#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/96/2209674.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_2209674_Fobs loop_ _publ_author_name 'Tr\'avn\'i\trans-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine-\kN^7^}platinum(II) dimethylformamide disolvate ; _journal_coeditor_code TK2048 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1482 _journal_page_last m1484 _journal_volume 62 _journal_year 2006 _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 96.723 _cell_angle_gamma 90.000 _cell_length_a 9.4136 _cell_length_b 20.0628 _cell_length_c 10.9064 _exptl_crystal_F_000 1048.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file tk2048Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' l in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 277.09 _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 33914.70 34148.25 512.69 o 4 0 0 18955.46 19510.88 101.71 o 6 0 0 10058.00 9863.41 49.60 o 8 0 0 3948.59 3981.95 91.04 o 10 0 0 9394.10 10150.19 650.16 o 2 1 0 2769.21 3462.07 43.18 o 3 1 0 3548.42 2974.26 26.76 o 4 1 0 3312.06 3674.59 17.64 o 5 1 0 9169.68 8773.32 84.34 o 6 1 0 390.19 378.05 26.08 o 7 1 0 1829.32 1602.10 15.89 o 8 1 0 1.06 12.57 5.98 o 9 1 0 11882.71 12651.43 447.96 o 10 1 0 128.43 203.68 31.92 o 11 1 0 4638.12 5131.77 157.86 o 2 2 0 6017.19 5578.46 45.61 o 3 2 0 4213.72 4611.27 31.96 o 4 2 0 18853.93 13314.79 1610.70 o 5 2 0 1194.19 1368.55 63.08 o 6 2 0 7682.69 7198.39 63.71 o 7 2 0 898.97 796.96 12.70 o 8 2 0 5547.86 5545.43 37.27 o 9 2 0 274.70 241.85 28.64 o 10 2 0 7379.52 7956.61 256.30 o 11 2 0 304.99 278.32 28.45 o 1 3 0 41917.28 42998.13 85.09 o 2 3 0 6438.38 7269.60 40.26 o 3 3 0 301.05 320.00 7.13 o 4 3 0 9.36 32.99 8.29 o 5 3 0 38885.96 38883.55 370.65 o 6 3 0 334.68 284.79 22.26 o 7 3 0 1896.23 1758.86 18.09 o 8 3 0 177.58 169.35 12.41 o 9 3 0 5602.32 5327.57 59.90 o 10 3 0 0.15 35.08 17.87 o 11 3 0 2109.82 2143.38 54.50 o 0 4 0 5965.09 6240.15 62.91 o 1 4 0 4410.29 4965.47 55.63 o 2 4 0 438.13 379.86 12.00 o 3 4 0 2578.16 2572.47 18.28 o 4 4 0 16645.70 17007.94 79.76 o 5 4 0 4.73 65.70 11.30 o 6 4 0 11255.55 10822.10 76.14 o 7 4 0 206.58 187.21 13.73 o 8 4 0 4694.03 4434.97 44.53 o 9 4 0 5.63 17.40 8.71 o 10 4 0 3189.61 3091.74 72.75 o 1 5 0 19206.49 18954.83 56.60 o 2 5 0 267.63 273.96 8.64 o 3 5 0 6199.44 5911.42 34.75 o 4 5 0 234.44 274.29 8.28 o 5 5 0 17192.08 16614.95 110.05 o 6 5 0 595.53 560.04 17.14 o 7 5 0 8253.12 7787.20 48.45 o 8 5 0 60.01 37.67 15.75 o 9 5 0 3726.00 3741.99 55.19 o 10 5 0 50.55 59.25 22.92 o 0 6 0 50083.64 51725.43 230.79 o 1 6 0 93.59 118.80 16.84 o 2 6 0 1438.47 1336.66 19.99 o 3 6 0 1640.70 1604.08 13.77 o 4 6 0 10212.05 9863.62 54.82 