#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/27/2012717.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_2012717_Fobs loop_ _publ_author_name 'Bruno, Giuseppe' 'Lanza, Santo' 'Nicol\'o, Francesco' 'Tresoldi, Giuseppe' 'Rosace, Giuseppe' _publ_section_title ; (\h^3^-Allyl-2\k^3^C)(chloro-1\kCl)(\m-N,N'-diethyldithioxamidato-1:2\k^4^S,S':N,N')[diphenyl(2-pyridyl)phosphine-1\kP]palladium(II)platinum(II) chloroform solvate ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m316 _journal_page_last m318 _journal_volume 58 _journal_year 2002 _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 106.830 _cell_angle_gamma 90.000 _cell_length_a 13.4230 _cell_length_b 13.5610 _cell_length_c 19.1560 _exptl_crystal_F_000 1808.00 _reflns_d_resolution_high 0.7809 _[local]_cod_data_source_file na1566IVsup2.hkl _[local]_cod_data_source_block IV #BEGIN Tags that were not found in dictionaries: _shelx_title ' LANZ14 in P2(1)/c (SPF+PSI)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 752.84 _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 17084.00 15861.28 161.15 o 3 0 0 33483.02 33354.42 274.40 o 4 0 0 33188.43 30677.24 306.34 o 5 0 0 5483.33 5418.24 198.90 o 6 0 0 13562.01 13738.70 293.27 o 7 0 0 8747.54 7999.60 286.01 o 8 0 0 79131.84 73236.29 723.01 o 9 0 0 29741.87 28654.84 529.92 o 10 0 0 4213.29 3360.99 358.60 o 11 0 0 14965.88 15521.55 577.83 o 12 0 0 3045.03 2993.68 432.65 o 13 0 0 617.62 858.03 429.74 o 14 0 0 1788.51 2182.11 497.98 o 15 0 0 13.01 -53.72 489.27 o 16 0 0 2557.07 2752.68 609.77 o 1 1 0 119145.59 115127.49 313.60 o 2 1 0 8083.04 8681.96 137.92 o 3 1 0 39389.70 36856.25 291.82 o 4 1 0 113263.07 106235.00 551.70 o 5 1 0 23567.73 22330.65 319.40 o 6 1 0 6162.56 5863.96 236.65 o 7 1 0 42295.88 41618.26 508.14 o 8 1 0 6858.85 7002.19 315.05 o 9 1 0 14593.25 14540.11 461.68 o 10 1 0 8744.82 8169.47 437.00 o 11 1 0 158.81 -39.20 352.80 o 12 1 0 8985.93 8506.29 524.11 o 13 1 0 3124.07 3358.09 480.56 o 14 1 0 188.27 66.78 452.97 o 15 1 0 2903.49 2754.13 572.02 o 16 1 0 787.12 770.92 557.50 o 0 2 0 28432.01 31767.57 193.09 o 1 2 0 20677.24 19859.63 177.12 o 2 2 0 28769.63 29952.78 245.36 o 3 2 0 24203.66 24871.36 264.23 o 4 2 0 650.21 682.36 150.99 o 5 2 0 26892.46 26845.85 349.89 o 6 2 0 8071.33 7953.14 254.07 o 7 2 0 2590.54 2813.65 243.91 o 8 2 0 30132.12 31268.14 511.05 o 9 2 0 8082.80 8311.75 410.87 o 10 2 0 4641.34 4613.93 384.74 o 11 2 0 10573.26 10830.68 516.85 o 12 2 0 1119.50 1480.87 400.71 o 13 2 0 1358.78 1695.74 445.71 o 14 2 0 2130.80 2401.33 493.62 o 15 2 0 18.68 50.81 489.27 o 16 2 0 1103.09 1139.69 595.25 o 1 3 0 77863.18 81436.24 394.90 o 2 3 0 25480.99 23978.48 255.52 o 3 3 0 235.01 351.34 143.73 o 4 3 0 2646.38 2160.33 172.77 o 5 3 0 1415.77 1191.96 184.38 o 6 3 0 11307.38 10945.37 296.17 o 7 3 0 11166.05 10591.13 325.21 o 8 3 0 78.95 101.63 239.55 o 9 3 0 10705.71 10097.50 431.19 o 10 3 0 11904.03 11052.81 