#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/56/2015691.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_2015691_Fobs loop_ _publ_author_name 'Jones, Peter G.' 'Friedrichs, Steffi' _publ_section_title ; Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide ; _journal_coeditor_code GD3058 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m623 _journal_page_last m627 _journal_volume 62 _journal_year 2006 _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 111.596 _cell_angle_gamma 90.000 _cell_length_a 17.4002 _cell_length_b 10.1254 _cell_length_c 17.1493 _exptl_crystal_F_000 1840.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file gd3058IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' C:\SF\OWSLA in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 658.20 _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 4 0 0 5660.03 5310.60 200.21 o 6 0 0 154585.48 157303.23 970.00 o 8 0 0 2469.03 2301.69 225.47 o 10 0 0 4044.43 4495.59 346.44 o 12 0 0 138353.69 142494.34 1734.95 o 14 0 0 22307.97 23530.41 571.06 o 16 0 0 4472.78 4174.83 388.29 o 18 0 0 38352.25 40201.75 847.51 o 20 0 0 12993.74 13168.95 625.59 o 3 1 0 36106.64 37577.00 314.42 o 5 1 0 9444.56 9538.00 180.60 o 7 1 0 37288.63 36335.46 318.00 o 9 1 0 18358.15 18414.81 265.55 o 11 1 0 2847.65 2938.52 210.36 o 13 1 0 20662.27 20746.11 382.81 o 15 1 0 5366.59 5173.37 283.04 o 17 1 0 179.02 514.63 257.42 o 19 1 0 506.32 472.44 303.96 o 0 2 0 98125.43 98441.27 870.89 o 2 2 0 215768.77 216931.84 1800.63 o 4 2 0 44950.50 44331.38 352.53 o 6 2 0 15241.35 15634.13 214.51 o 8 2 0 23071.35 22961.87 284.25 o 10 2 0 69302.56 71073.39 514.58 o 12 2 0 22983.99 22606.65 368.60 o 14 2 0 30172.58 30690.73 453.73 o 16 2 0 15712.17 16425.25 392.21 o 18 2 0 2815.81 2996.12 302.75 o 20 2 0 5103.66 5049.08 380.83 o 1 3 0 15541.21 16380.75 220.11 o 3 3 0 1774.21 1744.49 131.43 o 5 3 0 1602.99 1601.63 141.64 o 7 3 0 27941.47 27785.42 347.48 o 9 3 0 3550.55 3631.57 196.37 o 11 3 0 12579.96 12864.72 300.72 o 13 3 0 12403.01 13076.10 329.93 o 15 3 0 467.35 400.57 248.26 o 17 3 0 750.05 708.49 272.58 o 19 3 0 240.54 403.02 289.29 o 0 4 0 8027.45 8723.83 249.12 o 2 4 0 76072.75 76256.96 420.02 o 4 4 0 89311.56 88742.30 481.42 o 6 4 0 12094.09 12963.33 260.38 o 8 4 0 105634.29 105928.22 713.78 o 10 4 0 101725.70 101824.72 1079.91 o 12 4 0 4934.10 4773.14 307.71 o 14 4 0 12604.43 12605.20 403.58 o 16 4 0 14593.95 14256.22 467.73 o 18 4 0 141.73 551.80 326.50 o 20 4 0 1202.50 1018.33 370.93 o 1 5 0 3380.53 3329.31 342.56 o 3 5 0 137262.72 133444.50 894.70 o 5 5 0 321.15 412.10 218.43 o 7 5 0 8543.94 8502.47 430.96 o 9 5 0 32091.51 31546.12 573.22 o 11 5 0 2685.58 2878.46 397.99 o 13 5 0 281.63 410.13 337.86 o 15 5 0 24885.84 25619.12 