o 5 6 0 294.19 257.91 8.96 o 6 6 0 4632.99 4271.66 64.16 o 7 6 0 578.53 554.89 13.68 o 8 6 0 1553.58 1453.42 33.14 o 9 6 0 134.12 132.55 23.78 o 10 6 0 3840.77 4028.50 65.56 o 1 7 0 33799.86 34462.94 172.09 o 2 7 0 1127.09 972.99 21.20 o 3 7 0 12494.31 12084.28 28.77 o 4 7 0 2484.47 2492.35 54.28 o 5 7 0 8506.99 8491.50 106.40 o 6 7 0 1331.70 1325.90 19.68 o 7 7 0 3741.03 3582.04 26.35 o 8 7 0 12.51 42.39 16.55 o 9 7 0 5682.26 5872.93 63.47 o 10 7 0 30.03 42.32 16.09 o 0 8 0 20592.54 20706.73 128.01 o 1 8 0 787.52 1074.61 44.10 o 2 8 0 25000.22 25745.19 158.77 o 3 8 0 93.75 108.30 6.97 o 4 8 0 5955.51 5487.52 26.32 o 5 8 0 3.14 9.56 5.63 o 6 8 0 6403.00 6099.47 83.95 o 7 8 0 68.32 80.25 10.67 o 8 8 0 9957.72 10079.76 254.33 o 9 8 0 73.22 76.33 23.08 o 10 8 0 6932.42 7446.54 91.18 o 1 9 0 41936.14 42546.98 185.26 o 2 9 0 4206.41 4571.04 72.57 o 3 9 0 8100.40 7539.92 102.91 o 4 9 0 156.67 240.69 23.25 o 5 9 0 8390.49 7832.74 105.84 o 6 9 0 11.87 23.73 5.28 o 7 9 0 4389.56 4351.94 79.60 o 8 9 0 138.80 143.10 23.42 o 9 9 0 6872.99 7165.49 201.58 o 10 9 0 117.76 119.56 32.13 o 0 10 0 17221.01 16981.12 213.96 o 1 10 0 7011.21 7558.40 139.97 o 2 10 0 17173.85 15981.46 71.28 o 3 10 0 12.02 28.43 7.47 o 4 10 0 6124.88 5662.17 67.23 o 5 10 0 16.81 22.78 6.90 o 6 10 0 5300.02 5106.19 69.72 o 7 10 0 232.74 218.13 15.42 o 8 10 0 4741.68 4693.18 85.41 o 9 10 0 92.86 88.82 25.12 o 10 10 0 3469.39 3710.28 71.74 o 1 11 0 7525.30 7181.90 52.76 o 2 11 0 631.83 694.93 20.61 o 3 11 0 16018.00 15467.36 128.31 o 4 11 0 9.42 32.75 7.24 o 5 11 0 5538.34 5343.08 73.63 o 6 11 0 1059.10 1047.73 38.36 o 7 11 0 9538.98 10025.75 355.78 o 8 11 0 570.11 526.26 36.16 o 9 11 0 4642.17 4611.55 72.40 o 0 12 0 8950.03 8510.71 101.23 o 1 12 0 1028.45 1087.36 14.64 o 2 12 0 8146.34 7824.53 78.58 o 3 12 0 1076.17 994.57 23.95 o 4 12 0 10119.06 9617.50 64.27 o 5 12 0 0.36 12.21 6.88 o 6 12 0 12920.56 12864.52 86.49 o 7 12 0 9.72 42.37 21.37 o 8 12 0 3611.32 3723.02 64.19 o 9 12 0 213.80 198.62 32.07 o 1 13 0 1794.00 1611.18 14.71 o 2 13 0 1010.14 1243.03 42.48 o 3 13 0 8470.73 7777.90 160.23 o 4 13 0 1480.24 1491.15 29.63 o 5 13 0 5411.13 5196.30 53.68 o 6 13 0 1076.68 864.31 36.50 o 7 13 0 5765.90 5650.42 69.93 o 8 13 0 1.10 23.99 20.67 o 9 13 0 3061.49 3188.70 83.41 o 0 14 0 3394.91 3219.74 55.55 o 1 14 0 1305.47 1353.85 27.92 o 2 14 0 12018.33 11249.84 127.05 o 3 14 0 428.02 367.83 18.85 o 4 14 0 4814.28 4855.51 60.38 o 5 14 0 577.98 497.00 27.65 o 6 14 0 4223.81 4355.55 62.98 o 7 14 0 247.60 224.38 29.54 o 8 14 0 4231.71 4188.78 157.13 o 9 14 0 35.01 39.94 18.08 o 1 15 0 6965.61 6636.13 101.91 o 2 15 0 17.55 286.50 54.46 o 3 15 0 3215.00 3140.56 32.21 o 4 15 0 1688.92 