#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/78/2017832.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2017832_Fobs loop_ _publ_author_name 'Pa\R,2R)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate--acetonitrile ligand exchange ; _journal_coeditor_code GG3238 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m273 _journal_page_last m275 _journal_volume 66 _journal_year 2010 _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 _cell_angle_beta 94.5495(17) _cell_angle_gamma 90 _cell_length_a 12.6799(3) _cell_length_b 12.0326(3) _cell_length_c 11.6791(2) _exptl_crystal_F_000 1032 _reflns_d_resolution_high 0.7505 _[local]_cod_data_source_file gg3238Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 419.67 _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 -15 0 14.80 48.99 72.22 < 2 -15 0 101.94 76.00 68.62 < 3 -15 0 48.37 41.60 82.85 < 0 -14 0 5748.59 6060.55 188.39 o 1 -14 0 2205.07 2407.65 99.96 o 2 -14 0 600.50 671.43 77.09 o 3 -14 0 4461.56 4670.49 112.93 o 4 -14 0 749.76 792.10 71.14 o 5 -14 0 776.01 785.62 100.68 o 1 -13 0 11910.58 12255.45 231.62 o 3 -13 0 2.35 23.59 62.32 < 4 -13 0 9459.97 9438.06 134.90 o 5 -13 0 9778.49 9752.71 131.66 o 6 -13 0 118.93 129.14 80.69 < 7 -13 0 5124.79 5029.44 90.23 o 8 -13 0 5352.08 5438.82 92.93 o 9 -13 0 13.85 18.55 58.35 < 0 -12 0 16201.17 17182.77 281.50 o 1 -12 0 3101.22 3284.94 105.18 o 2 -12 0 3415.11 3456.04 134.54 o 3 -12 0 11841.28 12165.22 108.60 o 4 -12 0 4521.76 4513.08 70.78 o 5 -12 0 2269.35 2284.82 55.11 o 6 -12 0 10202.11 10287.44 116.35 o 7 -12 0 2401.34 2299.77 67.18 o 8 -12 0 1606.33 1543.32 45.93 o 9 -12 0 7551.92 7482.48 81.23 o 10 -12 0 1580.69 1528.91 48.09 o 1 -11 0 1657.05 1626.89 62.14 o 2 -11 0 1601.56 1663.27 57.81 o 3 -11 0 95.47 134.36 41.24 o 4 -11 0 571.10 678.28 43.41 o 5 -11 0 1377.36 1383.57 45.75 o 6 -11 0 24.46 5.04 33.14 < 7 -11 0 561.42 583.18 36.02 o 8 -11 0 533.65 441.98 45.03 o 9 -11 0 77.22 87.35 40.34 < 10 -11 0 1959.81 1938.29 60.88 o 11 -11 0 558.06 550.04 47.91 o 12 -11 0 73.25 58.53 60.70 < 0 -10 0 2341.45 2368.75 43.05 o 1 -10 0 1310.81 1327.92 47.37 o 2 -10 0 876.84 933.85 41.42 o 3 -10 0 11898.82 11867.86 101.22 o 4 -10 0 744.34 744.20 42.14 o 5 -10 0 1188.01 1185.09 34.40 o 6 -10 0 5464.83 5443.50 65.38 o 7 -10 0 1019.06 998.50 50.07 o 8 -10 0 844.58 757.16 46.83 o 9 -10 0 3726.39 3677.03 71.32 o 10 -10 0 1694.59 1703.62 56.19 o 11 -10 0 470.24 413.52 44.31 o 12 -10 0 2697.76 2760.11 96.54 o 1 -9 0 20055.46 20498.15 106.08 o 2 -9 0 20646.60 21174.45 101.76 o 3 -9 0 18.98 29.54 30.26 < 4 -9 0 20702.40 20601.89 92.21 o 5 -9 0 26355.71 26302.95 100.14 o 6 -9 0 110.10 131.84 29.90 