499.43 o 11 3 0 96.99 8.71 354.25 o 12 3 0 1359.45 1205.02 415.22 o 13 3 0 1191.15 1421.34 468.94 o 14 3 0 564.23 550.24 468.94 o 15 3 0 1462.76 1470.71 528.47 o 16 3 0 41.49 262.78 525.56 o 0 4 0 2228.28 2128.39 130.67 o 1 4 0 13144.61 16397.01 227.94 o 2 4 0 15461.91 16755.61 251.17 o 3 4 0 24696.37 22891.06 306.34 o 4 4 0 1136.63 1019.19 171.32 o 5 4 0 20732.30 22031.57 355.70 o 6 4 0 23313.69 23132.06 396.35 o 7 4 0 1254.90 1328.43 239.55 o 8 4 0 545.40 413.77 261.33 o 9 4 0 96.63 8.71 291.82 o 10 4 0 130.10 370.22 322.31 o 11 4 0 3074.86 2894.96 416.68 o 12 4 0 366.28 243.91 402.16 o 13 4 0 2779.23 3406.00 502.33 o 14 4 0 3019.32 3236.14 551.70 o 15 4 0 1.52 -432.65 529.92 o 16 4 0 335.82 683.81 560.41 o 1 5 0 30826.72 32014.38 336.83 o 2 5 0 34788.23 36873.67 380.38 o 3 5 0 1297.01 1264.55 178.58 o 4 5 0 3666.35 3928.66 222.13 o 5 5 0 365.92 426.84 196.00 o 6 5 0 11269.53 11295.26 332.47 o 7 5 0 8145.51 7897.97 331.02 o 8 5 0 119.79 132.12 270.04 o 9 5 0 3294.34 2617.66 364.41 o 10 5 0 10700.15 11274.94 521.21 o 11 5 0 1017.56 769.47 407.97 o 12 5 0 867.07 648.97 419.58 o 13 5 0 967.51 956.76 458.78 o 14 5 0 389.32 618.48 487.82 o 15 5 0 674.95 397.80 551.70 o 0 6 0 10065.20 10596.93 241.00 o 1 6 0 3680.71 3802.35 194.55 o 2 6 0 6104.06 6864.27 238.10 o 3 6 0 17559.73 19146.78 344.08 o 4 6 0 1185.64 920.46 223.58 o 5 6 0 10639.75 9518.22 328.11 o 6 6 0 7894.04 8223.18 339.73 o 7 6 0 545.06 392.00 271.49 o 8 6 0 1026.45 1206.47 291.82 o 9 6 0 1132.30 1135.33 345.54 o 10 6 0 759.87 955.31 368.77 o 11 6 0 2287.48 2216.95 431.19 o 12 6 0 339.45 312.14 452.97 o 13 6 0 931.40 1457.64 492.17 o 14 6 0 1095.06 1714.62 541.53 o 15 6 0 15.85 -528.47 563.31 o 1 7 0 84.71 180.03 197.45 o 2 7 0 1845.39 2083.38 217.78 o 3 7 0 9463.49 9930.54 303.43 o 4 7 0 16404.40 16260.54 378.93 o 5 7 0 7178.54 7633.74 320.86 o 6 7 0 675.20 689.62 267.14 o 7 7 0 3103.32 2899.31 310.69 o 8 7 0 2.38 84.21 307.79 o 9 7 0 537.39 730.27 368.77 o 10 7 0 28.49 -90.01 390.54 o 11 7 0 140.05 -4.36 416.68 o 12 7 0 1747.03 1446.03 486.36 o 13 7 0 392.78 352.80 484.91 o 14 7 0 112.72 -162.61 518.30 o 15 7 0 267.26 -150.99 569.12 o 0 8 0 20956.72 21800.73 378.93 o 1 8 0 3302.00 2719.28 235.20 o 2 8 0 311.78 483.46 216.32 o 3 8 0 13.16 -30.49 226.49 o 4 8 0 260.41 187.29 262.78 o 5 8 0 22.03 68.24 271.49 o 6 8 0 346.63 380.38 294.72 o 7 8 0 1995.21 2192.27 333.92 o 8 8 0 4336.68 3918.50 384.74 o 9 8 0 1069.19 1418.44 386.19 o 10 8 0 237.78 425.39 406.51 o 11 8 0 361.73 561.86 428.29 o 12 8 0 21.51 -17.42 470.39 o 13 8 0 2.04 -457.33 499.43 o 14 8 0 20.80 -146.64 525.56 o 1 9 0 334.05 538.63 230.84 o 2 9 0 5363.71 4846.22 294.72 o 3 9 0 7592.93 8821.34 358.60 o 4 9 0 6258.11 6434.53 352.80 o 5 9 0 1220.63 823.19 287.46 o 6 9 0 743.14 1358.92 317.95 o 7 9 0 17.04 184.38 310.69 o 8 9 0 1050.68 956.76 346.99 o 9 9 0 294.92 133.57 394.90 o 10 9 0 1236.36 1009.02 435.55 o 11 9 0 1097.60 