#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/52/2215226.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_2215226_Fobs loop_ _publ_author_name 'Bats, Jan W.' 'Hamzic, Melissa' 'Hashmi, A. Stephen K.' _publ_section_title ; (R)-(+)-[\m-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene-\k^2^P:P']bis[chloridogold(I)] dichloromethane solvate ; _journal_coeditor_code NC2053 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2344 _journal_volume 63 _journal_year 2007 _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 122.361 _cell_angle_gamma 90.000 _cell_length_a 19.4801 _cell_length_b 8.6889 _cell_length_c 14.0855 _exptl_crystal_F_000 1120.00 _reflns_d_resolution_high 0.7329 _[local]_cod_data_source_file nc2053Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' hm in C2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 450.90 _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -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 5 -11 0 1485.49 1987.33 1171.23 o 2 -10 0 3689.66 4526.62 1030.80 o 4 -10 0 3871.60 2547.43 729.42 o 6 -10 0 995.62 1176.69 689.75 o 8 -10 0 183.07 717.16 723.08 o 1 -9 0 7786.68 7553.08 584.55 o 3 -9 0 8848.79 8893.14 617.70 o 5 -9 0 5025.60 4961.30 678.91 o 7 -9 0 195.26 173.29 570.13 o 9 -9 0 416.53 843.66 672.38 o 11 -9 0 1097.94 1079.34 750.36 o 0 -8 0 6834.83 6514.85 405.84 o 2 -8 0 8674.92 8820.19 428.10 o 4 -8 0 10247.96 10034.74 607.06 o 6 -8 0 4194.98 4075.01 503.08 o 8 -8 0 83.84 278.83 478.51 o 10 -8 0 583.38 134.16 520.84 o 12 -8 0 1189.08 1321.87 709.33 o 14 -8 0 4186.36 5618.71 1349.49 o 1 -7 0 13376.89 12993.10 348.54 o 3 -7 0 13862.03 12943.11 457.07 o 5 -7 0 8082.62 7694.59 382.92 o 7 -7 0 640.60 570.01 332.29 o 9 -7 0 539.39 418.87 432.36 o 11 -7 0 922.41 951.33 541.71 o 13 -7 0 4208.84 4173.85 747.56 o 15 -7 0 6044.66 7018.94 930.40 o 0 -6 0 27022.04 26980.49 660.81 o 2 -6 0 17764.04 17584.78 448.25 o 4 -6 0 15469.26 15099.29 411.05 o 6 -6 0 4601.18 4787.63 305.19 o 8 -6 0 824.99 868.89 296.99 o 10 -6 0 956.11 1147.11 445.10 o 12 -6 0 1984.42 2769.15 577.72 o 14 -6 0 7675.37 8735.52 840.57 o 16 -6 0 6775.74 6917.97 871.41 o 18 -6 0 2046.56 3394.85 1255.26 o 1 -5 0 32118.87 33495.55 541.27 o 3 -5 0 20780.31 21129.99 480.67 o 5 -5 0 14002.08 14272.73 372.07 o 7 -5 0 2387.17 2513.17 237.70 o 9 -5 0 25.13 280.69 215.76 o 11 -5 0 4407.91 5366.42 479.38 o 13 -5 0 7081.55 7401.63 687.68 o 15 -5 0 7211.37 8295.83 823.98 o 17 -5 0 4553.48 4501.55 797.15 o 19 -5 0 1817.46 1868.46 872.81 o 0 -4 0 45820.63 48651.41 1050.63 o 2 -4 0 58935.96 61712.86 1039.01 o 4 -4 0 19887.70 20819.92 460.77 o 6 -4 0 7522.02 8057.94 281.24 o 8 -4 0 2237.33 2716.21 228.36 o 10 -4 0 3682.91 3812.95 304.18 o 12 -4 0 11167.51 10151.05 665.49 o 14 -4 0 7914.54 7821.85 667.94 o 16 -4 0 5786.50 7041.63 743.34 o 18 -4 0 4752.79 6210.03 858.10 o 20 -4 0 1448.35 1522.88 1252.70 o 1 -3 0 65308.45 67208.42 998.31 o 3 -3 0 54073.02 56628.38 1174.31 o 5 -3 0 7654.58 7817.12 218.51 o 7 -3 0 3064.37 3226.81 201.12 o 9 -3 0 2907.88 3147.98 229.51 o 11 -3 0 6629.69 6463.49 374.48 o 13 -3 0 9157.21 9274.51 465.15 o 15 -3 0 5833.45 5699.27 462.77 o 17 -3 0 6617.59 7394.98 735.09 o 19 -3 0 5025.22 5116.42 1268.02 o 0 -2 0 40803.50 40453.66 852.86 o 2 -2 0 131519.80 145130.09 2738.04 o 4 -2 0 41660.75 42835.51 835.98 o 6 -2 0 6558.50 6673.66 216.46 o 8 -2 0 2772.60 3247.35 178.39 o 10 -2 0 5158.53 5319.81 304.56 o 12 -2 0 17359.09 17452.04 572.63 o 14 -2 0 12193.13 11914.58 511.25 o 16 -2 0 3521.99 3098.62 443.62 o 18 -2 0 3603.98 4250.90 760.73 o 1 -1 0 85995.09 92589.52 1751.52 o 3 -1 0 22991.33 21432.63 517.42 o 5 -1 0 13136.23 12654.36 281.10 o 7 -1 0 7208.42 8169.39 243.83 o 9 -1 0 1342.63 1323.51 157.30 o 11 -1 0 12777.76 12195.95 402.70 o 13 -1 0 13081.16 12610.80 484.57 o 15 -1 0 7072.50 7280.05 438.07 o 17 -1 0 2971.94 3528.88 674.22 o 19 -1 0 3066.63 2854.52 821.68 o 2 0 0 87434.84 84579.41 1595.04 o 4 0 0 26002.84 26816.68 786.04 o 6 0 0 3734.79 4483.33 167.13 o 8 0 0 218.70 724.56 130.77 o 10 0 0 10038.25 9668.12 309.45 o 12 0 0 12546.57 11614.83 381.38 o 14 0 0 6043.66 6295.12 384.40 o 16 0 0 10130.18 9893.48 753.29 o 18 0 0 5144.69 5114.87 760.37 o 20 0 0 3067.03 2687.08 803.71 o 1 1 0 97661.88 105918.95 2155.99 o 3 1 0 30179.76 28649.13 766.23 o 5 1 0 10449.48 9581.26 280.30 o 7 1 0 6610.15 7412.75 230.94 o 9 1 0 1279.20 1477.62 159.10 o 11 1 0 10960.32 10082.96 333.41 o 13 1 0 14013.69 13369.68 427.06 o 15 1 0 7269.56 8158.37 686.43 o 17 1 0 3982.90 3318.76 673.94 o 19 1 0 3558.66 4181.60 802.64 o 21 1 0 1742.12 754.90 1051.23 o 2 2 0 119489.67 134472.12 2753.45 o 4 2 0 42465.36 42589.69 902.17 o 6 2 0 9054.72 9367.35 292.69 o 8 2 0 2987.57 3256.65 179.93 o 10 2 0 4144.51 4199.12 227.03 o 12 2 0 19193.32 18750.19 676.15 o 14 2 0 12208.22 12225.46 602.50 o 16 2 0 3732.82 3917.46 645.23 o 18 2 0 3220.72 3120.02 687.42 o 20 2 0 2336.48 1825.81 782.40 o 3 3 0 50272.87 53739.04 1137.01 o 5 3 0 5361.69 5341.34 198.05 o 7 3 0 4368.90 4432.91 224.91 o 9 3 0 2149.16 2243.05 197.33 o 11 3 0 7465.37 7559.47 435.13 o 13 3 0 9984.57 10566.15 536.67 o 15 3 0 5711.74 5686.78 511.03 o 17 3 0 6480.73 7254.13 772.12 o 19 3 0 5671.22 5328.55 855.68 o 2 4 0 56628.11 59983.73 1273.05 o 4 4 0 18881.13 20373.40 494.27 o 6 4 0 7859.25 8721.06 289.54 o 8 4 0 2417.02 2977.88 238.24 o 10 4 0 3255.91 3018.55 342.88 o 12 4 0 12240.92 10924.82 548.55 o 14 4 0 7773.59 7939.83 541.46 o 16 4 0 5373.48 6434.21 581.33 o 18 4 0 5486.11 5392.79 643.85 o 20 4 0 2061.80 2800.88 1359.24 o 3 5 0 16112.47 16096.44 429.76 o 5 5 0 13490.32 