o 7 -9 0 12019.72 11561.86 108.06 o 8 -9 0 14230.34 14200.05 118.51 o 9 -9 0 12.36 -0.90 36.38 < 10 -9 0 8361.85 8271.16 96.90 o 11 -9 0 10113.47 10213.24 107.88 o 12 -9 0 0.76 -36.20 58.71 < 13 -9 0 4713.96 4618.62 119.23 o 0 -8 0 26939.02 27435.81 163.18 o 1 -8 0 2512.23 2529.58 49.17 o 2 -8 0 8117.49 8271.34 65.92 o 3 -8 0 37964.42 38716.35 173.62 o 4 -8 0 10262.54 10241.15 64.30 o 5 -8 0 10420.88 10382.71 62.50 o 6 -8 0 26007.67 25834.31 93.11 o 7 -8 0 3616.43 3563.56 39.26 o 8 -8 0 1589.01 1562.95 49.71 o 9 -8 0 16144.42 15904.74 121.39 o 10 -8 0 3435.96 3351.04 65.20 o 11 -8 0 2101.57 2031.41 56.73 o 12 -8 0 9584.41 9394.12 149.13 o 13 -8 0 3294.33 3137.62 103.38 o 14 -8 0 1063.72 1014.17 83.75 o 1 -7 0 6175.14 6228.40 56.37 o 2 -7 0 4805.50 4706.51 49.53 o 3 -7 0 101.50 114.37 26.66 o 4 -7 0 6673.98 6609.69 50.79 o 5 -7 0 8444.81 8444.42 53.85 o 6 -7 0 643.39 672.15 24.31 o 7 -7 0 2203.47 2183.42 31.70 o 8 -7 0 1780.21 1755.31 37.82 o 9 -7 0 522.16 496.37 29.90 o 10 -7 0 1861.84 1911.28 41.42 o 11 -7 0 2500.76 2484.01 58.89 o 12 -7 0 68.66 95.10 59.43 < 13 -7 0 2250.71 2067.97 90.77 o 14 -7 0 2204.34 2254.74 97.44 o 0 -6 0 2081.58 2314.17 59.61 o 1 -6 0 1798.07 1851.30 39.26 o 2 -6 0 7262.80 7852.95 57.81 o 3 -6 0 4287.53 4256.79 42.68 o 4 -6 0 2539.92 2493.92 32.24 o 5 -6 0 330.43 354.27 21.07 o 6 -6 0 3952.85 3871.36 36.38 o 7 -6 0 529.42 502.67 21.25 o 8 -6 0 762.44 743.84 30.26 o 9 -6 0 793.81 770.31 31.52 o 10 -6 0 1022.75 999.40 34.22 o 11 -6 0 221.64 219.55 29.90 o 12 -6 0 1417.17 1414.91 50.79 o 13 -6 0 688.28 626.23 71.86 o 14 -6 0 79.34 117.07 65.74 < 1 -5 0 57412.31 58499.66 227.47 o 2 -5 0 35746.84 36551.30 188.57 o 3 -5 0 144.30 183.53 17.29 o 4 -5 0 18976.44 18865.14 56.55 o 5 -5 0 22598.80 21424.97 71.68 o 6 -5 0 822.08 818.04 21.61 o 7 -5 0 16097.50 15876.83 63.22 o 8 -5 0 20691.15 20349.21 93.65 o 9 -5 0 127.82 179.93 26.84 o 10 -5 0 15447.67 15060.59 107.88 o 11 -5 0 14858.15 14872.56 90.41 o 12 -5 0 164.55 189.29 40.34 o 13 -5 0 4654.74 4825.74 105.90 o 14 -5 0 6256.70 6273.79 90.41 o 15 -5 0 28.44 87.89 68.62 < 0 -4 0 55192.85 56762.19 312.12 o 1 -4 0 2889.61 3003.62 31.16 o 2 -4 0 13629.97 14121.88 50.43 o 3 -4 0 49386.36 48845.84 189.11 o 4 -4 0 19440.47 19612.03 52.77 o 5 -4 0 25276.25 25706.98 60.70 o 6 -4 0 41251.27 40358.37 150.39 o 7 -4 0 14288.67 14041.38 73.12 o 8 -4 0 4825.82 4778.74 48.45 o 9 -4 0 33075.76 33047.36 120.49 o 10 -4 0 4554.33 4535.23 52.23 o 11 -4 0 4879.84 4934.17 72.76 o 12 -4 0 12010.30 11848.59 160.47 o 13 -4 0 4335.23 4189.43 111.31 o 14 -4 0 1934.90 1940.82 61.06 o 15 -4 0 6979.57 7012.94 144.98 o 1 -3 0 12455.06 13329.96 56.73 o 2 -3 0 16014.17 