1532.55 77.28 o 5 15 0 2014.61 2092.08 46.45 o 6 15 0 748.58 558.49 27.73 o 7 15 0 3136.04 2976.33 67.59 o 8 15 0 96.97 94.77 26.35 o 0 16 0 15505.78 14988.06 122.56 o 1 16 0 600.48 1057.09 43.95 o 2 16 0 13416.74 12690.70 94.34 o 3 16 0 431.43 408.56 34.99 o 4 16 0 2510.44 2525.49 39.03 o 5 16 0 221.95 131.37 14.85 o 6 16 0 3442.35 3230.57 122.84 o 7 16 0 82.55 111.71 22.90 o 8 16 0 4606.05 4871.02 192.15 o 1 17 0 10390.34 9833.42 122.47 o 2 17 0 282.53 368.10 48.41 o 3 17 0 7235.03 6998.18 53.28 o 4 17 0 632.17 494.76 26.24 o 5 17 0 2369.65 2319.68 62.09 o 6 17 0 58.09 55.03 19.16 o 7 17 0 3571.81 3648.97 65.20 o 0 18 0 669.75 841.70 35.37 o 1 18 0 606.03 1204.62 50.42 o 2 18 0 2819.87 2683.57 48.20 o 3 18 0 639.49 828.77 43.84 o 4 18 0 4020.58 4035.07 86.25 o 5 18 0 0.68 18.81 11.75 o 6 18 0 3122.47 3171.79 56.31 o 7 18 0 66.32 91.72 33.59 o 1 19 0 4120.00 4367.43 70.48 o 2 19 0 155.68 292.69 43.35 o 3 19 0 4992.02 4848.27 249.01 o 4 19 0 9.53 0.00 13.29 o 5 19 0 5069.39 5068.70 303.36 o 6 19 0 67.57 45.29 20.43 o 0 20 0 2636.90 2516.71 91.60 o 1 20 0 260.47 312.12 41.77 o 2 20 0 3660.61 3707.66 69.72 o 3 20 0 84.08 144.58 32.39 o 4 20 0 3873.43 3864.76 139.78 o 5 20 0 13.77 37.84 24.61 o 6 20 0 3144.95 2662.74 68.11 o 1 21 0 3556.75 3585.72 117.47 o 2 21 0 329.59 379.89 34.34 o 3 21 0 3250.00 3250.95 183.74 o 4 21 0 110.42 38.54 27.80 o 5 21 0 3405.60 3132.68 69.18 o 0 22 0 5233.48 5164.39 124.39 o 1 22 0 109.71 230.07 46.54 o 2 22 0 3977.83 4062.42 76.86 o 3 22 0 188.28 297.93 46.55 o 4 22 0 1913.50 1992.53 114.58 o 1 23 0 4585.20 4805.92 86.53 o 2 23 0 395.66 528.40 42.45 o -11 0 1 2648.61 2737.24 310.89 o -9 0 1 6931.43 7192.60 518.83 o -7 0 1 2160.81 1935.71 21.55 o -5 0 1 13993.78 14115.90 324.04 o -3 0 1 18904.02 19087.47 224.33 o -1 0 1 8661.78 6.44 3.44 o 3 0 1 13076.82 14202.98 62.91 o 5 0 1 27340.33 27292.79 158.84 o 7 0 1 11515.87 11839.10 128.74 o 9 0 1 7909.48 8219.46 89.83 o -11 1 1 36.35 24.70 21.41 o -10 1 1 5092.26 5044.14 77.75 o -9 1 1 0.81 10.70 13.28 o -8 1 1 1929.57 1890.01 23.36 o -7 1 1 334.57 336.53 8.01 o -6 1 1 9010.03 8546.15 53.45 o -5 1 1 104.96 94.39 6.59 o -4 1 1 26780.47 26693.50 59.75 o -3 1 1 3473.86 3168.04 20.05 o -2 1 1 14375.38 14476.63 183.02 o 1 1 1 808.24 632.49 14.28 o 2 1 1 10137.61 9013.58 15.41 o 3 1 1 9488.82 9689.43 67.56 o 4 1 1 21985.87 22619.68 63.79 o 5 1 1 160.86 91.71 13.56 o 6 1 1 3957.74 3758.92 33.12 o 7 1 1 250.04 229.50 14.30 o 8 1 1 5277.83 5514.86 63.22 o 9 1 1 254.92 200.53 24.57 o 10 1 1 2431.28 2234.56 55.97 o -11 2 1 3421.22 3325.89 65.03 o -10 2 1 164.29 253.66 28.80 o -9 2 1 5786.39 6126.31 229.36 o -8 2 1 108.67 98.47 10.91 o -7 2 1 4612.45 4249.05 35.68 o -6 