#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:00:44 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180941 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/21/2202176.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_2202176_Fobs loop_ _publ_author_name 'Wu, Meimei' 'Zhang, Liyi' 'Chen, Zhongning' _publ_section_title ; Bis[\m-bis(diphenylphosphino)methane]digold(I) bis(hexafluorophosphate) dichloromethane disolvate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m72 _journal_page_last m73 _journal_volume 59 _journal_year 2003 _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 20.6825 _cell_length_b 21.0325 _cell_length_c 13.2577 _exptl_crystal_F_000 5720.00 _reflns_d_resolution_high 0.8385 _cod_data_source_file tk6088Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' w1 in Pnma' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1002.00 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -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 2 0 0 62023.94 39664.70 1036.77 o 4 0 0 8884.17 9865.60 361.24 o 6 0 0 122523.41 184508.28 4760.00 o 8 0 0 109894.81 112931.20 3017.60 o 10 0 0 279409.34 304351.31 7847.44 o 12 0 0 460.13 508.15 331.14 o 14 0 0 66774.48 74635.63 2214.43 o 16 0 0 8227.75 8718.05 742.96 o 18 0 0 27988.55 35424.89 1484.72 o 20 0 0 126559.05 125765.04 3726.84 o 2 1 0 180249.91 206610.28 9119.03 o 4 1 0 3067.60 2013.45 237.22 o 6 1 0 142320.03 156046.39 4014.03 o 8 1 0 144961.83 167141.67 3088.33 o 10 1 0 8024.42 8321.61 351.63 o 12 1 0 138262.27 162346.56 3081.07 o 14 1 0 6909.12 7789.73 429.14 o 16 1 0 20619.04 22297.79 730.42 o 18 1 0 48629.25 52557.38 1315.06 o 20 1 0 19948.54 19976.21 2480.44 o 0 2 0 506480.84 294053.41 7476.57 o 2 2 0 4877.14 1841.27 98.76 o 4 2 0 14170.94 14147.85 1519.64 o 6 2 0 118086.66 129067.80 2385.12 o 8 2 0 13454.82 12122.78 379.57 o 10 2 0 129629.23 145537.08 4262.69 o 12 2 0 3338.79 3716.17 388.94 o 14 2 0 37058.50 40089.28 1041.59 o 16 2 0 8791.37 8228.59 864.95 o 18 2 0 9498.40 10542.41 746.57 o 20 2 0 53032.67 53034.62 1364.22 o 2 3 0 55085.92 59488.59 910.01 o 4 3 0 991.13 1003.80 152.93 o 6 3 0 225.55 486.51 722.49 o 8 3 0 15038.33 18781.70 489.12 o 10 3 0 6149.38 6263.60 337.64 o 12 3 0 7965.24 9603.10 459.85 o 14 3 0 1266.89 932.09 473.23 o 16 3 0 3070.98 3495.71 532.84 o 18 3 0 332.47 -333.25 333.25 o 20 3 0 1153.56 -180.70 400.37 o 0 4 0 9940.23 11483.98 576.79 o 2 4 0 1122.51 