o 3 5 0 134737.19 123249.70 2520.80 o 5 5 0 118070.62 114700.29 1968.18 o 7 5 0 2272.47 2655.61 126.45 o 9 5 0 76069.73 71826.39 2687.69 o 11 5 0 78875.72 76822.71 1205.45 o 13 5 0 6412.11 5839.32 159.58 o 15 5 0 19961.61 19752.86 367.66 o 17 5 0 35881.17 35072.72 659.76 o 19 5 0 12057.09 12097.03 271.27 o 21 5 0 1072.50 1116.47 109.79 o 23 5 0 10257.92 10379.94 331.24 o 0 6 0 4163.31 3520.19 229.88 o 2 6 0 4911.51 4532.36 186.90 o 4 6 0 22.24 49.44 59.78 o 6 6 0 3859.15 3655.70 109.07 o 8 6 0 4089.02 4150.05 218.47 o 10 6 0 75.71 196.01 66.05 o 12 6 0 2544.76 2657.83 139.07 o 14 6 0 6037.11 6034.06 188.98 o 16 6 0 1899.45 2076.25 134.14 o 18 6 0 442.45 535.12 130.58 o 20 6 0 2074.40 2664.46 183.74 o 22 6 0 2064.33 2299.11 206.33 o 1 7 0 17687.04 17167.81 491.87 o 3 7 0 54494.75 53553.00 1131.58 o 5 7 0 34076.99 34072.55 751.78 o 7 7 0 1362.08 1463.30 70.69 o 9 7 0 44979.61 44461.45 813.19 o 11 7 0 27706.05 28143.32 550.78 o 13 7 0 1012.64 1204.92 110.44 o 15 7 0 9910.05 10356.69 401.20 o 17 7 0 16557.15 16870.14 1004.97 o 19 7 0 2897.63 3052.85 252.98 o 21 7 0 1531.31 2117.19 312.99 o 0 8 0 91144.88 88849.30 3187.50 o 2 8 0 29830.39 27677.06 951.16 o 4 8 0 5804.75 6295.36 368.53 o 6 8 0 46860.52 45372.45 989.55 o 8 8 0 48790.71 47159.83 1028.45 o 10 8 0 2676.46 2571.30 120.97 o 12 8 0 16756.98 17489.03 423.55 o 14 8 0 26286.19 26787.04 622.38 o 16 8 0 6991.00 7143.72 341.49 o 18 8 0 1240.55 1666.25 166.13 o 20 8 0 7832.49 8650.13 482.78 o 1 9 0 1057.03 1434.88 146.73 o 3 9 0 7995.73 7923.40 403.74 o 5 9 0 6678.54 6922.68 432.72 o 7 9 0 82.27 216.27 86.88 o 9 9 0 3652.98 4030.81 187.42 o 11 9 0 4085.14 4409.67 209.53 o 13 9 0 3195.34 3727.62 256.86 o 15 9 0 59.34 246.23 110.88 o 17 9 0 3339.76 3948.52 328.60 o 19 9 0 1095.14 1593.88 192.26 o 0 10 0 23487.14 24606.15 996.49 o 2 10 0 6890.73 6871.41 217.53 o 4 10 0 1546.80 1551.96 126.41 o 6 10 0 19736.46 19499.31 481.89 o 8 10 0 24686.77 24430.12 577.09 o 10 10 0 76.54 47.12 103.48 o 12 10 0 9741.62 9273.65 309.61 o 14 10 0 14167.08 14629.23 534.70 o 16 10 0 3311.65 4002.68 600.79 o 18 10 0 2613.41 3078.54 205.02 o 1 11 0 1259.87 1582.58 140.07 o 3 11 0 5056.07 5280.62 200.18 o 5 11 0 3675.05 3881.58 185.52 o 7 11 0 1788.57 1929.42 156.08 o 9 11 0 2254.11 2433.78 159.11 o 11 11 0 5349.30 6024.81 399.75 o 13 11 0 3545.59 4232.09 698.38 o 15 11 0 12.51 16.77 239.37 o 17 11 0 2718.33 3180.68 397.03 o 0 12 0 36345.24 36331.87 1424.79 o 2 12 0 10536.49 11279.76 312.54 o 4 12 0 2677.14 3177.82 208.15 o 6 12 0 29239.81 29258.50 684.83 o 8 12 0 15717.56 15496.42 515.89 o 10 12 0 11.58 217.93 115.30 o 12 12 0 