#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/89/2218961.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_2218961_Fobs loop_ _publ_author_name 'Lu, Hong Bo' 'Lv, Guo Qiang' 'Zuo, Jin Lin' 'Yang, Jia Xiang' _publ_section_title ; Chlorido[6-phenyl-4-(p-tolyl)-2,2'-bipyridyl-\k^2^N,N']platinum(II) ; _journal_coeditor_code CV2424 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1013 _journal_volume 64 _journal_year 2008 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 102.551 _cell_angle_gamma 90.000 _cell_length_a 7.3790 _cell_length_b 18.0660 _cell_length_c 14.2220 _exptl_crystal_F_000 1056.00 _reflns_d_resolution_high 0.7688 _[local]_cod_data_source_file cv2424Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' J3a in P2(1)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 410.43 _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' 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 1 -23 0 722.83 698.27 122.07 o 0 -22 0 250.24 159.38 128.35 o 1 -22 0 889.02 643.88 117.20 o 2 -22 0 221.38 237.62 108.73 o 3 -22 0 602.11 689.37 208.33 o 1 -21 0 1178.03 857.99 118.41 o 2 -21 0 1093.22 1148.41 211.80 o 3 -21 0 470.51 708.38 139.89 o 0 -20 0 4376.40 4002.44 328.21 o 1 -20 0 398.94 359.86 88.78 o 2 -20 0 10.28 10.05 82.62 o 3 -20 0 549.99 842.77 195.81 o 1 -19 0 478.76 410.85 142.42 o 2 -19 0 4383.79 4797.61 365.40 o 3 -19 0 47.76 -123.92 123.92 o 0 -18 0 6002.06 5294.26 394.89 o 1 -18 0 697.47 554.75 90.25 o 2 -18 0 66.80 20.24 100.02 o 3 -18 0 854.48 779.17 168.25 o 1 -17 0 5000.55 4618.74 248.64 o 2 -17 0 598.93 664.50 135.10 o 3 -17 0 2523.65 2800.05 270.20 o 0 -16 0 813.46 731.57 116.40 o 1 -16 0 6422.05 5886.30 439.60 o 2 -16 0 698.73 807.31 138.76 o 3 -16 0 2672.52 2895.84 276.75 o 1 -15 0 5282.58 4985.33 344.97 o 2 -15 0 2428.90 2399.96 222.21 o 3 -15 0 2918.59 3038.07 266.53 o 7 -15 0 254.83 421.48 120.84 o 0 -14 0 14412.58 12790.55 790.16 o 1 -14 0 2743.94 2316.71 213.15 o 2 -14 0 164.80 166.90 84.60 o 3 -14 0 1626.90 1618.48 196.19 o 7 -14 0 524.95 461.95 126.81 o 1 -13 0 1500.33 1729.48 155.72 o 2 -13 0 9067.39 8524.85 545.02 o 3 -13 0 964.37 1079.43 150.32 o 4 -13 0 49.80 73.81 120.84 o 6 -13 0 2069.10 1862.66 184.24 o 7 -13 0 243.58 206.79 109.08 o 0 -12 0 27672.03 25497.66 1473.16 o 1 -12 0 1710.33 1487.23 148.40 o 2 -12 0 1298.31 1366.40 141.65 o 3 -12 0 1844.56 2037.84 204.48 o 4 -12 0 6182.89 6288.90 481.61 o 5 -12 0 749.53 762.99 104.84 o 6 -12 0 368.16 242.44 93.08 o 7 -12 0 901.57 862.43 139.15 o 8 -12 0 269.03 237.43 120.45 o 1 -11 0 9326.74 8821.45 506.67 o 2 -11 0 11716.74 12117.19 677.80 o 3 -11 0 3876.05 3809.34 284.26 o 4 -11 0 2581.63 2439.66 