665.36 o 17 5 0 3456.10 3784.99 850.58 o 19 5 0 200.36 228.34 424.15 o 0 6 0 71225.79 68425.88 970.27 o 2 6 0 7989.53 7838.34 316.27 o 4 6 0 762.45 896.19 249.85 o 6 6 0 59058.88 59110.98 716.81 o 8 6 0 3155.51 3135.28 333.96 o 10 6 0 558.50 762.62 327.03 o 12 6 0 25972.11 25441.44 612.40 o 14 6 0 5036.96 5488.05 462.94 o 16 6 0 1467.62 1291.84 515.93 o 18 6 0 8077.88 7805.84 583.91 o 1 7 0 49387.53 48505.52 654.32 o 3 7 0 9386.14 9498.64 374.93 o 5 7 0 5943.45 6202.12 370.09 o 7 7 0 907.27 1250.40 326.86 o 9 7 0 778.66 870.90 315.13 o 11 7 0 4189.39 4982.80 603.80 o 13 7 0 13057.98 12697.39 548.50 o 15 7 0 5498.07 5770.97 479.30 o 17 7 0 3883.15 4094.40 532.51 o 0 8 0 43244.24 41795.21 959.43 o 2 8 0 4833.55 5526.97 363.68 o 4 8 0 2135.47 2369.68 339.18 o 6 8 0 7199.77 7613.60 406.46 o 8 8 0 629.29 727.92 348.19 o 10 8 0 987.39 942.52 367.67 o 12 8 0 3443.69 3201.65 431.69 o 14 8 0 1255.59 1218.74 430.80 o 16 8 0 2057.77 1398.05 505.62 o 1 9 0 35184.25 33369.23 678.02 o 3 9 0 242.93 424.22 318.87 o 5 9 0 11327.99 11434.10 492.83 o 7 9 0 22165.21 21409.18 598.06 o 9 9 0 228.46 548.68 357.01 o 11 9 0 14093.03 14843.91 609.87 o 13 9 0 21537.21 21549.01 727.16 o 15 9 0 2304.16 1612.97 511.05 o 0 10 0 4563.82 4562.92 588.26 o 2 10 0 6238.02 6630.74 432.79 o 4 10 0 7401.33 7537.61 458.73 o 6 10 0 1743.48 1895.21 396.59 o 8 10 0 3796.42 3897.47 650.41 o 10 10 0 4619.44 4756.69 479.41 o 12 10 0 1259.02 853.07 446.46 o 1 11 0 3218.77 3247.51 428.54 o 3 11 0 14735.25 16545.32 599.57 o 5 11 0 5951.66 6132.03 480.28 o 7 11 0 3197.52 4124.64 454.21 o 9 11 0 13180.88 13884.80 651.51 o 11 11 0 5839.02 6243.70 566.92 o 0 12 0 965.43 322.23 589.89 o 2 12 0 558.32 750.44 413.18 o 4 12 0 35.98 -94.15 412.99 o 6 12 0 812.07 888.64 459.17 o 8 12 0 1444.03 1493.32 455.73 o 1 13 0 6328.23 6436.44 853.97 o 3 13 0 12249.89 12852.04 667.91 o -21 1 1 2552.40 2597.57 491.80 o -19 1 1 4948.62 4902.82 460.05 o -17 1 1 315.91 389.11 372.44 o -15 1 1 30452.91 30019.93 638.06 o -13 1 1 93070.27 95339.79 960.70 o -11 1 1 16130.44 15777.59 407.28 o -9 1 1 43103.59 42782.53 516.80 o -7 1 1 118032.46 119398.48 885.96 o -5 1 1 15865.77 16943.19 276.58 o -3 1 1 17927.98 18139.36 230.33 o 3 1 1 1413.25 1732.01 171.98 o 5 1 1 220078.31 231143.78 1324.85 o 7 1 1 14089.74 13572.81 308.62 o 9 1 1 2504.43 2504.52 246.49 o 11 1 1 69796.83 69344.32 1261.14 o 13 1 1 8357.26 8115.79 405.64 o 15 1 1 7139.27 6274.67 426.46 o 17 1 1 14870.85 15360.37 714.79 o 19 1 1 1382.43 1793.35 438.08 o -20 2 1 12214.74 12648.41 682.36 o -18 2 1 1120.94 718.18 403.11 o -16 2 1 213.63 10.04 342.60 o -14 2 1 22070.43 21857.96 564.59 o -12 2 1 42.88 173.58 272.73 o -10 2 1 26331.65 25133.29 677.92 o -8 2 1 54428.30 57215.20 576.73 o -6 2 1 74.62 141.68 