1282.41 191.49 o 4 4 0 911.51 1775.89 886.86 o 6 4 0 45256.13 48426.02 988.87 o 8 4 0 6376.27 6377.29 286.79 o 10 4 0 3002.28 2730.67 369.07 o 12 4 0 1927.52 1790.53 442.53 o 14 4 0 283.99 393.18 320.40 o 16 4 0 1494.67 697.99 508.75 o 18 4 0 10589.63 11519.22 2075.95 o 20 4 0 4213.14 1953.34 790.52 o 22 4 0 20.10 -599.67 599.67 o 2 5 0 322069.34 320522.66 5834.82 o 4 5 0 4303.70 4407.77 281.77 o 6 5 0 5535.48 4899.93 262.65 o 8 5 0 76196.06 83218.28 1646.32 o 10 5 0 5983.50 5907.14 662.28 o 12 5 0 60641.09 59543.25 1632.22 o 14 5 0 662.44 1281.65 325.15 o 16 5 0 7876.59 10891.36 576.06 o 18 5 0 42427.95 43856.73 1530.48 o 20 5 0 3857.46 3648.25 536.66 o 22 5 0 8756.16 4838.27 864.58 o 0 6 0 1004004.31 866029.44 22019.09 o 2 6 0 74219.98 62328.89 1423.91 o 4 6 0 105227.29 111834.08 2164.83 o 6 6 0 28149.74 29714.28 704.08 o 8 6 0 71887.65 65848.93 2430.58 o 10 6 0 185742.08 184535.03 3478.26 o 12 6 0 3035.30 2583.41 699.61 o 14 6 0 11356.53 11770.24 980.18 o 16 6 0 9197.86 9392.18 1078.92 o 18 6 0 54135.82 55216.58 1502.18 o 20 6 0 48781.07 51024.68 1375.49 o 22 6 0 98.03 -616.52 616.52 o 2 7 0 328190.06 322004.22 5965.19 o 4 7 0 33492.57 35000.67 1896.86 o 6 7 0 74363.13 74602.63 1522.19 o 8 7 0 196176.50 199306.05 3743.80 o 10 7 0 12849.22 10731.53 467.02 o 12 7 0 106834.59 112862.36 2552.80 o 14 7 0 2680.60 2667.60 373.28 o 16 7 0 42289.52 44002.44 2028.39 o 18 7 0 82257.82 87868.34 1969.47 o 20 7 0 10009.71 10978.23 1117.45 o 22 7 0 32435.34 30363.85 1668.95 o 0 8 0 176418.55 172374.06 4781.68 o 2 8 0 28493.88 23109.82 1009.08 o 4 8 0 48473.33 49013.35 860.10 o 6 8 0 53747.22 53922.57 2655.15 o 8 8 0 30788.77 30832.64 1491.34 o 10 8 0 198069.31 202296.14 5964.16 o 12 8 0 914.91 391.32 308.17 o 14 8 0 12657.58 12454.31 1579.84 o 16 8 0 22101.72 25012.91 886.29 o 18 8 0 41202.78 37994.11 1156.17 o 20 8 0 38180.88 39687.58 1835.12 o 22 8 0 70.39 -236.01 938.03 o 2 9 0 84247.17 83509.34 1865.37 o 4 9 0 29247.20 30284.62 905.16 o 6 9 0 12758.43 12051.94 681.55 o 8 9 0 59844.73 60206.68 2184.33 o 10 9 0 2876.37 2493.33 380.71 o 12 9 0 61656.39 62856.01 1882.69 o 14 9 0 1711.34 623.47 785.11 o 16 9 0 21178.41 23287.47 1089.76 o 18 9 0 21831.56 24253.96 946.32 o 20 9 0 2879.69 6011.12 1121.06 o 22 9 0 9700.06 9493.52 1385.98 o 0 10 0 5753.55 5029.73 675.53 o 2 10 0 3472.35 2700.88 494.23 o 4 10 0 39933.12 35316.48 829.62 o 6 10 0 4285.75 4325.31 1136.12 o 8 10 0 5826.46 4817.01 