2 1 157.71 157.52 8.13 o -5 2 1 23525.91 23363.10 44.88 o -4 2 1 718.04 652.71 21.78 o -3 2 1 3729.29 3510.47 53.10 o -2 2 1 1128.29 988.19 23.40 o -1 2 1 2099.61 2344.03 19.67 o 1 2 1 30938.53 32602.77 335.52 o 2 2 1 27077.41 28652.14 136.89 o 3 2 1 21785.94 22508.87 99.52 o 4 2 1 2619.70 2747.50 51.09 o 5 2 1 10663.25 10566.57 94.87 o 6 2 1 178.68 134.51 8.25 o 7 2 1 3574.65 3525.57 29.32 o 8 2 1 93.08 104.89 20.26 o 9 2 1 9830.18 10182.55 79.16 o 10 2 1 101.38 130.63 28.64 o -11 3 1 11.25 58.85 30.63 o -10 3 1 14135.15 13868.35 187.15 o -9 3 1 6.46 60.62 22.50 o -8 3 1 12380.20 12559.10 378.56 o -7 3 1 1824.92 1799.96 20.86 o -6 3 1 9810.36 9553.04 38.19 o -5 3 1 1806.85 1974.52 48.86 o -4 3 1 8915.65 8437.78 40.84 o -3 3 1 757.36 761.19 11.71 o -2 3 1 1710.63 1411.58 16.62 o -1 3 1 1666.45 1973.56 19.80 o 0 3 1 24851.35 26177.17 67.04 o 1 3 1 4219.83 4826.50 62.07 o 2 3 1 48809.79 52370.08 443.41 o 3 3 1 4738.17 5476.47 41.13 o 4 3 1 23007.76 23266.98 86.87 o 5 3 1 41.30 38.52 8.18 o 6 3 1 2610.64 2452.03 22.25 o 7 3 1 21.64 26.04 6.63 o 8 3 1 8483.21 8504.67 64.12 o 9 3 1 495.31 398.06 21.23 o 10 3 1 5185.40 5527.54 72.84 o -11 4 1 5554.75 5872.73 174.03 o -10 4 1 201.71 215.62 26.66 o -9 4 1 13537.76 13584.73 361.71 o -8 4 1 839.29 742.20 45.54 o -7 4 1 8495.72 8326.75 61.34 o -6 4 1 188.44 190.50 18.52 o -5 4 1 10846.61 10728.90 76.79 o -4 4 1 415.02 549.18 12.27 o -3 4 1 2688.53 2689.05 20.49 o -2 4 1 357.72 459.01 7.54 o -1 4 1 46174.35 51478.17 267.06 o 0 4 1 7581.11 8552.28 91.76 o 1 4 1 53978.75 57550.90 603.19 o 2 4 1 10717.99 11334.94 92.72 o 3 4 1 40227.05 41126.75 273.78 o 4 4 1 368.54 555.41 30.99 o 5 4 1 7383.93 7133.81 55.68 o 6 4 1 199.68 193.70 8.81 o 7 4 1 921.78 868.50 15.13 o 8 4 1 286.25 230.18 26.16 o 9 4 1 7378.42 7312.43 74.14 o 10 4 1 405.49 433.98 37.28 o -10 5 1 10679.89 10962.71 154.18 o -9 5 1 0.24 72.64 21.79 o -8 5 1 7196.13 7282.19 127.66 o -7 5 1 140.59 119.73 8.30 o -6 5 1 9928.60 9565.93 86.56 o -5 5 1 712.63 745.83 12.72 o -4 5 1 4948.69 4931.91 51.89 o -3 5 1 1822.78 1773.41 20.49 o -2 5 1 12244.55 12223.40 185.07 o -1 5 1 1784.30 2104.87 13.75 o 0 5 1 76315.21 79637.62 983.14 o 1 5 1 99.75 112.42 7.08 o 2 5 1 34504.73 34608.91 302.85 o 3 5 1 10.18 92.04 23.07 o 4 5 1 23347.08 22875.70 179.89 o 5 5 1 2573.43 2479.54 36.18 o 6 5 1 5390.02 4925.75 59.70 o 7 5 1 421.69 401.13 15.04 o 8 5 1 6641.00 6600.95 64.11 o 9 5 1 190.63 157.77 23.31 o 10 5 1 3990.80 4289.14 71.15 o -10 6 1 268.53 308.45 31.71 o -9 6 1 9709.71 9905.98 240.40 o -8 6 1 520.85 475.72 24.04 o -7 6 1 4155.14 4110.11 60.74 o -6 6 1 154.85 117.89 8.93 o -5 6 1 9173.51 8953.40 84.22 o -4 6 1 932.88 998.36 24.20 o -3 6 1 13875.36 