259.40 o 5 -11 0 1703.58 1803.30 157.26 o 6 -11 0 713.80 687.44 112.55 o 7 -11 0 731.85 743.52 129.32 o 8 -11 0 542.62 410.69 123.92 o 1 -10 0 17992.51 17898.06 1021.62 o 2 -10 0 3114.84 3191.86 230.88 o 3 -10 0 8724.14 9556.88 578.55 o 4 -10 0 99.50 90.33 46.92 o 5 -10 0 1650.98 1628.11 149.94 o 6 -10 0 2853.33 2644.91 210.64 o 7 -10 0 125.28 153.98 94.82 o 8 -10 0 91.01 109.27 107.35 o 1 -9 0 24620.17 24845.30 1373.53 o 2 -9 0 1131.10 1293.36 130.67 o 3 -9 0 6577.88 6455.38 276.57 o 4 -9 0 3860.74 3912.10 198.32 o 5 -9 0 1961.34 1938.97 161.69 o 6 -9 0 158.69 224.52 82.48 o 7 -9 0 754.27 807.31 126.81 o 8 -9 0 929.84 896.93 143.96 o 1 -8 0 9655.77 9322.53 506.67 o 2 -8 0 3395.46 3577.11 229.92 o 3 -8 0 5026.13 5026.63 226.08 o 4 -8 0 5283.18 5183.29 240.33 o 5 -8 0 2374.54 2564.55 185.21 o 6 -8 0 1307.66 1393.96 139.15 o 7 -8 0 1377.39 1160.76 144.73 o 8 -8 0 194.49 208.91 107.15 o 1 -7 0 4090.14 4488.68 251.50 o 2 -7 0 39349.84 40486.79 2295.32 o 3 -7 0 3717.20 3567.93 173.51 o 4 -7 0 1227.28 1238.80 94.06 o 5 -7 0 3611.56 3629.14 258.25 o 6 -7 0 3303.11 3125.37 231.65 o 7 -7 0 508.70 486.62 101.76 o 8 -7 0 42.56 23.13 87.88 o 3 -6 0 4238.08 3908.70 207.27 o 4 -6 0 10929.62 10448.24 444.08 o 5 -6 0 2027.27 1892.82 111.33 o 6 -6 0 359.81 320.11 82.48 o 7 -6 0 1722.39 1644.30 162.66 o 8 -6 0 352.45 418.98 103.49 o 9 -6 0 163.59 222.32 85.35 o 3 -5 0 9761.00 9557.67 360.00 o 4 -5 0 2959.29 2672.06 113.39 o 5 -5 0 4059.29 3646.49 147.04 o 6 -5 0 1781.53 1879.42 100.30 o 7 -5 0 582.96 659.37 79.08 o 8 -5 0 692.36 679.32 90.76 o 9 -5 0 458.35 431.89 90.06 o 2 -4 0 4885.45 4847.72 276.17 o 3 -4 0 19477.21 20699.43 796.78 o 4 -4 0 3427.55 3174.05 129.44 o 5 -4 0 8031.83 7601.05 231.29 o 6 -4 0 3082.56 2781.72 106.02 o 7 -4 0 603.98 713.65 80.33 o 8 -4 0 283.59 200.08 71.55 o 9 -4 0 75.97 69.08 75.75 o 2 -3 0 6860.08 8023.97 449.23 o 3 -3 0 25253.71 25465.90 1004.77 o 4 -3 0 6145.60 5705.58 167.09 o 5 -3 0 3823.43 3595.06 113.62 o 6 -3 0 280.71 318.62 45.82 o 7 -3 0 1363.68 1546.52 109.94 o 8 -3 0 1672.96 1913.44 281.95 o 9 -3 0 72.23 -11.37 123.15 o 2 -2 0 1786.40 1947.62 90.86 o 3 -2 0 11380.90 11393.83 441.18 o 4 -2 0 8081.05 7281.76 184.80 o 5 -2 0 3812.56 3467.15 119.21 o 6 -2 0 3628.29 3654.27 146.33 o 7 -2 0 471.39 604.74 73.84 o 8 -2 0 220.82 207.22 68.20 o 9 -2 0 57.92 95.78 125.85 o 1 -1 0 15213.66 18105.63 1007.36 o 2 -1 0 38763.54 40861.27 1487.30 o 3 -1 0 4959.13 4591.49 147.35 o 4 -1 0 1572.41 1436.24 57.24 o 5 -1 0 3319.82 3267.96 111.65 o 6 -1 0 2902.64 2976.23 124.86 o 7 -1 0 1088.00 1116.38 90.89 o 8 -1 0 519.39 564.87 135.29 o 9 -1 0 668.52 709.79 160.54 o 1 0 0 611.15 776.09 50.49 o 2 