16604.27 70.42 o 3 -3 0 4910.47 5059.88 28.28 o 4 -3 0 16992.71 17154.68 45.57 o 5 -3 0 18553.19 18628.12 57.63 o 6 -3 0 1122.85 1129.98 26.30 o 7 -3 0 17256.87 17367.56 78.35 o 8 -3 0 7723.59 7421.42 56.91 o 9 -3 0 942.36 963.56 31.52 o 10 -3 0 5504.25 5466.92 54.93 o 11 -3 0 4753.01 4846.82 72.40 o 12 -3 0 11.12 32.96 29.00 < 13 -3 0 3382.76 3369.05 69.88 o 14 -3 0 5557.25 5562.37 86.81 o 15 -3 0 54.28 9.73 66.46 < 0 -2 0 4045.63 4366.47 23.77 o 1 -2 0 3133.52 3483.96 19.81 o 2 -2 0 5370.82 5622.17 25.76 o 3 -2 0 303.37 306.54 14.41 o 4 -2 0 414.53 495.11 15.49 o 5 -2 0 8492.02 8862.99 49.17 o 6 -2 0 135.09 141.56 25.21 o 7 -2 0 385.72 383.80 23.05 o 8 -2 0 1189.23 1275.33 30.44 o 9 -2 0 400.00 381.82 27.02 o 10 -2 0 912.18 889.36 31.70 o 11 -2 0 28.75 53.13 28.82 < 12 -2 0 53.69 76.36 29.18 < 13 -2 0 2.84 9.91 30.80 < 14 -2 0 59.86 68.98 65.38 < 15 -2 0 67.75 99.42 68.98 < 2 -1 0 27350.53 27892.38 217.39 o 3 -1 0 320.23 356.43 14.23 o 4 -1 0 28538.02 29128.80 63.40 o 5 -1 0 38145.96 37038.31 93.83 o 6 -1 0 223.32 265.30 20.53 o 7 -1 0 17435.57 17140.63 74.38 o 8 -1 0 19822.98 19483.08 83.39 o 9 -1 0 175.61 172.18 24.67 o 10 -1 0 10420.60 10243.67 96.18 o 11 -1 0 6954.42 7033.29 68.44 o 12 -1 0 61.19 89.69 30.44 < 13 -1 0 3493.15 3469.91 68.08 o 14 -1 0 7856.02 8317.63 98.34 o 15 -1 0 92.47 107.52 68.44 < 2 0 0 11568.72 10837.30 65.56 o 3 0 0 55485.45 56091.84 293.03 o 4 0 0 20590.83 20552.18 52.41 o 5 0 0 6015.15 5973.73 39.80 o 6 0 0 43333.57 42574.93 170.56 o 7 0 0 4275.64 4081.55 39.44 o 8 0 0 8224.49 8460.99 56.55 o 9 0 0 53086.09 53280.75 170.38 o 10 0 0 8105.63 8330.23 71.86 o 11 0 0 5790.61 5803.35 64.12 o 12 0 0 20300.84 20311.74 138.86 o 13 0 0 6480.00 6561.96 88.79 o 14 0 0 2584.95 2661.78 66.28 o 15 0 0 12966.42 13516.91 126.43 o 2 1 0 26775.06 27723.62 190.37 o 3 1 0 330.22 429.19 23.41 o 4 1 0 29382.98 29587.17 104.64 o 5 1 0 37619.88 37667.05 179.02 o 6 1 0 253.71 284.57 28.28 o 7 1 0 17231.44 17030.40 85.91 o 8 1 0 20286.01 20344.52 98.16 o 9 1 0 106.25 106.98 28.82 o 10 1 0 10455.27 10599.38 80.69 o 11 1 0 7002.97 7089.85 86.27 o 12 1 0 19.25 21.61 39.98 < 13 1 0 3346.48 3386.16 70.78 o 14 1 0 8131.69 8448.74 103.02 o 15 1 0 28.61 48.99 43.95 < 0 2 0 4011.41 4473.82 29.54 o 1 2 0 3154.43 3508.63 13.87 o 2 2 0 5442.65 5733.83 21.61 o 3 2 0 338.46 354.45 12.61 o 4 2 0 429.48 513.48 26.48 o 5 2 0 8714.23 9150.79 56.73 o 6 2 0 61.07 79.61 22.87 o 7 2 0 351.97 344.72 26.30 o 8 2 0 1115.83 1192.66 43.05 o 9 2 0 462.92 468.27 40.16 o 10 2 0 744.65 738.25 46.65 o 11 2 0 30.34 48.63 40.34 < 12 2 0 105.26 93.11 40.16 < 13 2 0 18.54 47.55 42.32 < 14 2 0 82.58 58.53 44.67 < 15 2 0 82.63 96.00 