214.32 o -4 2 1 52043.70 54254.98 437.53 o -2 2 1 369101.63 337501.31 3143.00 o 0 2 1 23264.35 24048.60 265.75 o 2 2 1 19482.71 20178.42 679.08 o 4 2 1 73932.18 77066.74 541.66 o 6 2 1 144.96 364.93 190.08 o 8 2 1 37291.63 37002.70 1151.86 o 10 2 1 10461.57 10579.97 362.36 o 12 2 1 12313.27 12392.32 433.44 o 14 2 1 922.77 1320.88 336.90 o 16 2 1 7819.44 7488.96 486.50 o 18 2 1 9050.70 9411.80 541.78 o 20 2 1 1876.72 2097.52 471.40 o -19 3 1 1538.75 1753.30 422.72 o -17 3 1 35544.73 37327.67 1130.68 o -15 3 1 14691.73 14750.54 513.90 o -13 3 1 6004.53 5657.20 399.70 o -11 3 1 85328.48 84516.66 858.23 o -9 3 1 17071.12 17183.48 395.80 o -7 3 1 10542.36 11378.04 313.03 o -5 3 1 143026.22 145134.38 1763.95 o -3 3 1 108745.90 109225.35 2493.64 o -1 3 1 1978.93 2053.86 247.44 o 1 3 1 344542.94 328935.44 4632.10 o 3 3 1 203131.55 206136.67 3398.31 o 5 3 1 2142.39 1986.21 214.96 o 7 3 1 64004.17 62734.88 1051.98 o 9 3 1 34908.04 34962.80 1075.49 o 11 3 1 5607.54 5617.50 348.19 o 13 3 1 41280.95 39899.11 707.26 o 15 3 1 42447.03 41544.84 910.13 o 17 3 1 2562.52 1727.67 421.05 o 19 3 1 6231.79 6179.80 518.25 o -20 4 1 232.64 444.24 618.30 o -18 4 1 1757.10 2108.15 600.47 o -16 4 1 8377.60 8626.07 680.39 o -14 4 1 76.48 70.14 449.41 o -12 4 1 16424.28 15711.09 702.11 o -10 4 1 24741.70 27445.31 735.28 o -8 4 1 833.52 810.93 345.69 o -6 4 1 3517.25 3447.55 262.35 o -4 4 1 31319.63 31834.75 424.86 o -2 4 1 151.57 121.54 178.77 o 0 4 1 14437.01 14537.53 295.42 o 2 4 1 77559.73 76608.50 1375.48 o 4 4 1 4901.30 5197.12 257.20 o 6 4 1 1116.94 1286.70 222.44 o 8 4 1 16123.82 16071.19 409.13 o 10 4 1 100.81 36.25 282.60 o 12 4 1 2090.44 2092.58 333.70 o 14 4 1 15303.04 15328.50 542.68 o 16 4 1 2934.63 3010.20 427.43 o 18 4 1 630.52 1057.55 422.52 o -19 5 1 2510.32 1755.04 634.41 o -17 5 1 10282.51 12164.40 764.19 o -15 5 1 12997.35 13402.44 783.62 o -13 5 1 4763.35 4373.83 546.73 o -11 5 1 9059.61 8839.71 605.50 o -9 5 1 4346.74 5234.52 466.16 o -7 5 1 15093.24 15298.39 574.48 o -5 5 1 20410.05 19934.17 564.12 o -3 5 1 43888.46 41222.50 725.51 o -1 5 1 25531.94 25967.90 575.59 o 1 5 1 63204.36 62054.43 859.93 o 3 5 1 104230.31 104626.33 1122.64 o 5 5 1 13560.33 12767.85 492.99 o 7 5 1 3800.57 4017.74 432.24 o 9 5 1 2668.09 2396.02 460.47 o 11 5 1 6617.10 6122.09 547.31 o 13 5 1 21490.00 21129.34 847.17 o 15 5 1 17107.38 17673.59 860.66 o 17 5 1 6054.24 6233.19 731.63 o 19 5 1 3030.59 3211.59 707.33 o -18 6 1 454.32 906.74 613.15 o -16 6 1 5412.06 4628.52 666.42 o -14 6 1 1278.82 888.89 517.22 o -12 6 1 31900.06 33395.21 954.22 o -10 6 1 82126.44 81087.99 1317.03 o -8 6 1 571.73 613.25 439.15 o -6 6 1 5815.27 5803.00 477.07 o -4 6 1 34955.14 35017.43 749.29 o -2 6 1 462.98 522.30 324.81 o 0 6 1 22272.27 21357.97 