#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/20/2202028.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_2202028_Fobs loop_ _publ_author_name 'Wu, Mei-Mei' 'Zhang, Li-Yi' 'Qin, Yong-Hai' 'Chen, Zhong-Ning' _publ_section_title ; (4,4'-Dimethyl-2,2'-bipyridine)(ethynylbenzene)(triphenylphosphine)platinum(II) hexafluoroantimonate ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m210 _journal_page_last m211 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 98.915 _cell_angle_gamma 90.000 _cell_length_a 14.4131 _cell_length_b 10.1848 _cell_length_c 24.7099 _exptl_crystal_F_000 1888.00 _reflns_d_resolution_high 0.8384 _[local]_cod_data_source_file lh6047Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' w in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 455.11 _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+1/2, -z+1/2' '-x, -y, -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 59916.55 62724.61 1581.57 o 4 0 0 858.54 1321.54 68.51 o 6 0 0 10497.02 9675.85 284.21 o 8 0 0 93587.84 94903.37 2427.90 o 10 0 0 14095.04 14780.11 446.82 o 12 0 0 252.34 193.10 108.99 o 14 0 0 2201.10 2045.39 186.96 o 16 0 0 4328.56 4131.77 267.22 o 1 1 0 23476.22 25104.47 367.51 o 2 1 0 1226.24 1594.41 42.12 o 3 1 0 32211.69 34521.23 509.19 o 4 1 0 133.79 227.72 42.36 o 5 1 0 66509.27 67038.09 984.57 o 6 1 0 2550.56 2789.85 121.08 o 7 1 0 1078.39 1426.24 84.90 o 8 1 0 520.06 255.76 77.01 o 9 1 0 7352.19 7345.95 243.65 o 10 1 0 1523.57 1492.38 92.89 o 11 1 0 2267.26 1982.39 103.50 o 12 1 0 692.60 642.24 129.40 o 13 1 0 8183.07 8187.15 557.65 o 14 1 0 539.35 759.41 223.59 o 15 1 0 9.35 306.33 102.49 o 16 1 0 176.85 163.44 136.15 o 0 2 0 21385.51 23399.71 596.11 o 1 2 0 26.98 22.74 17.33 o 2 2 0 25008.71 27194.19 403.08 o 3 2 0 431.86 494.71 29.71 o 4 2 0 85884.66 86285.84 1261.34 o 5 2 0 368.93 293.97 29.19 o 6 2 0 32257.48 32777.36 495.57 o 7 2 0 4509.98 4190.89 90.77 o 8 2 0 4427.99 4189.41 176.01 o 9 2 0 1729.38 1523.16 83.43 o 10 2 0 560.51 537.66 100.23 o 11 2 0 2292.87 2443.05 199.67 o 12 2 0 5249.47 5139.00 173.28 o 13 2 0 364.98 360.96 127.21 o 14 2 0 4070.99 4149.47 481.69 o 15 2 0 23.34 114.00 107.50 o 16 2 0 922.10 1246.58 158.94 o 1 3 0 70111.00 70255.09 1026.18 o 2 3 0 25.69 168.85 59.38 o 3 3 0 3061.94 3496.72 68.76 o 4 3 0 10.69 -32.53 32.53 o 5 3 0 31230.90 34393.26 518.00 o 6 3 0 6.30 111.78 33.35 o 7 3 0 13794.42 14252.02 236.36 o 8 3 0 667.38 874.14 53.65 o 9 3 0 39587.40 40766.45 623.44 o 10 3 0 1146.41 1115.42 93.12 o 11 3 0 339.68 