13563.45 37.81 o -2 6 1 2477.89 2722.85 17.20 o -1 6 1 19409.08 19401.15 220.19 o 0 6 1 1334.76 1571.43 10.98 o 1 6 1 21252.24 20567.84 82.87 o 2 6 1 1724.93 1889.47 31.80 o 3 6 1 28950.21 30570.05 236.27 o 4 6 1 9577.95 10153.81 31.70 o 5 6 1 5920.61 5428.69 78.16 o 6 6 1 645.20 579.59 13.34 o 7 6 1 2228.19 2211.96 33.87 o 8 6 1 261.52 241.75 17.90 o 9 6 1 6951.28 7416.36 92.17 o 10 6 1 147.40 59.14 22.61 o -10 7 1 4007.50 3987.60 78.48 o -9 7 1 402.83 386.70 33.74 o -8 7 1 611.91 548.56 29.53 o -7 7 1 3.63 34.74 11.05 o -6 7 1 11538.21 11144.14 133.88 o -5 7 1 524.62 637.44 24.37 o -4 7 1 11393.13 11644.79 100.21 o -3 7 1 1132.03 1094.13 10.72 o -2 7 1 7282.10 7334.54 72.09 o -1 7 1 15.45 55.58 10.54 o 0 7 1 15618.87 15243.79 124.78 o 1 7 1 36.07 56.68 6.15 o 2 7 1 7945.38 8086.64 53.04 o 3 7 1 103.30 179.86 10.33 o 4 7 1 12061.80 12091.64 70.62 o 5 7 1 6128.66 6223.49 59.63 o 6 7 1 1947.31 1799.45 19.76 o 7 7 1 4279.05 4323.87 55.30 o 8 7 1 9359.93 9507.91 202.86 o 9 7 1 0.44 42.08 17.53 o 10 7 1 3355.78 3372.42 64.55 o -10 8 1 0.19 6.86 14.90 o -9 8 1 3477.88 3426.03 58.10 o -8 8 1 396.29 330.78 28.31 o -7 8 1 6702.05 6620.51 96.65 o -6 8 1 150.05 110.61 9.16 o -5 8 1 22046.80 22170.50 165.17 o -4 8 1 2400.90 2761.64 24.78 o -3 8 1 15509.50 15309.99 142.81 o -2 8 1 1462.92 1365.04 33.42 o -1 8 1 30852.69 30651.16 194.86 o 0 8 1 862.66 990.65 12.48 o 1 8 1 3146.33 2903.56 35.49 o 2 8 1 883.30 1030.71 25.79 o 3 8 1 5721.01 5506.25 24.69 o 4 8 1 534.23 572.65 33.27 o 5 8 1 11023.18 10537.12 143.04 o 6 8 1 1.14 12.52 3.82 o 7 8 1 7652.84 7328.00 103.75 o 8 8 1 14.22 32.34 16.00 o 9 8 1 6442.64 6693.96 74.86 o 10 8 1 778.13 623.93 46.07 o -10 9 1 2921.31 3004.22 68.49 o -9 9 1 970.30 768.24 59.70 o -8 9 1 2882.77 2545.93 49.23 o -7 9 1 653.16 544.89 21.83 o -6 9 1 7798.47 7962.10 92.73 o -5 9 1 241.47 282.81 8.65 o -4 9 1 12938.77 12651.06 169.26 o -3 9 1 850.30 926.84 10.14 o -2 9 1 9635.17 9333.13 84.29 o -1 9 1 102.37 119.45 8.10 o 0 9 1 3785.73 3508.67 25.13 o 1 9 1 2762.62 2448.30 30.86 o 2 9 1 4326.39 4144.13 35.37 o 3 9 1 293.36 314.98 14.90 o 4 9 1 11307.62 11193.90 114.06 o 5 9 1 1910.31 1988.06 43.03 o 6 9 1 4972.32 4779.98 55.47 o 7 9 1 716.19 703.99 19.78 o 8 9 1 8498.69 8568.50 317.97 o 9 9 1 952.53 851.47 38.67 o 10 9 1 3329.43 3490.31 126.33 o -10 10 1 0.97 19.83 20.20 o -9 10 1 1916.48 1967.68 57.81 o -8 10 1 180.04 124.21 26.37 o -7 10 1 2040.76 2049.91 50.22 o -6 10 1 3771.34 3620.64 27.02 o -5 10 1 9727.26 9283.20 95.44 o -4 10 1 214.64 279.36 8.38 o -3 10 1 2151.26 2120.46 18.05 o -2 10 1 245.70 217.82 9.37 o -1 10 1 20410.82 19917.31 128.88 o 0 10 1 27.93 71.97 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