45.93 < 16 2 0 57.18 61.78 62.50 < 1 3 0 12405.64 13281.15 92.57 o 2 3 0 15647.20 16413.36 61.42 o 3 3 0 4823.36 4999.54 25.03 o 4 3 0 16999.03 17161.88 60.88 o 5 3 0 18247.97 18417.75 96.72 o 6 3 0 1182.59 1262.18 38.36 o 7 3 0 17081.91 17786.30 110.58 o 8 3 0 7644.58 7594.86 80.33 o 9 3 0 908.54 968.07 46.11 o 10 3 0 5577.73 5348.41 77.99 o 11 3 0 4871.86 5021.52 78.53 o 12 3 0 26.40 27.74 41.96 < 13 3 0 3171.45 3163.91 71.14 o 14 3 0 5617.27 5576.96 90.41 o 15 3 0 47.30 60.52 48.09 < 16 3 0 968.44 964.82 76.54 o 0 4 0 55499.07 56415.30 558.87 o 1 4 0 2834.23 2980.20 19.81 o 2 4 0 13444.27 13682.96 36.74 o 3 4 0 48635.12 48489.23 296.81 o 4 4 0 19852.37 19971.52 66.64 o 5 4 0 25933.99 26361.12 88.25 o 6 4 0 39497.25 39849.75 154.35 o 7 4 0 14715.48 14649.23 103.56 o 8 4 0 4841.98 4776.21 68.44 o 9 4 0 33201.38 33110.21 167.68 o 10 4 0 5226.71 5237.46 79.07 o 11 4 0 4789.96 4907.33 79.43 o 12 4 0 11339.42 11736.75 117.97 o 13 4 0 4067.19 4195.37 81.59 o 14 4 0 2106.56 2117.32 67.36 o 15 4 0 6934.89 6912.80 103.92 o 16 4 0 2370.75 2463.48 99.42 o 1 5 0 57088.04 59885.57 349.22 o 2 5 0 35072.52 35642.85 197.94 o 3 5 0 128.38 165.16 15.13 o 4 5 0 18829.29 18575.71 66.64 o 5 5 0 22869.09 21884.60 94.74 o 6 5 0 757.35 771.03 24.67 o 7 5 0 16037.72 16176.70 110.58 o 8 5 0 21550.96 21584.73 133.28 o 9 5 0 66.65 93.65 41.60 < 10 5 0 14915.82 15000.98 124.45 o 11 5 0 15141.62 15186.84 129.86 o 12 5 0 162.01 200.82 46.65 o 13 5 0 4660.60 4757.12 86.99 o 14 5 0 6325.83 6493.70 100.86 o 15 5 0 4.44 28.46 66.28 < 0 6 0 2182.12 2399.36 40.34 o 1 6 0 1920.38 1939.37 26.84 o 2 6 0 7310.25 7836.38 40.52 o 3 6 0 4045.91 3925.22 32.24 o 4 6 0 2585.05 2642.87 30.08 o 5 6 0 301.13 330.49 19.63 o 6 6 0 3880.64 3831.92 40.52 o 7 6 0 463.29 439.46 27.20 o 8 6 0 663.09 707.63 43.59 o 9 6 0 1069.13 984.10 48.45 o 10 6 0 1087.61 1098.28 51.33 o 11 6 0 189.50 246.92 45.39 o 12 6 0 1358.83 1330.44 59.07 o 13 6 0 625.94 625.51 54.21 o 14 6 0 113.46 128.42 51.33 < 1 7 0 6187.99 6164.29 45.57 o 2 7 0 4949.55 4881.04 35.30 o 3 7 0 106.10 90.59 15.67 o 4 7 0 6367.92 6433.54 44.49 o 5 7 0 8567.87 8592.83 54.03 o 6 7 0 696.99 741.49 27.38 o 7 7 0 2249.85 2071.57 51.51 o 8 7 0 1536.99 1473.26 49.71 o 9 7 0 458.62 407.58 42.32 o 10 7 0 1735.43 1746.48 58.89 o 11 7 0 2686.94 2755.07 70.06 o 12 7 0 103.74 132.56 46.65 < 13 7 0 2032.85 1997.73 68.98 o 14 7 0 2165.37 2156.58 73.30 o 0 8 0 27653.45 28044.75 138.86 o 1 8 0 1745.77 1770.98 30.08 o 2 8 0 7984.15 7981.91 47.01 o 3 8 0 37490.43 37815.46 101.22 o 4 8 0 10438.66 10266.37 57.63 o 5 8 0 10600.01 10821.27 62.32 o 6 8 0 26322.37 26296.82 139.40 o 7 8 0 3261.60 3223.35 60.70 o 8 8 0 1034.16 