318.57 77.49 o 12 3 0 458.88 278.22 99.26 o 13 3 0 3845.67 4007.34 160.52 o 14 3 0 41.88 53.10 406.26 o 15 3 0 442.87 556.81 120.68 o 16 3 0 4.98 116.60 232.96 o 0 4 0 45082.85 44526.59 1134.75 o 1 4 0 2082.21 1917.75 46.91 o 2 4 0 182.92 242.35 28.54 o 3 4 0 6618.49 7290.24 138.87 o 4 4 0 41780.51 42608.95 636.65 o 5 4 0 314.50 256.26 35.26 o 6 4 0 5334.06 5691.28 121.54 o 7 4 0 2645.23 2892.16 156.14 o 8 4 0 14262.57 14029.36 240.01 o 9 4 0 4.33 41.32 51.68 o 10 4 0 976.46 1068.58 100.42 o 11 4 0 746.54 580.84 185.74 o 12 4 0 5611.95 5167.58 170.27 o 13 4 0 338.40 308.79 94.90 o 14 4 0 2505.56 2318.38 220.96 o 15 4 0 176.21 -114.25 132.29 o 16 4 0 1923.64 2011.39 257.40 o 1 5 0 7558.50 7555.14 291.09 o 2 5 0 1034.44 1277.18 47.67 o 3 5 0 22311.35 22007.39 341.25 o 4 5 0 2076.40 2038.45 94.64 o 5 5 0 50273.35 50312.09 753.67 o 6 5 0 325.89 205.66 53.39 o 7 5 0 258.76 260.73 56.91 o 8 5 0 117.93 -76.57 76.57 o 9 5 0 4687.39 4516.37 123.07 o 10 5 0 17.87 180.38 59.36 o 11 5 0 1734.52 1828.14 117.72 o 12 5 0 37.77 -39.60 112.14 o 13 5 0 8030.58 8513.06 372.70 o 14 5 0 200.53 -129.32 129.32 o 15 5 0 123.79 -152.62 152.62 o 0 6 0 74824.77 76020.39 1376.38 o 1 6 0 337.07 215.38 63.91 o 2 6 0 1455.44 1489.33 67.91 o 3 6 0 796.94 1015.52 121.57 o 4 6 0 7837.73 7529.44 328.20 o 5 6 0 244.97 126.26 46.52 o 6 6 0 868.94 925.57 57.64 o 7 6 0 207.88 320.24 67.07 o 8 6 0 22238.64 22954.40 466.13 o 9 6 0 79.48 180.86 70.91 o 10 6 0 5813.91 5695.47 193.88 o 11 6 0 933.00 602.18 213.77 o 12 6 0 1394.44 1309.80 195.90 o 13 6 0 212.09 -17.70 127.21 o 14 6 0 805.20 1100.05 188.37 o 1 7 0 10042.84 10551.31 234.73 o 2 7 0 93.27 29.77 74.92 o 3 7 0 4448.29 4547.31 112.32 o 4 7 0 1018.88 992.07 114.89 o 5 7 0 10155.15 10372.62 195.78 o 6 7 0 1610.69 1596.45 120.97 o 7 7 0 4445.81 3960.30 111.81 o 8 7 0 303.51 267.49 83.70 o 9 7 0 8234.41 8631.23 343.96 o 10 7 0 94.17 326.99 89.46 o 11 7 0 430.11 564.53 106.62 o 12 7 0 72.76 245.84 170.49 o 13 7 0 3056.06 2949.01 242.33 o 0 8 0 4309.57 4445.07 214.65 o 1 8 0 3.82 191.33 209.92 o 2 8 0 4091.76 4102.07 114.95 o 3 8 0 193.28 34.45 82.00 o 4 8 0 15067.06 15410.17 511.79 o 5 8 0 320.26 225.34 66.35 o 6 8 0 6557.69 7075.82 223.86 o 7 8 0 403.98 -14.48 110.92 o 8 8 0 4611.93 4220.08 270.02 o 9 8 0 39.99 269.80 96.26 o 10 8 0 50.28 -84.24 84.24 o 11 8 0 179.78 632.08 197.30 o 12 8 0 3556.68 3636.56 358.60 o 1 9 0 6009.55 5580.27 189.42 o 2 9 0 81.55 357.33 208.25 o 3 9 0 370.24 273.24 92.37 o 4 9 0 182.86 179.90 138.43 o 5 9 0 3935.21 4096.68 265.46 o 6 