0 0 1446.57 1388.59 55.78 o 3 0 0 6055.44 5766.45 194.08 o 4 0 0 16945.88 16505.43 464.45 o 5 0 0 2495.62 2284.77 83.98 o 6 0 0 184.11 130.66 36.13 o 7 0 0 2225.00 2210.71 238.40 o 8 0 0 540.40 606.50 140.88 o 9 0 0 173.21 287.16 140.88 o 2 1 0 35058.48 36347.41 1210.40 o 3 1 0 6227.51 5809.52 211.19 o 4 1 0 1459.99 1388.96 70.82 o 5 1 0 3214.41 3359.44 109.79 o 6 1 0 3111.74 3203.22 154.37 o 7 1 0 1007.38 1145.54 152.64 o 8 1 0 589.14 678.38 150.32 o 9 1 0 661.21 845.66 173.26 o 2 2 0 2604.46 2653.20 149.17 o 3 2 0 10554.57 10750.79 438.80 o 4 2 0 7257.41 6514.29 235.57 o 5 2 0 3937.05 3783.16 136.99 o 6 2 0 3780.40 3773.50 191.83 o 7 2 0 535.75 560.63 128.74 o 8 2 0 250.21 238.78 125.65 o 9 2 0 63.62 152.83 138.57 o 1 3 0 16954.41 17087.29 866.28 o 2 3 0 6881.61 7886.94 468.31 o 3 3 0 26308.86 25728.39 1009.25 o 4 3 0 5212.23 5018.20 263.07 o 5 3 0 4713.14 4759.66 195.67 o 6 3 0 228.28 248.17 61.68 o 7 3 0 1475.01 1448.30 183.47 o 8 3 0 1720.76 1686.32 216.23 o 9 3 0 80.17 151.48 146.85 o 1 4 0 26825.33 30926.05 1556.04 o 2 4 0 4697.20 4692.20 290.24 o 3 4 0 18971.33 19707.16 807.48 o 4 4 0 3058.77 3175.57 264.51 o 5 4 0 8036.72 7873.04 339.95 o 6 4 0 2936.89 2848.77 165.38 o 7 4 0 654.50 814.06 159.19 o 8 4 0 275.73 269.04 150.13 o 9 4 0 73.73 79.21 178.07 o 1 5 0 20802.73 23673.74 1202.58 o 2 5 0 16440.90 16522.03 932.97 o 3 5 0 8651.08 8252.82 767.71 o 4 5 0 3012.79 2922.94 153.96 o 5 5 0 4458.29 4376.53 211.99 o 6 5 0 1983.11 2253.09 143.08 o 7 5 0 604.33 670.86 178.46 o 8 5 0 689.01 701.12 201.59 o 9 5 0 450.81 521.12 217.00 o 1 6 0 3059.53 2701.18 125.30 o 2 6 0 37.73 42.59 36.62 o 3 6 0 4939.49 5166.20 216.81 o 4 6 0 11321.77 10704.04 594.74 o 5 6 0 2160.75 2166.47 263.26 o 6 6 0 300.40 180.12 109.08 o 7 6 0 1617.42 1938.40 257.28 o 8 6 0 314.21 -74.39 172.68 o 9 6 0 157.21 280.80 206.60 o 1 7 0 3431.07 3838.49 121.42 o 2 7 0 40755.49 41661.12 1282.75 o 3 7 0 3929.53 3751.91 245.72 o 4 7 0 1219.06 1182.82 84.15 o 5 7 0 3982.22 4163.24 447.31 o 6 7 0 3047.52 3138.37 188.74 o 7 7 0 570.72 427.26 174.03 o 8 7 0 42.49 24.86 166.13 o 0 8 0 37748.43 38893.31 1457.26 o 1 8 0 8944.85 8450.63 254.33 o 2 8 0 3040.79 3189.69 129.69 o 3 8 0 5002.52 5026.30 231.86 o 4 8 0 4889.82 4471.72 322.42 o 5 8 0 2104.08 2091.99 193.49 o 6 8 0 1338.07 1198.89 103.99 o 7 8 0 1330.91 1427.68 163.62 o 1 9 0 24722.57 24265.10 669.44 o 2 9 0 1247.17 1475.86 81.13 o 3 9 0 6191.73 6086.93 283.57 o 4 9 0 3530.93 3525.84 267.50 o 5 9 0 1842.96 1721.01 172.87 o 6 9 0 220.07 129.12 84.60 o 7 9 0 848.59 1158.06 151.09 o 0 10 0 3360.27 2965.15 148.06 o 1 10 0 17929.25 17914.02 497.99 o 2 10 0 3095.67 3165.50 133.11 o 3 10 0 