1005.53 46.83 o 9 8 0 16090.58 16077.65 131.12 o 10 8 0 3447.45 3479.82 73.84 o 11 8 0 2092.57 2095.17 65.56 o 12 8 0 9872.17 9687.15 162.82 o 13 8 0 3263.71 3332.67 81.77 o 1 9 0 19630.76 19783.31 88.61 o 2 9 0 21194.08 21416.87 78.89 o 3 9 0 33.68 57.99 18.73 o 4 9 0 20355.30 20666.73 83.03 o 5 9 0 26107.32 26311.95 135.98 o 6 9 0 59.09 53.13 32.96 < 7 9 0 11519.68 11181.84 102.66 o 8 9 0 14824.77 14249.76 181.91 o 9 9 0 8.03 10.99 40.34 < 10 9 0 8422.78 8110.32 103.38 o 11 9 0 10241.98 10346.69 118.51 o 12 9 0 13.64 25.94 48.09 < 0 10 0 2142.53 2278.15 52.23 o 1 10 0 1208.15 1196.44 30.62 o 2 10 0 667.24 685.84 23.77 o 3 10 0 12353.35 12234.20 65.74 o 4 10 0 506.03 553.46 34.22 o 5 10 0 1059.17 1036.33 41.78 o 6 10 0 5750.39 5583.09 74.20 o 7 10 0 1020.94 1006.43 46.83 o 8 10 0 747.12 786.88 48.09 o 9 10 0 3815.86 3760.42 75.46 o 10 10 0 1583.58 1550.53 61.78 o 11 10 0 428.50 456.39 52.77 o 12 10 0 2820.79 2938.60 110.22 o 1 11 0 1679.69 1684.17 30.44 o 2 11 0 1586.65 1645.62 40.52 o 3 11 0 85.14 109.68 29.36 o 4 11 0 562.71 557.97 35.84 o 5 11 0 1541.45 1487.85 46.83 o 6 11 0 14.70 35.84 35.66 < 7 11 0 513.76 579.58 44.31 o 8 11 0 500.49 526.63 46.65 o 9 11 0 102.48 108.24 44.31 < 10 11 0 2018.96 2049.96 67.36 o 11 11 0 487.96 449.18 73.30 o 0 12 0 15890.92 15831.62 130.40 o 1 12 0 3125.85 3123.21 50.97 o 2 12 0 3303.79 3313.04 54.03 o 3 12 0 11864.16 11848.77 95.64 o 4 12 0 4563.66 4495.61 66.82 o 5 12 0 2308.28 2237.09 54.75 o 6 12 0 10169.28 10205.67 102.84 o 7 12 0 2313.59 2231.33 61.60 o 8 12 0 1630.21 1716.22 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2125.78 126.79 o -4 -14 1 5854.72 5634.06 151.11 o -3 -14 1 2205.01 2242.49 93.11 o -2 -14 1 2198.60 2431.96 99.24 o -1 -14 1 7997.29 8546.00 151.47 o 0 -14 1 572.22 651.26 78.71 o 1 -14 1 4026.34 4358.91 115.09 o 2 -14 1 8053.47 8448.74 212.70 o 3 -14 1 599.18 679.36 69.88 o 4 -14 1 3037.64 3295.21 94.38 o 5 -14 1 5587.50 5471.60 167.50 o -9 -13 1 24.20 53.67 57.81 < -8 -13 1 295.35 267.46 47.73 o -7 -13 1 21.04 1.08 46.11 < -6 -13 1 677.04 704.21 54.21 o -5 -13 1 117.82 127.15 41.06 o -4 -13 1 429.50 387.23 65.38 o -3 -13 1 118.17 136.70 66.64 < -2 -13 1 441.70 421.63 73.66 o -1 -13 1 97.67 85.55 76.18 < 0 -13 1 185.30 223.87 74.74 < 1 -13 1 185.12 189.47 71.32 < 2 -13 1 27.57 -2.70 65.56 < 3 -13 1 302.55 314.64 65.20 o 4 -13 1 346.87 383.08 60.16 o 5 -13 1 49.42 49.35 80.87 < 6 -13 1 145.80 259.17 83.93 o 7 -13 1 23.69 38.36 76.72 < 8 -13 1 532.84 522.13 83.39 o 9 -13 1 182.00 227.65 42.14 o -10 -12 1 2904.50 3003.08 75.82 o -9 -12 1 95.28 85.73 34.04 < -8 -12 1 1632.90 1665.97 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