811.58 493.62 o 12 9 0 263.30 -103.08 473.30 o 13 9 0 10.34 -40.65 537.18 o 14 9 0 6.60 -177.12 570.57 o 0 10 0 181.22 75.50 243.91 o 1 10 0 85.57 56.62 252.62 o 2 10 0 82.14 220.68 270.04 o 3 10 0 416.17 511.05 280.20 o 4 10 0 45.03 31.94 280.20 o 5 10 0 929.02 1011.93 313.60 o 6 10 0 78.88 184.38 328.11 o 7 10 0 480.51 272.94 362.96 o 8 10 0 10.19 1.45 357.15 o 9 10 0 533.46 287.46 452.97 o 10 10 0 64.68 123.41 447.16 o 11 10 0 85.02 407.97 466.04 o 12 10 0 210.34 294.72 519.76 o 13 10 0 3.32 -100.18 544.44 o 1 11 0 80.47 -40.65 274.40 o 2 11 0 1581.86 1573.79 313.60 o 3 11 0 195.13 124.86 319.40 o 4 11 0 2660.91 2818.01 358.60 o 5 11 0 229.99 162.61 329.57 o 6 11 0 573.46 525.56 342.63 o 7 11 0 159.74 -2.90 367.31 o 8 11 0 14.27 450.07 376.02 o 9 11 0 5.79 -242.46 438.45 o 10 11 0 154.13 58.07 457.33 o 11 11 0 66.11 -110.34 509.59 o 12 11 0 279.85 277.30 551.70 o 0 12 0 14395.00 15337.17 484.91 o 1 12 0 4782.79 5066.90 393.45 o 2 12 0 36.87 72.59 336.83 o 3 12 0 942.93 1279.07 336.83 o 4 12 0 301.76 450.07 328.11 o 5 12 0 32.82 68.24 364.41 o 6 12 0 124.06 59.53 378.93 o 7 12 0 1516.85 1443.12 431.19 o 8 12 0 2679.30 2685.89 477.65 o 9 12 0 1046.79 1154.21 515.40 o 10 12 0 6.99 -288.91 508.14 o 11 12 0 520.31 -63.88 545.89 o 1 13 0 2873.43 2797.68 402.16 o 2 13 0 218.01 255.52 365.86 o 3 13 0 1701.48 1787.21 405.06 o 4 13 0 7747.97 7542.27 511.05 o 5 13 0 2922.52 3141.77 474.75 o 6 13 0 255.91 196.00 428.29 o 7 13 0 1913.13 1930.94 479.11 o 8 13 0 534.37 979.99 477.65 o 9 13 0 465.35 489.27 535.73 o 10 13 0 313.73 299.08 544.44 o 0 14 0 13053.98 13438.17 561.86 o 1 14 0 2807.00 2578.46 444.26 o 2 14 0 1307.68 1665.25 418.13 o 3 14 0 3387.81 3625.23 483.46 o 4 14 0 342.25 389.09 431.19 o 5 14 0 1097.24 953.85 471.85 o 6 14 0 1104.32 1052.58 471.85 o 7 14 0 122.95 52.27 480.56 o 8 14 0 4625.12 4075.30 573.47 o 9 14 0 1390.51 1271.81 605.41 o 1 15 0 5954.09 6025.11 550.24 o 2 15 0 1861.35 1901.90 473.30 o 3 15 0 69.97 265.69 425.39 o 4 15 0 1107.23 1160.01 474.75 o 5 15 0 469.84 756.41 470.39 o 6 15 0 335.45 524.11 482.01 o 7 15 0 2678.44 2004.98 570.57 o 8 15 0 346.44 471.85 548.79 o 0 16 0 2151.77 2025.31 479.11 o 1 16 0 16.71 121.95 426.84 o 2 16 0 2334.44 2026.76 493.62 o 3 16 0 1657.04 1443.12 513.95 o 4 16 0 6.67 15.97 489.27 o 5 16 0 1309.49 1306.65 527.02 o 6 16 0 2071.44 1808.98 572.02 o 1 17 0 1663.97 1546.20 532.82 o 2 17 0 1262.46 1694.29 534.27 o 3 17 0 5.31 -101.63 490.72 o -16 1 1 22.27 94.37 513.95 o -15 1 1 172.12 -296.17 495.08 o -14 1 1 402.46 479.11 463.13 o -13 1 1 561.44 457.33 413.77 o -12 1 1 77.26 5.81 384.74 o -11 1 1 11.16 148.09 333.92 o -10 1 1 339.03 390.54 306.34 o -9 1 1 501.61 306.34 286.01 o -8 1 1 417.84 595.25 226.49 o -7 1 1 8752.71 9371.59 291.82 o -6 1 1 5773.83 4616.83 222.13 o -5 1 1 25708.41 24427.10 319.40 o -4 1 1 35083.08 32873.87 317.95 o -3 1 1 326.33 336.83 110.34 o -2 1 1 18120.68 17676.07 172.77 o -1 1 