#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/52/2205255.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_2205255_Fobs loop_ _publ_author_name 'Cao, Qian-Yong' 'Fu, Wen-Fu' 'Zhao, Xi-Juan' _publ_section_title ; Chloro[2-(2,2'-bipyridyl-6-yl)-5-methylphenyl]platinum(II) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m427 _journal_page_last m429 _journal_volume 61 _journal_year 2005 _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 100.250 _cell_angle_gamma 90.000 _cell_length_a 8.4179 _cell_length_b 11.5167 _cell_length_c 15.3634 _exptl_crystal_F_000 896.00 _reflns_d_resolution_high 0.8023 _[local]_cod_data_source_file er6007Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 040227E in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 330.38 _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 51774.72 52811.75 1628.85 o 4 0 0 15245.69 14192.99 382.29 o 6 0 0 22891.23 22621.36 745.64 o 8 0 0 5996.89 6615.84 399.04 o 10 0 0 1267.76 1307.49 232.04 o 1 1 0 1388.02 1404.42 174.77 o 2 1 0 59.43 173.97 24.83 o 3 1 0 2241.82 2375.58 62.43 o 4 1 0 6581.61 7179.78 160.46 o 5 1 0 99.41 96.09 26.75 o 6 1 0 8673.15 8536.45 199.13 o 7 1 0 873.46 955.96 76.55 o 8 1 0 2973.06 2977.58 145.22 o 9 1 0 714.91 649.61 116.81 o 10 1 0 2222.89 2312.90 184.59 o 0 2 0 24344.95 19485.34 1659.22 o 1 2 0 22869.49 21560.86 690.51 o 2 2 0 27334.00 26905.07 726.84 o 3 2 0 41753.98 41573.58 1489.54 o 4 2 0 32894.37 34753.18 699.11 o 5 2 0 10839.02 11406.26 249.46 o 6 2 0 10861.33 10994.66 248.18 o 7 2 0 4542.04 4376.36 320.17 o 8 2 0 5040.16 5007.90 193.74 o 9 2 0 1584.61 1387.32 143.97 o 10 2 0 505.05 483.46 134.60 o 1 3 0 2908.29 3071.30 72.79 o 2 3 0 1432.06 1486.01 44.19 o 3 3 0 6357.15 6764.10 150.53 o 4 3 0 1267.32 1308.18 61.02 o 5 3 0 927.51 927.67 49.83 o 6 3 0 1178.33 1155.41 60.24 o 7 3 0 4298.27 4244.51 143.18 o 8 3 0 433.29 383.22 92.39 o 9 3 0 4064.69 3856.22 176.74 o 10 3 0 399.14 552.78 136.87 o 0 4 0 3817.31 3842.84 177.31 o 1 4 0 50029.04 45523.81 1742.38 o 2 4 0 1840.46 2134.85 65.15 o 3 4 0 58992.20 57273.41 1138.13 o 4 4 0 1064.99 1107.38 50.59 o 5 4 0 22067.48 22531.25 469.31 o 6 4 0 815.47 781.13 67.79 o 7 4 0 3067.40 3165.02 182.32 o 8 4 0 27.39 -44.25 84.74 o 9 4 0 3387.90 3181.97 165.96 o 1 5 0 1672.76 1766.13 62.45 o 2 5 0 1047.86 1138.09 37.76 o 3 5 0 2719.57 2937.33 70.97 o 4 5 0 930.94 956.17 49.59 o 5 5 0 2382.39 2445.86 81.22 o 6 5 0 1704.92 1593.07 83.65 o 7 5 0 3466.04 3411.53 130.63 o 8 5 0 500.69 235.54 74.17 o 9 5 0 