7989.28 8120.67 538.81 o 14 12 0 9055.88 9840.78 614.61 o 1 13 0 3293.91 3526.57 245.34 o 3 13 0 17465.37 17472.21 440.02 o 5 13 0 8843.41 9344.27 351.07 o 7 13 0 534.65 837.85 161.60 o 9 13 0 11083.83 10781.58 409.11 o 11 13 0 7554.14 6920.42 483.03 o 4 14 0 14.75 180.88 134.67 o 6 14 0 229.37 422.86 165.60 o -25 1 1 323.22 64.28 114.16 o -23 1 1 18013.10 17293.12 399.07 o -21 1 1 23924.67 22557.81 434.93 o -19 1 1 171.06 254.77 75.36 o -17 1 1 22528.49 22535.23 341.13 o -15 1 1 58902.39 59421.76 718.64 o -13 1 1 35535.14 35255.42 447.95 o -11 1 1 31695.23 31445.17 607.71 o -9 1 1 176627.33 169344.94 3585.10 o -7 1 1 121093.55 116575.59 5685.40 o -5 1 1 128.76 174.46 46.37 o 1 1 1 58045.00 61364.99 2146.97 o 7 1 1 142668.78 137287.13 6769.22 o 9 1 1 438.08 539.09 136.47 o 11 1 1 69326.88 68303.41 1048.48 o 13 1 1 96873.02 96352.08 1259.74 o 15 1 1 3817.42 4127.01 118.68 o 17 1 1 9323.46 9015.26 219.01 o 19 1 1 36496.88 35870.43 499.04 o 21 1 1 11732.50 11689.26 238.29 o 23 1 1 1250.94 1276.49 103.09 o 25 1 1 10002.51 8754.96 264.39 o -24 2 1 6317.70 6090.76 206.92 o -22 2 1 667.91 678.83 124.16 o -20 2 1 8897.51 9161.66 215.82 o -18 2 1 16724.25 16357.01 285.61 o -16 2 1 1666.43 1657.71 95.05 o -14 2 1 2322.49 2734.31 115.91 o -12 2 1 41817.56 40354.01 497.32 o -10 2 1 13902.46 13475.63 219.66 o -8 2 1 20.08 88.11 35.41 o -2 2 1 16167.30 15996.11 590.56 o 0 2 1 9535.28 10767.37 400.38 o 2 2 1 75519.65 76350.87 3434.14 o 4 2 1 13730.82 15494.90 551.74 o 6 2 1 757.70 748.27 103.72 o 8 2 1 18926.78 17311.79 345.07 o 10 2 1 33319.19 33780.34 507.96 o 12 2 1 10511.03 10146.92 189.43 o 14 2 1 16470.91 16353.02 295.36 o 16 2 1 18965.33 19341.19 316.82 o 18 2 1 1787.84 2173.41 108.50 o 20 2 1 1568.05 1683.76 110.80 o 22 2 1 11334.74 11054.12 278.57 o 24 2 1 3609.82 3859.20 177.54 o -25 3 1 0.87 31.28 158.35 o -23 3 1 1790.40 1743.28 136.46 o -21 3 1 4129.70 4423.74 207.00 o -19 3 1 4019.35 4251.06 160.21 o -17 3 1 646.82 771.81 96.82 o -15 3 1 15282.57 14788.54 304.35 o -13 3 1 25281.68 25201.64 448.05 o -11 3 1 768.75 863.63 118.19 o -9 3 1 23175.79 22689.45 438.94 o -7 3 1 49747.73 49628.60 1018.80 o -5 3 1 561.99 664.96 50.54 o -3 3 1 49340.59 47520.52 1697.51 o -1 3 1 86780.66 86414.41 3033.21 o 1 3 1 12199.83 12698.34 487.02 o 5 3 1 78019.01 76614.11 3002.44 o 7 3 1 43276.89 43873.12 704.83 o 9 3 1 24546.62 25009.04 479.34 o 11 3 1 46344.98 44412.88 806.08 o 13 3 1 7809.74 7861.86 199.96 o 15 3 1 122.45 151.25 82.31 o 17 3 1 7409.04 7242.08 243.25 o 19 3 1 10132.90 9774.00 233.12 o 21 3 1 1516.16 1641.75 121.31 o 23 3 1 1380.70 1720.25 141.02 o 25 3 1 