9 0 0.51 -83.59 83.59 o 7 9 0 2505.92 2397.27 145.75 o 8 9 0 36.32 187.78 101.78 o 9 9 0 5936.47 6514.85 224.74 o 10 9 0 149.83 496.80 334.59 o 11 9 0 45.59 241.51 133.63 o 0 10 0 7701.20 7941.13 337.83 o 1 10 0 130.00 -83.60 83.60 o 2 10 0 114.62 185.78 98.42 o 3 10 0 63.25 18.24 88.85 o 4 10 0 3375.58 3252.00 165.72 o 5 10 0 92.13 -80.60 80.60 o 6 10 0 122.90 498.86 151.74 o 7 10 0 21.52 40.83 124.06 o 8 10 0 4702.52 5265.29 299.98 o 9 10 0 28.08 420.71 200.28 o 1 11 0 397.04 489.75 132.49 o 2 11 0 1.17 -85.33 85.33 o 3 11 0 1876.69 2207.28 155.08 o 4 11 0 33.55 272.19 111.74 o 5 11 0 3787.64 3447.56 178.64 o 6 11 0 4.39 -130.72 130.72 o 7 11 0 184.13 213.77 161.56 o 0 12 0 2235.12 2469.78 254.42 o 1 12 0 158.17 11.90 109.52 o 2 12 0 8.29 -205.01 205.01 o -17 0 1 2654.25 2798.15 270.02 o -15 0 1 1607.63 1878.75 229.37 o -13 0 1 6627.43 7196.61 299.11 o -11 0 1 180.21 345.89 117.58 o -9 0 1 11851.70 11339.77 351.50 o -7 0 1 7355.21 7162.61 234.45 o -5 0 1 102047.15 101688.91 2574.91 o -3 0 1 52528.01 57357.69 1454.53 o -1 0 1 73710.98 18923.97 480.11 o 1 0 1 20659.25 15469.26 395.30 o 3 0 1 121996.31 121393.85 3056.60 o 5 0 1 81909.61 83667.16 2127.39 o 7 0 1 382.83 580.52 84.28 o 9 0 1 1059.44 932.72 103.03 o 11 0 1 7636.08 6991.25 262.31 o 13 0 1 13921.41 13739.46 450.68 o 15 0 1 87.17 -32.59 127.39 o -16 1 1 274.24 273.18 196.25 o -15 1 1 894.36 1247.62 140.04 o -14 1 1 4509.80 4602.17 186.61 o -13 1 1 2735.39 2656.45 134.84 o -12 1 1 1294.62 1230.62 111.92 o -11 1 1 2512.44 2418.78 111.52 o -10 1 1 15770.21 16188.91 486.07 o -9 1 1 5905.31 5463.54 160.50 o -8 1 1 9925.36 9816.34 217.00 o -7 1 1 9765.36 9823.35 209.89 o -6 1 1 11767.91 11787.04 238.22 o -5 1 1 2933.32 2581.32 115.38 o -4 1 1 4072.18 4527.97 101.36 o -3 1 1 24672.35 25684.96 381.81 o -2 1 1 76754.03 81439.70 1183.53 o -1 1 1 10470.80 10971.72 202.02 o 0 1 1 160840.84 150703.14 2179.57 o 1 1 1 42645.91 44734.89 650.91 o 2 1 1 21866.94 22484.82 332.83 o 3 1 1 25943.48 26590.85 395.02 o 4 1 1 42283.05 43666.49 644.30 o 5 1 1 5051.39 4830.11 109.34 o 6 1 1 9306.31 8648.28 147.45 o 7 1 1 5.00 -59.31 113.72 o 8 1 1 53722.86 54035.74 995.78 o 9 1 1 963.20 943.14 82.35 o 10 1 1 1321.22 1347.66 237.69 o 11 1 1 211.11 -7.34 59.00 o 12 1 1 4946.12 5078.60 299.28 o 13 1 1 46.75 -50.76 81.15 o 14 1 1 177.06 516.61 113.33 o 15 1 1 2.23 269.49 149.29 o 16 1 1 4008.74 4211.33 202.14 o -16 2 1 7.12 78.48 110.52 o -15 2 1 2216.63 2189.63 280.27 o -14 2 1 420.92 676.04 114.86 o -13 2 1 5390.70 5280.35 185.03 o -12 2 1 