2201.25 2047.37 142.35 o 0 6 0 24719.57 23529.18 885.38 o 1 6 0 20720.30 19395.06 458.85 o 2 6 0 23282.01 24027.11 497.37 o 3 6 0 11830.20 11887.04 234.40 o 4 6 0 7314.84 7370.56 174.13 o 5 6 0 10081.57 10437.29 271.92 o 6 6 0 4658.24 4787.00 155.92 o 7 6 0 4397.33 4515.53 157.57 o 8 6 0 2692.12 2474.85 130.02 o 9 6 0 1127.34 996.36 132.36 o 1 7 0 2.27 -43.09 43.09 o 2 7 0 204.07 149.12 37.64 o 3 7 0 28.00 -21.74 48.69 o 4 7 0 5397.46 5670.23 163.99 o 5 7 0 1560.07 1542.21 99.41 o 6 7 0 2878.67 2991.37 139.08 o 7 7 0 253.32 187.88 112.51 o 8 7 0 1646.68 1430.92 122.14 o 9 7 0 79.76 -115.67 115.67 o 0 8 0 28492.32 26681.84 892.23 o 1 8 0 549.13 547.90 50.42 o 2 8 0 24906.99 24841.50 592.20 o 3 8 0 195.31 201.54 119.76 o 4 8 0 13458.53 14733.25 974.98 o 5 8 0 88.55 77.98 96.88 o 6 8 0 10343.95 10707.28 342.05 o 7 8 0 398.38 460.32 121.12 o 8 8 0 2993.66 3179.36 165.49 o 1 9 0 493.70 379.31 57.15 o 2 9 0 583.43 656.69 65.30 o 3 9 0 643.39 563.68 79.30 o 4 9 0 1486.83 1598.40 287.03 o 5 9 0 12.70 -56.41 103.12 o 6 9 0 1399.30 1543.28 157.46 o 7 9 0 611.85 672.82 195.91 o 8 9 0 1701.64 1649.92 181.62 o 0 10 0 5900.68 5664.78 248.43 o 1 10 0 6071.51 5916.55 180.75 o 2 10 0 9820.11 10149.34 325.59 o 3 10 0 6139.98 6317.03 297.36 o 4 10 0 6057.93 6728.11 621.78 o 5 10 0 3327.82 3776.36 330.74 o 6 10 0 2888.70 3050.11 214.07 o 7 10 0 997.50 1286.84 172.54 o 1 11 0 20.82 -27.08 63.00 o 2 11 0 366.32 287.11 89.37 o 3 11 0 689.86 551.23 126.36 o 4 11 0 18.64 -109.67 109.67 o 5 11 0 1159.89 930.84 156.27 o 6 11 0 54.42 164.53 157.80 o 0 12 0 23.15 66.35 113.33 o 1 12 0 8763.44 8869.99 259.43 o 2 12 0 148.19 64.71 86.66 o 3 12 0 6411.00 6591.46 320.51 o 4 12 0 47.99 4.65 120.05 o 5 12 0 3721.92 4577.68 507.03 o 1 13 0 13.23 2.93 90.13 o 2 13 0 1.85 -88.58 125.90 o 3 13 0 203.27 35.90 139.25 o 4 13 0 198.18 75.07 133.66 o 0 14 0 2431.66 2682.25 218.32 o 1 14 0 3227.81 3387.95 224.79 o 2 14 0 1678.22 1614.06 177.19 o -9 0 1 5002.62 4657.04 332.06 o -7 0 1 13985.03 13255.63 471.99 o -5 0 1 31055.61 29595.38 779.94 o -3 0 1 18692.62 18619.59 491.11 o -1 0 1 77706.88 55805.85 2460.90 o 1 0 1 8634.59 10510.07 472.02 o 3 0 1 10589.35 11187.56 300.60 o 5 0 1 594.16 642.45 55.89 o 7 0 1 610.63 591.70 104.76 o 9 0 1 38.85 -49.19 141.58 o -10 1 1 15.53 -115.94 115.94 o -9 1 1 180.86 172.95 110.73 o -8 1 1 2.74 -58.88 108.20 o -7 1 1 2859.37 2875.45 129.35 o -6 1 1 1184.46 1082.54 104.46 o -5 1 1 3655.43 3464.65 84.58 o -4 1 1 3081.68 2899.25 70.61 o -3 1 1 11176.60 11572.41 