13560.75 387.67 o 7 5 0 3259.60 3218.92 322.85 o 9 5 0 42.79 89.97 309.61 o 11 5 0 5082.07 5125.86 434.43 o 13 5 0 7727.91 7536.55 539.76 o 15 5 0 7210.24 6923.43 600.92 o 17 5 0 4472.62 4743.34 633.19 o 19 5 0 2355.56 2370.79 858.62 o 2 6 0 19057.48 19510.34 523.06 o 4 6 0 13746.83 13761.80 419.48 o 6 6 0 5811.94 5600.48 398.65 o 8 6 0 959.35 892.05 282.99 o 10 6 0 711.32 816.86 325.19 o 12 6 0 2372.37 3260.57 468.09 o 14 6 0 8053.39 7748.29 622.21 o 16 6 0 6372.15 6412.56 691.30 o 18 6 0 2100.02 2215.96 1079.08 o 1 7 0 13864.35 14287.48 468.77 o 3 7 0 12689.66 12713.85 434.27 o 5 7 0 6880.31 6605.46 476.04 o 7 7 0 656.58 493.73 296.97 o 9 7 0 328.62 556.10 319.60 o 11 7 0 854.74 1281.60 426.92 o 13 7 0 4617.42 3749.91 571.92 o 15 7 0 6052.22 6408.36 713.29 o 0 8 0 9674.33 9746.09 438.84 o 2 8 0 8371.94 8640.51 464.72 o 4 8 0 9606.22 10025.45 523.13 o 6 8 0 4134.70 4025.39 430.00 o 8 8 0 114.28 48.61 315.46 o 10 8 0 663.97 471.41 431.67 o 12 8 0 1632.62 1419.72 514.67 o 14 8 0 3906.40 3445.92 828.01 o 1 9 0 8847.43 9514.55 353.69 o 3 9 0 8297.03 8831.95 560.33 o 5 9 0 5024.21 4654.62 484.53 o 7 9 0 88.07 238.14 399.02 o 9 9 0 304.01 711.20 473.62 o 11 9 0 1514.40 1500.93 618.22 o 13 9 0 1865.32 2894.19 1384.31 o 2 10 0 4693.28 5304.20 483.67 o 4 10 0 4112.65 4235.35 568.56 o 6 10 0 711.73 502.33 593.23 o 8 10 0 165.16 77.63 476.28 o 10 10 0 376.52 -513.43 985.31 o 3 11 0 5323.04 3343.09 1297.73 o 5 11 0 1554.81 1600.57 904.45 o 7 11 0 235.16 -808.21 1158.70 o -7 -11 1 3504.93 3567.31 1367.83 o -5 -11 1 5171.96 5105.74 1308.87 o 5 -11 1 2776.59 4323.30 1407.75 o -10 -10 1 2102.00 1780.99 1218.12 o -8 -10 1 3389.41 3045.23 853.14 o -6 -10 1 6276.97 5487.77 665.51 o -4 -10 1 5846.21 5285.69 779.38 o 4 -10 1 1454.72 1917.32 698.11 o 6 -10 1 5025.69 5377.04 906.26 o 8 -10 1 3673.91 2605.91 1107.86 o -13 -9 1 1250.05 1002.72 1078.85 o -11 -9 1 1246.68 690.57 668.47 o -9 -9 1 3410.83 3817.25 609.10 o -7 -9 1 10311.85 10478.31 720.22 o -5 -9 1 13026.94 12739.21 733.46 o -3 -9 1 5138.72 5227.23 537.15 o -1 -9 1 1625.07 845.18 427.70 o 1 -9 1 153.80 394.72 517.00 o 3 -9 1 486.68 493.44 515.69 o 5 -9 1 4867.60 4407.82 678.77 o 7 -9 1 9567.22 8782.27 860.31 o 9 -9 1 6338.11 6478.43 908.20 o 11 -9 1 2435.44 2409.31 1193.28 o -14 -8 1 430.29 392.68 675.31 o -12 -8 1 2469.71 2157.64 685.18 o -10 -8 1 1287.08 1461.56 477.66 o -8 -8 1 6711.31 6920.21 587.34 o -6 -8 1 17878.93 18390.03 800.48 o -4 -8 1 16064.50 15585.14 717.44 o -2 -8 1 4275.03 4229.56 345.67 o 0 -8 1 431.08 429.76 246.26 o 2 -8 1 702.52 963.61 346.14 o 4 -8 1 3185.47 3188.04 448.05 o 6 -8 1 9309.99 9675.32 1237.85 o 8 -8 1 8117.08 8128.22 793.91 o 10 -8 1 3500.50 3284.11 725.77 o 12 -8 1 1878.37 1523.08 716.85 o 14 -8 1 2020.91 3114.23 1303.53 o -17 -7 1 937.24 402.48 1002.95 