2096.10 2050.68 170.41 o -24 4 1 5001.34 5104.54 302.18 o -22 4 1 1.09 53.45 90.12 o -20 4 1 13468.54 12920.88 272.22 o -18 4 1 29506.32 29001.90 691.46 o -16 4 1 4975.78 5052.79 171.33 o -14 4 1 14938.01 14603.88 294.17 o -12 4 1 88486.91 86143.02 1406.70 o -10 4 1 84899.20 84129.17 1684.09 o -8 4 1 604.47 940.41 86.99 o -6 4 1 178769.08 165891.63 4196.50 o -4 4 1 309238.13 281045.31 6932.00 o -2 4 1 33504.03 34480.36 1264.39 o 0 4 1 174225.61 169158.55 5915.03 o 4 4 1 123785.87 118891.04 2091.98 o 6 4 1 23624.21 23558.77 436.25 o 8 4 1 161607.31 155311.59 2608.60 o 10 4 1 135262.19 130861.21 2821.89 o 12 4 1 5010.30 5124.94 172.08 o 14 4 1 41682.58 41580.66 699.38 o 16 4 1 48827.80 48934.38 805.74 o 18 4 1 7401.28 7552.87 211.84 o 20 4 1 2290.83 2708.98 145.17 o 22 4 1 11498.34 11534.68 335.38 o 24 4 1 6703.06 6733.09 227.96 o -23 5 1 822.52 765.23 135.20 o -21 5 1 62.63 242.10 130.18 o -19 5 1 275.40 364.51 88.83 o -17 5 1 4004.58 3877.93 162.56 o -15 5 1 306.38 485.52 75.65 o -13 5 1 21.26 94.68 55.37 o -11 5 1 850.59 999.76 77.85 o -9 5 1 479.37 834.46 121.72 o -7 5 1 0.21 36.07 96.69 o -5 5 1 1040.24 1132.89 84.08 o -3 5 1 1714.22 1991.15 95.80 o -1 5 1 0.07 25.46 94.11 o 1 5 1 2713.65 2996.41 135.38 o 3 5 1 6714.05 7338.00 385.11 o 5 5 1 2518.37 2912.16 90.80 o 7 5 1 6772.44 7327.15 256.57 o 9 5 1 2761.90 3013.48 171.26 o 11 5 1 1054.20 1272.43 84.40 o 13 5 1 2348.69 2592.83 182.07 o 15 5 1 1310.55 1536.86 120.13 o 17 5 1 1794.50 2002.53 115.82 o 19 5 1 212.93 493.22 89.94 o 21 5 1 674.02 737.54 101.38 o 23 5 1 210.30 214.83 125.99 o -22 6 1 428.74 315.07 153.64 o -20 6 1 10506.54 10036.09 314.56 o -18 6 1 24256.31 23235.13 542.86 o -16 6 1 4241.53 4317.15 174.44 o -14 6 1 6713.76 6620.10 234.15 o -12 6 1 36910.14 37376.20 714.64 o -10 6 1 20211.16 20773.61 421.00 o -8 6 1 705.93 761.12 69.99 o -6 6 1 41138.27 40976.85 728.62 o -4 6 1 40990.49 38949.19 839.29 o -2 6 1 6410.62 6404.54 251.58 o 0 6 1 20962.73 20587.40 567.12 o 2 6 1 84397.85 83018.00 2096.27 o 4 6 1 20974.36 20098.99 458.78 o 6 6 1 5039.96 4936.59 127.25 o 8 6 1 43723.34 42609.84 774.71 o 10 6 1 32035.87 32588.59 620.60 o 12 6 1 1432.50 1831.60 133.16 o 14 6 1 25615.21 25228.74 498.66 o 16 6 1 31643.89 32911.83 1406.82 o 18 6 1 5761.38 5473.70 231.89 o 20 6 1 5364.71 5435.05 240.63 o 22 6 1 13890.80 13577.94 599.00 o -21 7 1 4083.95 4345.11 391.47 o -19 7 1 10.93 -0.34 150.73 o -17 7 1 11005.80 10934.40 455.84 o -15 7 1 12641.40 13471.13 382.20 o -13 7 1 3435.07 3841.48 220.25 o -11 7 1 6378.86 6498.71 193.58 o -9 7 1 41963.74 41865.47 768.70 o -7 7 1 17343.54 16954.77 302.82 o -5 7 1 27.10 61.66 71.54 o -3 7 1 27984.71 27157.70 1252.62 o -1 7 1 41892.45 40447.74 1060.60 o 1 7 1 10118.48 9851.07 314.76 o 3 7 1 7613.56 7275.49 208.30 o 5 7 1 28767.14 27365.24 525.57 o 7 7 1 29041.36 29036.70 652.15 o 9 7 1 2163.60 2533.63 113.86 o 11 7 1 7805.70 8398.85 224.72 o 13 7 1 26878.63 27669.62 558.32 o 15 7 1 6301.47 6077.25 249.37 o 17 7 1 776.94 923.09 176.44 o 19 7 1 8573.71 8412.86 371.31 o 21 7 1 5169.92 5645.57 439.46 o -20 8 1 2855.76 3278.76 329.89 o -18 8 1 6660.44 6951.60 278.75 o -16 8 1 1359.05 1500.85 172.68 o -14 8 1 968.22 1359.62 177.32 o -12 8 1 15083.57 15277.23 432.38 o -10 8 1 14566.77 14778.53 317.25 o -8 8 1 149.63 314.29 86.64 o -6 8 1 25841.84 24600.32 624.42 o -4 8 1 46206.24 43348.70 1269.20 o -2 8 1 2929.04 3049.05 250.74 o 0 8 1 17342.45 17083.00 503.25 o 2 8 1 48387.73 46701.03 1225.16 o 4 8 1 24849.74 23746.14 546.42 o 6 8 1 4163.79 4456.91 313.24 o 8 8 1 26570.07 25951.03 601.77 o 10 8 1 17144.56 17011.84 482.63 o 12 8 1 58.69 147.73 82.70 o 14 8 1 15327.44 15076.28 351.58 o 16 8 1 10101.68 10332.26 367.76 o 18 8 1 758.97 825.37 143.48 o 20 8 1 797.06 876.84 241.20 o -19 9 1 713.67 916.31 170.48 o -17 9 1 3766.59 4449.80 225.18 o -15 9 1 21825.89 22514.93 542.61 o -13 9 1 16810.57 17526.69 482.30 o -11 9 1 2028.56 2174.93 158.77 o -9 9 1 34187.19 33603.09 766.37 o -7 9 1 40650.54 39735.02 757.81 o -5 9 1 1640.26 2096.56 232.44 o -3 9 1 38916.96 35537.63 1151.89 o -1 9 1 75092.80 71575.06 1498.09 o 1 9 1 18690.69 18045.71 535.04 o 3 9 1 13920.20 12697.83 478.52 o 5 9 1 66899.29 62359.61 1633.53 o 7 9 1 20746.67 19945.58 415.81 o 9 9 1 506.03 550.21 134.68 o 11 9 1 26343.29 26113.02 629.17 o 13 9 1 22141.55 22020.48 454.18 o 15 9 1 1693.67 2005.48 156.63 o 17 9 1 5378.58 5702.05 245.41 o 19 9 1 9849.55 10631.14 400.42 o -18 10 1 40.23 219.34 229.93 o -16 10 1 9.88 258.52 177.71 o -14 10 1 11.02 -40.50 160.02 o -12 10 1 33.18 71.55 150.20 o -10 10 1 445.51 425.46 111.27 o -8 10 1 339.82 334.90 101.46 o -6 10 1 291.63 404.16 102.82 o -4 10 1 522.98 574.95 103.34 o -2 10 1 15.69 115.44 83.59 o 0 10 1 2032.25 1953.88 170.16 o 2 10 1 131.40 70.56 85.76 o 4 10 1 78.77 44.07 90.57 o 6 10 1 1790.23 1820.49 120.42 o 8 10 1 42.14 282.72 92.12 o 10 10 1 72.26 276.50 152.43 o 12 10 1 50.16 266.98 116.72 o 14 10 1 89.20 186.05 166.94 o 16 10 1 91.84 375.29 182.64 o 18 10 1 28.45 136.11 133.00 o -17 11 1 3442.00 5506.86 494.33 o -15 11 1 16144.03 19296.86 931.69 o -13 11 1 7382.69 7978.38 374.33 o -11 11 1 1101.51 1358.10 168.99 o -9 11 1 15038.35 15271.53 402.58 o 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