427.07 o 10 10 0 9800.81 11220.19 599.67 o 12 10 0 288.47 254.25 343.67 o 14 10 0 4128.33 2503.37 430.76 o 16 10 0 418.96 -296.20 296.20 o 18 10 0 3694.02 4491.65 1626.20 o 20 10 0 1062.40 2504.63 907.93 o 22 10 0 5.23 2407.10 1051.22 o 2 11 0 13055.75 12127.86 734.12 o 4 11 0 236.63 -144.88 322.51 o 6 11 0 1114.54 1388.18 437.21 o 8 11 0 4738.30 5268.08 563.54 o 10 11 0 45.93 -288.50 311.06 o 12 11 0 4897.21 4942.09 510.80 o 14 11 0 428.31 -242.30 358.32 o 16 11 0 794.45 1422.50 656.26 o 18 11 0 763.50 1228.66 516.10 o 20 11 0 496.87 3288.53 993.42 o 22 11 0 2173.76 5492.13 1402.83 o 0 12 0 362716.00 391269.28 10467.68 o 2 12 0 625.69 1133.72 530.46 o 4 12 0 3691.29 3250.38 576.96 o 6 12 0 9547.83 9114.81 2101.24 o 8 12 0 9319.92 10539.42 3148.85 o 10 12 0 47690.84 45943.37 1267.41 o 12 12 0 68.83 732.04 968.74 o 14 12 0 6403.96 5873.45 819.42 o 16 12 0 1354.69 1485.30 1998.89 o 18 12 0 7044.53 7716.19 1053.63 o 20 12 0 23718.08 23334.02 1647.28 o 2 13 0 113826.38 117589.09 2961.61 o 4 13 0 6213.49 7271.50 777.02 o 6 13 0 26894.32 26098.61 1131.30 o 8 13 0 87567.56 94623.10 2181.91 o 10 13 0 6301.51 6725.10 675.82 o 12 13 0 45622.68 49745.62 1466.69 o 14 13 0 2915.79 3080.03 602.52 o 16 13 0 10456.44 11028.75 1496.16 o 18 13 0 26090.48 27682.20 1609.95 o 20 13 0 7653.52 6782.98 1296.87 o 0 14 0 283228.00 278511.44 7700.54 o 2 14 0 8588.07 9333.00 1764.68 o 4 14 0 7457.40 5997.05 732.22 o 6 14 0 48964.11 48689.39 1939.89 o 8 14 0 28394.28 28046.07 2195.77 o 10 14 0 86908.52 81222.38 1964.91 o 12 14 0 1980.34 1498.26 669.97 o 14 14 0 41483.48 44309.42 2824.93 o 16 14 0 7013.13 8353.53 1762.27 o 18 14 0 14791.12 13892.28 1428.12 o 20 14 0 46126.05 53452.21 2588.92 o 2 15 0 58215.21 60079.13 1663.30 o 4 15 0 3757.55 4222.93 676.73 o 6 15 0 25044.94 26138.94 3419.79 o 8 15 0 66680.22 64653.70 1747.97 o 10 15 0 733.87 -367.32 506.35 o 12 15 0 56776.91 55685.34 1605.50 o 14 15 0 1922.71 3237.35 1423.91 o 16 15 0 11526.17 16544.49 1449.80 o 18 15 0 15238.03 8773.44 1154.78 o 0 16 0 98237.47 96525.86 3270.47 o 2 16 0 1067.26 3955.20 1693.03 o 4 16 0 9875.77 10809.82 1034.36 o 6 16 0 21764.44 19338.19 1379.35 o 8 16 0 10264.84 9020.07 798.73 o 10 16 0 27654.87 28857.32 1637.64 o 12 16 0 52.21 -389.44 1078.92 o 14 16 0 17982.88 16902.63 1083.95 o 16 16 0 2602.80 2627.46 1072.90 o 18 16 0 3514.95 1162.00 1057.24 o 2 17 0 1596.03 2638.18 1123.47 o 4 17 0 4638.34 5086.86 759.38 o 6 17 0 