o -15 -7 1 312.69 198.69 594.22 o -13 -7 1 1309.91 1568.43 628.79 o -11 -7 1 4474.91 4717.92 539.38 o -9 -7 1 6912.14 6277.59 528.28 o -7 -7 1 20103.26 20045.63 805.71 o -5 -7 1 25767.98 25222.11 905.78 o -3 -7 1 12495.73 12193.91 402.89 o -1 -7 1 2939.78 3012.53 234.92 o 1 -7 1 201.77 129.10 150.93 o 3 -7 1 3425.82 3457.66 343.45 o 5 -7 1 10181.37 9814.68 473.50 o 7 -7 1 19254.39 19357.46 803.68 o 9 -7 1 7336.93 7427.26 698.23 o 11 -7 1 5516.15 5624.00 751.72 o 13 -7 1 3152.95 3162.04 744.12 o 15 -7 1 1455.39 2089.77 847.34 o -18 -6 1 884.13 1590.24 804.71 o -16 -6 1 582.40 578.20 650.85 o -14 -6 1 1045.74 1773.58 610.33 o -12 -6 1 3101.05 3490.27 480.38 o -10 -6 1 6773.53 7438.21 517.80 o -8 -6 1 18529.24 18326.21 729.88 o -6 -6 1 23842.13 22846.33 606.17 o -4 -6 1 16429.65 16019.07 460.37 o -2 -6 1 13213.19 12995.42 317.78 o 0 -6 1 1758.52 2051.25 159.05 o 2 -6 1 2064.44 2159.77 209.48 o 4 -6 1 14058.26 14361.16 457.73 o 6 -6 1 13481.03 13143.35 508.55 o 8 -6 1 15155.60 14716.63 552.89 o 10 -6 1 7339.76 7383.11 657.01 o 12 -6 1 3492.20 3368.65 622.96 o 14 -6 1 3592.24 3021.95 732.88 o 16 -6 1 357.99 215.57 678.00 o 18 -6 1 47.94 -264.84 1109.95 o -19 -5 1 1426.77 1384.18 754.49 o -17 -5 1 927.57 1472.60 649.93 o -15 -5 1 397.51 98.73 454.13 o -13 -5 1 1254.09 1358.05 382.77 o -11 -5 1 11256.53 12208.15 602.04 o -9 -5 1 17829.40 17464.77 561.68 o -7 -5 1 24492.89 23723.96 603.88 o -5 -5 1 29217.94 28834.76 682.56 o -3 -5 1 19199.27 18428.80 375.23 o -1 -5 1 13163.70 14031.61 274.39 o 1 -5 1 143.84 508.34 117.91 o 3 -5 1 7503.74 7919.38 269.06 o 5 -5 1 21584.72 21254.85 501.77 o 7 -5 1 20745.16 19920.22 623.04 o 9 -5 1 15608.92 14890.02 539.99 o 11 -5 1 11505.62 10729.67 622.27 o 13 -5 1 4079.92 4449.37 633.86 o 15 -5 1 1988.72 1901.06 654.76 o 17 -5 1 84.57 776.32 701.87 o 19 -5 1 169.58 -673.59 969.29 o -20 -4 1 2572.37 2434.49 812.23 o -18 -4 1 1224.13 1264.09 617.86 o -16 -4 1 164.45 206.55 517.84 o -14 -4 1 1120.90 1208.03 460.80 o -12 -4 1 9808.68 9782.16 616.81 o -10 -4 1 16391.06 15371.43 458.99 o -8 -4 1 27947.56 27337.22 656.71 o -6 -4 1 42086.35 42501.23 940.63 o -4 -4 1 50862.93 52800.01 1042.07 o -2 -4 1 21065.36 22966.96 421.87 o 0 -4 1 879.29 1222.29 101.95 o 2 -4 1 4387.41 5124.32 176.30 o 4 -4 1 11562.34 11711.06 312.95 o 6 -4 1 24374.32 23577.02 571.95 o 8 -4 1 18982.00 18830.34 579.01 o 10 -4 1 21955.01 20982.63 652.94 o 12 -4 1 13773.55 13425.80 567.73 o 14 -4 1 4720.63 4935.71 555.46 o 16 -4 1 753.79 1316.35 643.39 o 18 -4 1 390.51 442.22 700.64 o -19 -3 1 2660.99 3292.65 722.19 o -17 -3 1 619.34 952.50 528.27 o -15 -3 1 102.91 233.45 329.27 o -13 -3 1 5648.73 4809.24 379.95 o -11 -3 1 10656.20 10239.43 412.17 o -9 -3 1 41376.06 38991.09 881.70 o -7 -3 1 40003.64 37160.13 822.59 o -5 -3 1 43753.38 