161.34 99.93 93.39 o -11 2 1 1088.99 1332.46 121.69 o -10 2 1 3964.01 3913.79 146.14 o -9 2 1 18392.54 18285.68 371.87 o -8 2 1 7775.61 7808.00 182.02 o -7 2 1 3465.57 3052.42 95.35 o -6 2 1 15123.39 14918.58 238.80 o -5 2 1 46371.03 48544.71 719.31 o -4 2 1 6089.32 6036.22 132.93 o -3 2 1 1249.03 1307.27 50.33 o -2 2 1 42664.79 42529.52 623.69 o -1 2 1 207125.44 202454.75 2930.72 o 0 2 1 8816.69 9407.13 237.75 o 1 2 1 17596.10 18544.34 276.43 o 2 2 1 39321.03 40882.45 736.01 o 3 2 1 65986.60 68241.54 998.50 o 4 2 1 301.89 304.46 26.03 o 5 2 1 6603.90 7310.05 126.13 o 6 2 1 148.00 219.94 32.33 o 7 2 1 41012.68 41982.22 631.92 o 8 2 1 1205.92 1160.03 55.57 o 9 2 1 18432.01 19105.23 387.95 o 10 2 1 610.38 547.48 75.45 o 11 2 1 685.16 549.43 210.36 o 12 2 1 0.24 -20.68 68.32 o 13 2 1 825.47 632.63 129.84 o 14 2 1 157.75 161.01 103.33 o 15 2 1 3118.97 3474.11 293.24 o 16 2 1 25.49 132.51 277.55 o -16 3 1 361.37 -159.10 159.10 o -15 3 1 5.68 61.05 257.40 o -14 3 1 8515.06 8203.96 608.90 o -13 3 1 40.86 167.57 86.22 o -12 3 1 3876.28 3857.68 148.17 o -11 3 1 107.35 18.83 140.97 o -10 3 1 8854.60 8890.65 492.20 o -9 3 1 301.17 36.31 195.55 o -8 3 1 2146.61 1907.26 69.46 o -7 3 1 242.66 314.83 80.34 o -6 3 1 40665.42 39617.83 596.26 o -5 3 1 5334.81 5899.99 108.38 o -4 3 1 30215.02 29054.56 437.47 o -3 3 1 1369.62 1592.51 76.71 o -2 3 1 7534.46 7723.52 125.59 o -1 3 1 555.66 629.36 76.31 o 0 3 1 10822.23 11238.40 174.27 o 1 3 1 1.89 84.53 33.06 o 2 3 1 18869.43 18677.28 284.47 o 3 3 1 1714.19 1900.06 102.94 o 4 3 1 106088.89 104361.26 1524.87 o 5 3 1 1407.83 1349.07 110.52 o 6 3 1 2203.29 2299.66 155.83 o 7 3 1 3829.07 3625.48 86.45 o 8 3 1 5319.74 5104.06 126.83 o 9 3 1 1232.65 1285.90 67.95 o 10 3 1 622.36 702.36 103.91 o 11 3 1 115.03 -5.33 72.87 o 12 3 1 12246.33 12574.58 295.19 o 13 3 1 0.62 -5.19 192.66 o 14 3 1 1435.31 1165.36 174.52 o 15 3 1 15.24 127.16 112.28 o 16 3 1 1093.36 1247.03 259.59 o -16 4 1 88.82 -119.50 119.50 o -15 4 1 1524.43 1110.04 194.32 o -14 4 1 982.38 807.78 190.47 o -13 4 1 3179.79 3044.16 217.98 o -12 4 1 1427.20 1207.02 106.56 o -11 4 1 745.43 609.14 84.38 o -10 4 1 604.96 706.79 144.56 o -9 4 1 12254.15 12406.14 219.91 o -8 4 1 1618.34 1761.45 71.99 o -7 4 1 3703.83 3543.25 88.55 o -6 4 1 2650.59 3112.76 77.70 o -5 4 1 32692.69 32159.31 699.80 o -4 4 1 38.10 34.66 33.67 o -3 4 1 106.88 108.11 25.86 o -2 4 1 233.64 113.69 41.96 o -1 4 1 60406.77 60382.59 887.14 o 0 4 1 2947.86 2889.55 59.56 o 1 4 1 2249.48 2270.76 99.54 o 2 4 1 4783.52 4837.16 