8546.03 9115.62 416.18 o 4 10 0 53.46 9.06 62.83 o 5 10 0 1875.20 1595.16 166.51 o 6 10 0 2512.19 2412.49 222.79 o 7 10 0 190.36 407.80 113.32 o 1 11 0 8572.73 8146.88 286.56 o 2 11 0 10579.64 11103.39 328.44 o 3 11 0 3598.14 3522.73 190.08 o 4 11 0 2673.70 2631.61 220.28 o 5 11 0 1560.60 1664.92 176.92 o 6 11 0 866.07 902.52 138.95 o 7 11 0 719.12 713.26 143.38 o 0 12 0 26946.52 26345.03 999.39 o 1 12 0 1834.12 1627.77 87.57 o 2 12 0 1355.39 1220.72 65.83 o 3 12 0 2100.59 2101.51 148.97 o 4 12 0 6617.74 6910.23 445.38 o 5 12 0 704.70 870.14 133.94 o 6 12 0 345.70 321.65 111.01 o 7 12 0 854.03 869.17 154.18 o 1 13 0 1372.84 1415.12 86.18 o 2 13 0 9219.14 8712.79 264.22 o 3 13 0 717.34 756.87 75.01 o 4 13 0 70.15 69.96 80.17 o 5 13 0 1210.34 1314.36 166.51 o 6 13 0 2095.81 1971.16 210.07 o 7 13 0 294.73 317.80 127.58 o 0 14 0 15104.61 13690.53 544.54 o 1 14 0 3252.09 2936.46 132.39 o 2 14 0 280.24 308.89 55.68 o 3 14 0 1817.94 1844.63 111.65 o 4 14 0 3181.61 3172.97 273.09 o 5 14 0 969.47 1075.58 164.01 o 6 14 0 221.23 349.02 123.15 o 7 14 0 548.24 871.87 162.08 o 1 15 0 4710.31 4891.26 199.62 o 2 15 0 2513.91 2490.99 129.70 o 3 15 0 2735.91 2723.02 145.57 o 4 15 0 1267.39 1263.68 180.19 o 5 15 0 1085.67 1228.22 182.89 o 6 15 0 336.31 388.72 133.75 o 7 15 0 233.08 369.83 142.81 o 0 16 0 927.67 715.42 87.67 o 1 16 0 7430.11 7020.45 222.26 o 2 16 0 815.16 796.58 80.36 o 3 16 0 2571.66 3068.68 157.37 o 4 16 0 63.99 77.09 110.62 o 5 16 0 1186.08 1250.96 192.34 o 6 16 0 769.14 793.63 169.21 o 1 17 0 5388.98 5122.39 179.67 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-14.92 90.92 o -3 -22 1 10.64 -94.05 162.66 o -2 -22 1 857.57 909.63 138.48 o -1 -22 1 782.89 621.54 140.01 o 0 -22 1 402.92 302.44 109.27 o 1 -22 1 159.57 71.96 87.68 o 2 -22 1 1241.77 1296.58 157.28 o 3 -22 1 37.36 -89.81 151.48 o -3 -21 1 790.10 808.08 210.84 o -2 -21 1 635.19 675.87 123.53 o -1 -21 1 740.34 655.15 110.11 o 0 -21 1 1233.40 967.77 121.62 o 1 -21 1 358.98 377.82 101.10 o 2 -21 1 387.34 295.72 103.49 o 3 -21 1 692.95 773.97 201.39 o 4 -21 1 518.41 809.24 243.41 o -3 -20 1 477.11 394.89 181.16 o -2 -20 1 1192.60 1130.89 201.39 o -1 -20 1 352.12 312.15 89.48 o 0 -20 1 536.03 510.40 94.71 o 1 -20 1 2569.03 2510.78 180.06 o 2 -20 1 367.19 253.26 99.72 o 3 -20 1 291.21 270.20 162.27 o -3 -19 1 559.46 604.95 176.53 o -2 -19 1 1603.40 1441.37 201.01 o -1 -19 1 3803.16 3786.20 219.45 o 0 -19 1 784.86 683.42 97.47 o 1 -19 1 323.24 246.76 81.76 o 2 -19 1 107.32 125.70 84.13 o -4 -18 1 834.78 709.02 207.18 o -3 -18 1 1498.36 1630.81 224.91 o -2 -18 1 2011.67 1926.06 219.32 o -1 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