44391.48 954.00 o -3 -3 1 32994.39 35130.02 598.93 o -1 -3 1 3546.57 3798.83 112.01 o 1 -3 1 1780.74 2591.58 107.32 o 3 -3 1 4215.39 4367.06 168.12 o 5 -3 1 7763.75 7448.17 243.71 o 7 -3 1 14628.33 13324.13 373.40 o 9 -3 1 29624.28 29123.30 792.14 o 11 -3 1 17862.85 17120.59 582.13 o 13 -3 1 10023.93 9812.53 491.35 o 15 -3 1 2099.86 1835.81 437.96 o 17 -3 1 654.60 -9.09 539.94 o -18 -2 1 2835.14 3117.31 642.88 o -16 -2 1 148.61 -210.95 332.42 o -14 -2 1 1940.65 1903.23 312.13 o -12 -2 1 9468.14 9791.83 410.39 o -10 -2 1 38205.89 37561.49 859.94 o -8 -2 1 47454.25 46394.13 1010.62 o -6 -2 1 21868.70 20106.77 468.32 o -4 -2 1 46087.63 46856.72 1252.51 o -2 -2 1 24747.36 25526.56 541.10 o 0 -2 1 14116.45 16039.29 290.65 o 2 -2 1 20693.25 26903.21 590.62 o 4 -2 1 21457.82 22206.83 726.52 o 6 -2 1 28130.13 26857.12 990.94 o 8 -2 1 44848.23 43404.84 958.14 o 10 -2 1 29663.62 27392.49 750.22 o 12 -2 1 15497.53 14852.99 541.56 o 14 -2 1 2785.98 3053.27 373.31 o 16 -2 1 70.36 284.45 338.32 o 18 -2 1 42.03 1549.11 934.48 o -19 -1 1 2260.45 1852.94 987.17 o -17 -1 1 102.18 510.02 328.15 o -15 -1 1 2250.21 1746.37 307.69 o -13 -1 1 6206.41 5611.65 347.36 o -11 -1 1 27758.17 26350.33 633.12 o -9 -1 1 43353.67 41153.37 831.35 o -7 -1 1 44657.56 43169.19 852.33 o -5 -1 1 11673.17 9805.71 250.42 o -3 -1 1 30136.99 29981.27 629.79 o -1 -1 1 22782.28 25337.57 535.96 o 1 -1 1 876.13 2266.33 86.88 o 3 -1 1 14215.91 16773.73 378.57 o 5 -1 1 15467.19 15694.04 439.98 o 7 -1 1 21057.63 19566.67 474.40 o 9 -1 1 33998.78 31454.59 727.48 o 11 -1 1 30234.04 28208.71 774.01 o 13 -1 1 10830.56 10395.71 454.11 o 15 -1 1 2418.46 2752.10 474.38 o 17 -1 1 70.77 184.62 592.49 o 19 -1 1 68.56 183.47 700.50 o -20 0 1 3823.92 3793.60 843.92 o -18 0 1 2063.10 2197.43 643.73 o -16 0 1 2303.36 1985.10 344.56 o -14 0 1 268.07 350.27 242.11 o -12 0 1 5520.20 5074.89 258.13 o -10 0 1 41655.52 40646.39 903.70 o -8 0 1 62797.73 60253.46 1281.86 o -6 0 1 80490.60 73489.99 1534.65 o -4 0 1 3151.40 2143.43 93.64 o -2 0 1 47741.60 46646.48 880.62 o 0 0 1 16273.60 18917.64 418.70 o 2 0 1 2760.51 3248.55 107.78 o 4 0 1 9010.07 10564.85 260.23 o 6 0 1 10727.59 10022.71 272.77 o 8 0 1 24401.37 22412.73 536.41 o 10 0 1 54215.67 51351.77 1131.78 o 12 0 1 24429.79 23250.31 604.47 o 14 0 1 5398.34 5683.81 625.04 o 16 0 1 741.65 1083.64 537.74 o 18 0 1 119.78 282.54 615.15 o 20 0 1 621.60 71.86 768.74 o -21 1 1 4581.88 4016.42 876.47 o -19 1 1 1916.46 2007.40 690.70 o -17 1 1 174.49 43.17 433.62 o -15 1 1 2187.06 2016.59 365.89 o -13 1 1 4849.11 4745.46 277.95 o -11 1 1 27843.15 26776.52 643.62 o -9 1 1 41842.72 39130.21 963.45 o -7 1 1 51184.61 49331.19 1167.28 o -5 1 1 12924.16 9735.14 225.23 o -3 1 1 29224.80 27627.98 587.56 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