3970.58 4883.32 811.80 o 8 17 0 3754.82 1691.31 1739.39 o 10 17 0 228.17 -624.95 624.95 o 12 17 0 2123.12 1466.70 747.08 o 14 17 0 962.42 2137.13 833.88 o 16 17 0 2144.27 409.41 1093.37 o 18 17 0 327.30 -821.23 821.23 o 0 18 0 21216.62 22765.66 1699.06 o 2 18 0 239.33 312.02 1606.94 o 4 18 0 47.75 -97.24 552.89 o 6 18 0 1250.91 177.91 616.00 o 8 18 0 761.32 484.47 1124.07 o 10 18 0 2118.88 1620.09 705.59 o 12 18 0 19.95 1571.61 2569.05 o 14 18 0 183.35 -415.64 1779.73 o 16 18 0 9.93 -977.77 977.77 o 2 19 0 11767.35 12800.04 976.12 o 4 19 0 4111.44 4064.35 838.98 o 6 19 0 3634.11 2908.51 2603.97 o 8 19 0 8932.43 7707.65 2124.72 o 10 19 0 544.09 663.67 759.31 o 12 19 0 9564.68 9071.97 1083.19 o 14 19 0 299.78 3640.01 1082.50 o 16 19 0 1885.86 3896.63 1454.61 o 0 20 0 43819.95 47988.99 2433.59 o 2 20 0 1219.84 4116.12 823.47 o 4 20 0 10412.46 11572.96 1668.95 o 6 20 0 6844.76 6113.37 858.77 o 8 20 0 6947.27 4550.73 851.48 o 10 20 0 43144.29 43869.78 3709.99 o 12 20 0 336.24 1001.72 980.75 o 14 20 0 5468.34 9492.31 1770.10 o 2 21 0 41159.91 46941.16 4115.78 o 4 21 0 6413.87 6832.33 928.37 o 6 21 0 4543.81 4717.10 1033.76 o 8 21 0 26518.37 28733.31 2732.82 o 10 21 0 2465.81 -77.46 1773.11 o 12 21 0 21738.75 24068.86 1583.77 o 0 22 0 17248.74 22128.66 1898.94 o 2 22 0 4965.85 8324.33 1045.86 o 4 22 0 15691.16 13151.22 1474.48 o 6 22 0 6204.45 3801.80 801.48 o 8 22 0 5378.19 4966.70 989.92 o 10 22 0 30300.23 33162.21 1829.70 o 2 23 0 10331.34 13523.07 1198.50 o 4 23 0 4176.11 4504.33 956.89 o 6 23 0 3414.38 -1018.09 2042.24 o 8 23 0 7684.01 7066.79 2436.00 o 0 24 0 346.68 3719.62 1369.12 o 2 24 0 16.37 1278.25 910.48 o 4 24 0 1890.81 1175.11 2141.58 o 6 24 0 307.77 -1118.05 1118.05 o 2 25 0 388.77 1555.76 1488.33 o 1 0 1 266570.84 143747.81 3636.53 o 2 0 1 79848.12 72715.09 1316.74 o 3 0 1 48132.77 60626.54 3578.73 o 4 0 1 109615.06 124214.34 2335.45 o 5 0 1 304254.72 383525.78 6864.22 o 6 0 1 41080.88 52093.52 1066.27 o 7 0 1 727.04 996.52 301.04 o 8 0 1 42041.87 43735.17 1196.93 o 9 0 1 235626.75 275618.56 5021.12 o 10 0 1 6690.08 8669.36 351.65 o 11 0 1 68330.27 83167.50 1660.24 o 12 0 1 18057.84 19777.44 569.88 o 13 0 1 54965.97 58167.82 1270.52 o 14 0 1 6426.67 7759.68 851.33 o 15 0 1 45744.14 54849.72 1250.31 o 16 0 1 13833.69 16348.64 843.51 o 17 0 1 2940.73 4080.13 930.81 o 18 0 1 4999.14 6762.28 576.89 o 19 0 1 100481.80 104784.02 2229.89 o 20 0 1 207.43 7000.93 916.36 o 21 