604.12 o 2 6 1 83052.87 79015.05 1060.95 o 4 6 1 2285.38 2369.96 372.01 o 6 6 1 17273.91 17482.27 645.55 o 8 6 1 50989.65 49544.54 1005.99 o 10 6 1 6577.25 6603.81 560.31 o 12 6 1 1530.20 1845.62 491.30 o 14 6 1 16861.04 16126.18 834.43 o 16 6 1 2774.96 2665.45 598.10 o 18 6 1 913.25 1748.81 654.83 o -17 7 1 49.64 -231.20 584.49 o -15 7 1 2882.95 3084.33 621.55 o -13 7 1 17283.80 18972.88 863.47 o -11 7 1 187.96 -33.77 457.23 o -9 7 1 20695.88 19675.08 755.72 o -7 7 1 65032.98 64896.68 1176.42 o -5 7 1 232.17 137.69 402.69 o -3 7 1 3877.15 3803.94 447.83 o -1 7 1 77022.15 77194.23 1143.76 o 1 7 1 493.93 930.24 392.37 o 3 7 1 5495.92 5665.49 495.14 o 5 7 1 85483.51 84318.55 1266.56 o 7 7 1 504.90 332.59 431.33 o 9 7 1 2694.75 2993.78 486.39 o 11 7 1 39073.77 39409.69 1064.84 o 13 7 1 2981.35 3737.43 621.60 o 15 7 1 742.77 85.75 600.23 o 17 7 1 11052.51 9991.20 891.93 o -16 8 1 340.84 714.45 631.31 o -14 8 1 23354.39 23711.03 1001.28 o -12 8 1 8878.33 8911.45 706.55 o -10 8 1 1022.47 1567.10 511.97 o -8 8 1 36367.18 34955.86 1006.51 o -6 8 1 7169.40 7257.69 589.17 o -4 8 1 223.31 368.91 446.85 o -2 8 1 46391.79 44025.09 987.38 o 0 8 1 34863.47 33840.29 875.84 o 2 8 1 1657.56 1453.38 470.59 o 4 8 1 46745.17 48709.24 1050.40 o 6 8 1 20411.44 18715.53 784.40 o 8 8 1 288.52 672.89 459.85 o 10 8 1 15989.63 18125.67 800.35 o 12 8 1 17656.53 18396.87 889.50 o 14 8 1 1651.90 1076.11 561.45 o 16 8 1 5542.22 5197.85 796.47 o -15 9 1 1223.88 2118.04 613.32 o -13 9 1 334.06 -111.71 594.94 o -11 9 1 7372.94 8173.07 721.69 o -9 9 1 4826.90 5133.11 619.51 o -7 9 1 3595.30 2770.96 559.39 o -5 9 1 11793.94 10656.43 652.97 o -3 9 1 615.07 670.40 465.12 o -1 9 1 2416.48 2085.77 473.33 o 1 9 1 5252.22 6104.38 549.50 o 3 9 1 9025.83 8901.09 628.71 o 5 9 1 2595.34 2538.34 517.55 o 7 9 1 7910.71 8523.80 667.31 o 9 9 1 5306.04 5115.70 658.66 o 11 9 1 675.11 672.98 587.23 o 13 9 1 2089.19 1954.98 600.53 o -14 10 1 6159.28 4935.97 794.02 o -12 10 1 6577.88 5640.32 744.75 o -10 10 1 2032.58 2087.58 629.13 o -8 10 1 4613.47 5538.20 601.19 o -6 10 1 5242.65 4868.37 614.40 o -4 10 1 5571.26 5853.65 588.49 o -2 10 1 30273.84 29669.08 952.82 o 0 10 1 32700.81 33756.97 1019.74 o 2 10 1 15710.48 15797.68 802.96 o 4 10 1 9013.05 9559.84 711.90 o 6 10 1 5770.49 5515.06 637.96 o 8 10 1 2703.55 1760.53 569.51 o 10 10 1 4625.36 3945.04 689.60 o 12 10 1 6170.49 6113.09 734.20 o -11 11 1 851.91 745.76 647.02 o -9 11 1 25.16 -83.13 605.26 o -7 11 1 921.17 1044.64 553.50 o -5 11 1 3795.63 4081.90 637.39 o -3 11 1 1108.20 1120.10 540.56 o -1 11 1 811.79 956.26 543.09 o 1 11 1 4129.77 3825.00 608.88 o 3 11 1 2102.76 2059.10 610.97 o 5 11 1 865.84 1340.86 597.67 o 7 11 1 2789.05 3690.03 650.11 o 9 11 1 985.24 244.27 621.07 o 11 11 1 2054.37 