1 17.85 204.71 49.36 o 0 1 1 8276.44 7211.96 4041.90 o 1 1 1 52333.61 51663.50 230.84 o 2 1 1 12621.01 14365.89 172.77 o 3 1 1 26967.97 24400.97 256.97 o 4 1 1 5819.48 6087.54 197.45 o 5 1 1 14.43 33.39 158.25 o 6 1 1 9718.49 9402.07 267.14 o 7 1 1 3035.13 2405.69 233.75 o 8 1 1 310.04 534.27 238.10 o 9 1 1 2.94 197.45 294.72 o 10 1 1 533.43 621.38 338.28 o 11 1 1 888.23 232.29 364.41 o 12 1 1 189.62 394.90 406.51 o 13 1 1 5.00 150.99 410.87 o 14 1 1 529.82 120.50 479.11 o 15 1 1 440.57 348.44 529.92 o 16 1 1 3.18 -287.46 538.63 o -16 2 1 107.51 -316.50 512.50 o -15 2 1 14.08 -31.94 480.56 o -14 2 1 18.79 220.68 450.07 o -13 2 1 32.65 -139.38 415.22 o -12 2 1 689.65 810.12 383.28 o -11 2 1 370.80 336.83 361.51 o -10 2 1 4510.53 4914.46 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3 1 589.64 756.41 339.73 o -9 3 1 1977.30 2147.26 320.86 o -8 3 1 2495.52 2514.58 259.88 o -7 3 1 4794.23 5207.73 270.04 o -6 3 1 16041.12 16167.62 331.02 o -5 3 1 18085.73 18031.77 312.14 o -4 3 1 12223.42 12127.17 245.36 o -3 3 1 10658.47 9900.05 209.06 o -2 3 1 164.80 225.03 117.60 o -1 3 1 12139.77 12825.50 187.29 o 0 3 1 14039.03 15019.13 129.05 o 1 3 1 15106.95 15533.17 194.55 o 2 3 1 32903.62 34337.31 299.08 o 3 3 1 15790.56 14977.12 248.26 o 4 3 1 5579.03 5821.85 203.26 o 5 3 1 1373.53 1374.89 184.38 o 6 3 1 17024.07 16128.42 344.08 o 7 3 1 6737.09 6536.15 284.56 o 8 3 1 517.03 259.88 241.00 o 9 3 1 1090.07 1215.18 316.50 o 10 3 1 3495.93 2816.56 386.19 o 11 3 1 1586.30 2231.47 400.71 o 12 3 1 10.94 4.36 390.54 o 13 3 1 297.49 261.33 442.81 o 14 3 1 1267.46 1284.87 492.17 o 15 3 1 521.90 409.42 538.63 o -16 4 1 234.70 834.80 548.79 o -15 4 1 673.44 750.60 518.30 o -14 4 1 114.01 -178.58 479.11 o -13 4 1 397.32 779.63 439.91 o -12 4 1 1739.29 1376.34 429.74 o -11 4 1 290.66 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717.21 349.89 o -9 5 1 2124.00 2179.20 348.44 o -8 5 1 12309.49 12697.74 406.51 o -7 5 1 469.33 586.54 242.46 o -6 5 1 7389.48 8201.41 299.08 o -5 5 1 8008.72 7356.44 270.04 o -4 5 1 2940.56 2421.66 206.16 o -3 5 1 27519.14 28710.01 362.96 o -2 5 1 23242.52 24036.55 323.76 o -1 5 1 23043.01 23458.73 307.79 o 0 5 1 49246.20 50383.54 282.59 o 1 5 1 9504.35 8705.19 210.52 o 2 5 1 15292.14 16546.55 274.40 o 3 5 1 8943.29 10264.46 254.07 o 4 5 1 89.32 21.78 177.12 o 5 5 1 8626.34 8455.48 280.20 o 6 5 1 7852.77 8069.29 310.69 o 7 5 1 2972.45 2424.56 278.75 o 8 5 1 15870.68 15822.08 448.62 o 9 5 1 4868.42 4236.45 399.25 o 10 5 1 568.44 775.28 377.48 o 11 5 1 4921.82 5695.54 493.62 o 12 5 1 846.47 519.76 452.97 o 13 5 1 1022.86 872.55 479.11 o 14 5 1 990.61 557.50 509.59 o 15 5 1 1.38 140.83 519.76 o -15 6 1 3198.10 3337.77 631.55 o -14 6 1 648.24 545.89 544.44 o -13 6 1 2329.56 2870.27 528.47 o -12 6 1 4333.69 6115.12 527.02 o -11 6 1 422.14 464.59 396.35 o -10 6 1 1832.99 2187.91 386.19 o -9 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