0 1 9964.83 12524.36 1086.14 o 22 0 1 3988.72 4202.48 1030.75 o 23 0 1 8240.44 12485.83 1300.48 o 0 1 1 34598.77 26656.35 8425.77 o 1 1 1 85166.75 78672.74 1695.12 o 2 1 1 165.78 1503.24 70.78 o 3 1 1 108843.30 116364.46 1489.33 o 4 1 1 2174.87 1722.84 108.80 o 5 1 1 3008.01 3633.69 325.76 o 6 1 1 25614.93 26558.03 407.45 o 7 1 1 185902.23 205750.05 2968.75 o 8 1 1 7865.02 8816.01 388.92 o 9 1 1 46677.90 51223.41 758.12 o 10 1 1 27251.80 31517.31 551.65 o 11 1 1 83297.63 92127.20 1291.28 o 12 1 1 2975.74 5827.99 820.88 o 13 1 1 44389.91 53344.73 916.39 o 14 1 1 10231.66 12916.52 370.15 o 15 1 1 672.81 888.97 432.25 o 16 1 1 3960.00 3965.57 303.31 o 17 1 1 57980.53 65438.04 1058.13 o 18 1 1 9135.37 12276.41 1075.85 o 19 1 1 1994.83 4082.49 442.69 o 20 1 1 17072.30 19046.69 704.20 o 21 1 1 35269.36 35424.99 1524.09 o 22 1 1 7.01 2248.18 1374.54 o 23 1 1 8028.53 9736.10 1698.45 o 1 2 1 103276.45 98096.47 2471.23 o 2 2 1 13217.25 11877.29 270.10 o 3 2 1 21073.54 24392.96 639.46 o 4 2 1 13286.22 13266.92 226.80 o 5 2 1 6804.59 7645.96 422.69 o 6 2 1 2996.19 2751.18 156.42 o 7 2 1 5404.01 6036.49 143.00 o 8 2 1 33521.39 35811.63 552.21 o 9 2 1 112674.77 128225.18 1715.67 o 10 2 1 374.54 545.60 358.38 o 11 2 1 48337.24 50545.50 781.68 o 12 2 1 12202.37 13281.11 396.99 o 13 2 1 14080.71 13997.38 384.20 o 14 2 1 1285.78 2053.38 528.19 o 15 2 1 20274.11 25198.60 547.56 o 16 2 1 11109.16 12026.72 478.47 o 17 2 1 960.18 1381.74 288.57 o 18 2 1 3145.88 2995.61 327.87 o 19 2 1 35997.74 37202.86 751.57 o 20 2 1 21.88 2315.70 515.01 o 21 2 1 4573.73 4824.27 659.27 o 22 2 1 1771.98 2054.27 1181.87 o 23 2 1 3486.78 2983.16 645.06 o 0 3 1 1201.20 727.49 128.50 o 1 3 1 3959.90 4173.97 154.05 o 2 3 1 12429.48 11825.87 168.28 o 3 3 1 76276.08 82401.13 1573.94 o 4 3 1 3152.86 3106.93 201.79 o 5 3 1 11084.50 11969.39 230.65 o 6 3 1 640.41 740.64 168.24 o 7 3 1 11687.07 12218.83 620.13 o 8 3 1 425.56 -139.73 263.49 o 9 3 1 687.89 692.17 142.81 o 10 3 1 3825.29 4233.16 212.24 o 11 3 1 6767.49 6459.32 263.67 o 12 3 1 704.44 591.10 199.48 o 13 3 1 1140.50 1421.16 336.06 o 14 3 1 28.25 38.45 257.93 o 15 3 1 20.97 -659.81 711.03 o 16 3 1 1004.29 557.87 307.98 o 17 3 1 5847.51 6336.05 357.72 o 18 3 1 191.79 -509.73 509.73 o 19 3 1 21.81 -304.33 304.33 o 20 3 1 1611.19 1206.46 364.70 o 21 3 1 1373.34 -137.43 422.18 o 22 3 1 177.73 278.31 761.62 o 23 3 1 1328.17 2856.24 900.70 o 1 4 1 4602.98 5075.39 245.76 