95.07 o 3 4 1 33406.00 34091.03 570.76 o 4 4 1 282.59 189.80 52.96 o 5 4 1 3464.83 3022.58 111.02 o 6 4 1 1574.63 1401.64 56.01 o 7 4 1 21862.05 22281.15 353.64 o 8 4 1 350.50 414.83 54.09 o 9 4 1 7432.69 7378.91 201.82 o 10 4 1 23.86 -95.28 120.73 o 11 4 1 3913.12 3523.52 145.99 o 12 4 1 10.50 -66.45 166.73 o 13 4 1 3470.55 3142.10 307.34 o 14 4 1 0.00 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1.99 110.74 162.78 o -13 6 1 3113.37 2468.37 229.19 o -12 6 1 37.40 -105.84 134.57 o -11 6 1 392.24 559.37 111.27 o -10 6 1 574.37 540.01 93.98 o -9 6 1 10655.28 10375.43 252.66 o -8 6 1 1439.81 1197.72 94.87 o -7 6 1 3038.53 3209.63 121.97 o -6 6 1 1681.31 1637.06 86.38 o -5 6 1 25914.29 25374.26 397.13 o -4 6 1 4438.50 4349.05 96.79 o -3 6 1 2872.52 2991.94 75.15 o -2 6 1 157.28 223.54 37.99 o -1 6 1 14004.58 13971.36 226.96 o 0 6 1 58.29 -65.57 78.58 o 1 6 1 909.77 913.23 56.27 o 2 6 1 310.33 223.52 51.93 o 3 6 1 47903.21 50145.57 581.49 o 4 6 1 53.31 -28.83 28.83 o 5 6 1 17528.78 18680.12 262.44 o 6 6 1 159.00 134.97 45.26 o 7 6 1 3079.35 2918.05 129.62 o 8 6 1 698.00 514.44 82.87 o 9 6 1 188.62 72.77 136.15 o 10 6 1 18.57 -100.32 276.33 o 11 6 1 9156.71 8703.28 275.28 o 12 6 1 22.56 -8.06 134.92 o 13 6 1 4747.71 4875.25 281.76 o 14 6 1 12.60 -137.55 137.55 o -13 7 1 830.64 790.26 201.16 o -12 7 1 555.68 800.27 119.26 o -11 7 1 904.39 1250.45 129.95 o -10 7 1 8480.44 8520.64 262.48 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o -2 8 1 2.04 -94.42 100.68 o -1 8 1 22064.32 21973.70 451.41 o 0 8 1 1.85 -183.90 183.90 o 1 8 1 3250.09 3244.46 129.58 o 2 8 1 15.48 25.85 122.48 o 3 8 1 2689.95 2680.38 157.77 o 4 8 1 11.25 -60.64 61.66 o 5 8 1 428.00 460.57 72.44 o 6 8 1 57.40 3.18 58.23 o 7 8 1 16399.94 17137.35 504.64 o 8 8 1 450.66 303.15 94.01 o 9 8 1 4351.42 4754.69 305.24 o 10 8 1 60.34 79.21 165.59 o 11 8 1 1141.78 1212.71 128.33 o 12 8 1 23.74 296.65 186.96 o -11 9 1 25.64 330.76 145.35 o -10 9 1 3474.79 3492.83 228.14 o -9 9 1 229.73 379.44 122.50 o -8 9 1 1293.45 1138.33 156.30 o -7 9 1 403.35 355.05 103.68 o -6 9 1 7952.60 7288.52 192.77 o -5 9 1 1174.57 1419.07 97.50 o -4 9 1 4815.75 4995.58 169.81 o -3 9 1 262.95 309.32 243.39 o -2 9 1 272.07 149.01 239.88 o -1 9 1 10.04 -31.88 108.38 o 0 9 1 3517.63 3406.46 142.21 o 1 9 1 227.03 165.41 86.04 o 2 9 1 3453.66 3521.20 149.15 o 3 9 1 961.38 955.39 182.58 o 4 9 1 7277.99 6864.25 263.19 o 5 9 1 23.47 131.25 83.72 o 6 9 1 40.65 35.92 106.89 o 7 9 1 211.30 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