273.25 o -2 1 1 4557.58 4550.03 100.75 o -1 1 1 46480.72 37441.23 2579.16 o 0 1 1 14385.79 9841.94 546.62 o 1 1 1 30990.07 30385.51 673.72 o 2 1 1 8247.67 8577.06 177.80 o 3 1 1 25835.96 26778.85 537.01 o 4 1 1 3138.73 3142.89 81.76 o 5 1 1 28453.88 29495.33 600.04 o 6 1 1 3453.90 3577.00 103.46 o 7 1 1 15698.85 16186.78 398.09 o 8 1 1 1566.51 1471.04 110.24 o 9 1 1 5284.33 5022.21 246.29 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1 16813.30 15052.09 661.21 o 1 3 1 5008.07 4812.36 164.61 o 2 3 1 47396.84 45851.16 908.98 o 3 3 1 7027.20 7422.65 163.89 o 4 3 1 33843.89 33248.32 671.75 o 5 3 1 5680.28 5892.13 144.30 o 6 3 1 19937.50 20086.31 425.57 o 7 3 1 840.40 820.67 96.69 o 8 3 1 8116.57 7894.60 267.41 o 9 3 1 1226.84 1234.86 121.57 o -9 4 1 23.98 -129.75 129.75 o -8 4 1 8245.69 8280.42 398.05 o -7 4 1 252.12 147.16 65.39 o -6 4 1 15197.93 15352.86 379.95 o -5 4 1 151.10 53.39 36.55 o -4 4 1 22638.30 23247.55 478.56 o -3 4 1 200.65 196.00 29.79 o -2 4 1 29641.70 29938.02 606.55 o -1 4 1 477.25 470.83 23.19 o 0 4 1 16415.03 15327.78 359.04 o 1 4 1 119.64 98.49 23.44 o 2 4 1 8032.30 7787.95 189.12 o 3 4 1 273.33 270.72 28.67 o 4 4 1 6120.12 6361.14 150.24 o 5 4 1 70.09 82.08 37.93 o 6 4 1 101.62 129.52 55.30 o 7 4 1 0.96 0.99 61.83 o 8 4 1 82.97 85.21 89.70 o 9 4 1 0.29 122.62 90.82 o -9 5 1 0.11 68.05 106.01 o -8 5 1 460.38 475.27 78.92 o -7 5 1 1357.40 1294.17 90.78 o -6 5 1 1913.03 1938.67 92.94 o -5 5 1 14.59 34.01 49.48 o -4 5 1 9986.59 10031.67 222.94 o -3 5 1 335.68 274.48 39.45 o -2 5 1 22394.88 22327.94 459.87 o -1 5 1 11275.26 11417.64 276.38 o 0 5 1 29165.93 26055.19 714.29 o 1 5 1 670.42 622.64 38.76 o 2 5 1 45361.57 44329.70 894.47 o 3 5 1 4105.30 4369.12 97.17 o 4 5 1 25234.32 25508.98 525.30 o 5 5 1 5198.63 5190.01 135.26 o 6 5 1 9975.23 10019.01 265.98 o 7 5 1 1330.51 1193.07 97.10 o 8 5 1 8156.31 7890.41 249.47 o 9 5 1 287.64 441.34 102.55 o -9 6 1 1585.12 1569.15 135.85 o -8 6 1 3727.54 3898.05 153.86 o -7 6 1 3077.99 3123.02 129.07 o -6 6 1 6773.52 7489.29 216.48 o -5 6 1 8301.35 8511.27 231.71 o -4 6 1 7670.91 7644.67 179.34 o -3 6 1 10144.90 10469.16 219.23 o -2 6 1 6306.96 6491.39 172.73 o -1 6 1 6215.50 6546.78 173.07 o 0 6 1 7851.75 7765.51 200.37 o 1 6 1 13020.11 12877.64 412.22 o 2 6 1 4622.43 4501.62 110.78 o 3 6 1 1686.14 1586.46 55.92 o 4 6 1 1325.57 1323.82 57.68 o 5 6 1 97.57 55.88 41.55 o 6 6 1 362.24 383.11 61.40 o 7 6 1 3.27 -36.40 65.62 o 8 6 1 0.07 2.67 88.27 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