2797.14 722.68 o -8 12 1 672.41 1101.68 649.58 o -6 12 1 4051.15 4695.81 728.44 o -4 12 1 13390.61 13486.95 864.15 o -2 12 1 1838.13 1749.45 590.08 o 0 12 1 9750.69 10001.62 829.12 o 2 12 1 25276.14 27323.07 1101.42 o 4 12 1 1991.33 1936.71 670.70 o 6 12 1 1693.33 1520.58 647.22 o 8 12 1 6413.08 7326.55 848.78 o -3 13 1 223.20 -51.96 633.88 o -1 13 1 2093.09 2290.27 738.29 o 1 13 1 1044.32 93.55 675.65 o -20 0 2 12401.18 11287.58 790.78 o -18 0 2 660.04 867.86 527.47 o -16 0 2 15676.57 15501.44 743.02 o -14 0 2 49602.77 47665.74 1030.83 o -12 0 2 509.18 363.79 376.78 o -10 0 2 79865.14 79101.87 1003.79 o -8 0 2 140872.06 142347.88 1200.82 o -6 0 2 27511.22 29227.14 482.74 o -4 0 2 177313.61 178271.33 1004.17 o 2 0 2 79013.38 83014.77 625.65 o 4 0 2 355123.28 384463.34 1763.86 o 6 0 2 8387.09 9345.31 382.30 o 8 0 2 23761.51 23723.96 579.02 o 10 0 2 75158.64 75578.23 1100.46 o 12 0 2 7154.95 7648.18 550.21 o 14 0 2 17976.47 18814.13 741.35 o 16 0 2 84251.78 82984.50 1548.75 o 18 0 2 4710.76 4806.63 681.83 o 20 0 2 913.89 1564.31 634.04 o -21 1 2 1125.87 917.49 447.38 o -19 1 2 5144.64 5522.54 464.52 o -17 1 2 1714.96 1746.21 373.09 o -15 1 2 17406.40 16628.80 511.94 o -13 1 2 1829.10 2465.27 497.96 o -11 1 2 2177.55 2001.16 276.79 o -9 1 2 76011.58 75533.94 662.63 o -7 1 2 296.20 140.08 171.73 o -5 1 2 65814.41 67756.43 559.78 o -3 1 2 30078.32 30471.13 460.40 o -1 1 2 10154.03 10641.68 218.71 o 1 1 2 66743.52 67673.48 1076.72 o 3 1 2 181332.13 194640.06 1412.87 o 5 1 2 2682.77 2553.38 197.08 o 7 1 2 31891.06 32715.87 441.95 o 9 1 2 26144.36 26151.48 465.38 o 11 1 2 779.45 942.33 288.90 o 13 1 2 10954.79 10549.09 865.82 o 15 1 2 1085.78 595.57 361.81 o 17 1 2 119.06 595.34 388.24 o 19 1 2 487.07 1006.05 447.12 o -20 2 2 4242.09 4489.62 486.55 o -18 2 2 8372.20 7798.24 492.96 o -16 2 2 4798.58 5052.95 416.43 o -14 2 2 13169.57 14053.86 472.42 o -12 2 2 44307.79 42509.23 645.07 o -10 2 2 31582.12 31629.91 738.87 o -8 2 2 27681.95 27968.90 540.60 o -6 2 2 73382.59 74337.27 568.99 o -4 2 2 10749.88 10128.90 237.53 o -2 2 2 29626.77 28769.53 902.09 o 0 2 2 97903.09 99683.35 1039.08 o 2 2 2 216467.70 222411.50 1467.03 o 4 2 2 13322.81 13012.91 275.83 o 6 2 2 74541.41 75672.34 633.69 o 8 2 2 13524.12 13111.13 357.99 o 10 2 2 8723.19 8975.02 360.05 o 12 2 2 23268.85 23027.11 541.90 o 14 2 2 25543.56 25347.94 606.72 o 16 2 2 9147.99 8857.46 503.36 o 18 2 2 10853.40 10551.05 545.42 o -21 3 2 1739.73 973.99 475.11 o -19 3 2 1583.17 1709.98 427.49 o -17 3 2 136.96 387.84 357.26 o -15 3 2 10245.39 10013.65 465.67 o -13 3 2 5225.36 5023.52 378.49 o -11 3 2 11394.67 11280.63 396.51 o -9 3 2 34178.02 33381.64 508.57 o -7 3 2 705.67 791.55 257.32 o -5 3 2 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