o 2 4 1 21541.55 20743.79 409.54 o 3 4 1 10885.10 10477.66 202.84 o 4 4 1 47.64 -229.77 261.23 o 5 4 1 571.65 572.55 106.90 o 6 4 1 681.86 343.71 218.65 o 7 4 1 668.37 412.96 183.54 o 8 4 1 3077.94 3550.92 494.12 o 9 4 1 5825.52 5973.38 223.05 o 10 4 1 1804.20 1996.87 238.29 o 11 4 1 10679.16 12579.89 770.13 o 12 4 1 4208.58 4899.23 258.60 o 13 4 1 2898.64 3636.56 267.83 o 14 4 1 148.62 -68.63 315.63 o 15 4 1 2535.57 2689.84 356.99 o 16 4 1 474.93 -145.65 538.95 o 17 4 1 32.77 -290.85 420.08 o 18 4 1 279.73 670.27 284.90 o 19 4 1 3017.84 1048.27 811.03 o 20 4 1 509.60 291.65 343.37 o 21 4 1 637.14 -722.11 738.75 o 22 4 1 195.82 -808.30 1634.03 o 23 4 1 322.53 1441.37 795.94 o 0 5 1 14310.27 16658.71 526.19 o 1 5 1 72366.13 68951.64 2017.75 o 2 5 1 199916.06 207283.77 2415.66 o 3 5 1 63651.83 66937.44 840.97 o 4 5 1 914.25 770.82 123.44 o 5 5 1 1922.58 2106.33 154.51 o 6 5 1 17024.63 15428.76 314.93 o 7 5 1 50301.70 47121.72 706.43 o 8 5 1 9639.92 9456.96 261.38 o 9 5 1 15476.20 16387.46 356.64 o 10 5 1 10074.45 11573.16 303.85 o 11 5 1 45560.38 49514.33 853.72 o 12 5 1 3628.52 4362.55 452.24 o 13 5 1 17828.91 18985.93 774.47 o 14 5 1 4101.58 4355.60 653.68 o 15 5 1 2127.69 2380.90 398.53 o 16 5 1 432.03 757.69 392.28 o 17 5 1 19504.46 19385.81 527.90 o 18 5 1 8204.23 9251.05 531.45 o 19 5 1 4844.11 4260.42 675.24 o 20 5 1 2366.44 2594.28 524.37 o 21 5 1 16508.32 14698.83 776.62 o 22 5 1 706.99 485.97 963.32 o 23 5 1 2095.70 221.56 734.53 o 24 5 1 780.16 -671.92 671.92 o 1 6 1 58101.96 51933.50 1964.25 o 2 6 1 25679.37 22450.74 456.61 o 3 6 1 59175.30 62734.79 1050.16 o 4 6 1 13816.65 15732.19 561.02 o 5 6 1 111006.67 111024.94 2715.17 o 6 6 1 10887.83 9891.26 269.18 o 7 6 1 8200.28 9051.91 533.75 o 8 6 1 14177.97 11843.70 319.72 o 9 6 1 175060.39 188887.03 2504.54 o 10 6 1 9511.06 11162.45 328.86 o 11 6 1 53311.12 58679.46 909.75 o 12 6 1 13702.75 12862.15 533.93 o 13 6 1 15971.18 15901.48 403.83 o 14 6 1 2326.17 3457.07 460.23 o 15 6 1 34532.65 37823.84 789.42 o 16 6 1 7326.11 8359.07 420.78 o 17 6 1 81.77 75.22 733.28 o 18 6 1 1142.05 2050.64 338.42 o 19 6 1 52107.16 51456.37 1121.21 o 20 6 1 909.23 21.09 1006.29 o 21 6 1 5799.17 5455.65 871.53 o 22 6 1 5115.20 5021.31 883.85 o 23 6 1 9225.64 7202.02 1012.69 o 0 7 1 16878.41 18864.08 662.73 o 1 7 1 163491.55 149203.56 4316.70 o 2 7 1 71302.52 77818.43 4017.48 o 3 7 1 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