#------------------------------------------------------------------------------ #$Date: 2010-02-13 12:42:52 +0200 (Sat, 13 Feb 2010) $ #$Revision: 986 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224674.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_2224674_Fobs loop_ _publ_author_name 'Cloete, Nicoline' 'Visser, Hendrik G.' 'Roodt, Andreas' _publ_section_title ; [N,N-Bis(diphenylphosphino)propylamine-\k^2^P,P']dichloridoplatinum(II) ; _journal_coeditor_code HY2248 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m51 _journal_page_last m52 _journal_volume 66 _journal_year 2010 _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 97.326 _cell_angle_gamma 90.000 _cell_length_a 10.6301 _cell_length_b 18.8117 _cell_length_c 12.7653 _exptl_crystal_F_000 1352.00 _reflns_d_resolution_high 0.7491 _[local]_cod_data_source_file hy2248Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 7INC2_0m in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 417.18 _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 91349.39 93204.51 1193.74 o 4 0 0 56311.32 54818.49 849.78 o 6 0 0 115032.55 110281.20 1688.62 o 8 0 0 42565.36 42210.91 851.71 o 10 0 0 20370.89 19971.41 776.84 o 12 0 0 14519.64 14899.61 1800.81 o 14 0 0 11385.26 12630.18 1035.42 o 1 1 0 185.18 138.04 9.92 o 2 1 0 4586.07 4840.05 53.16 o 3 1 0 15.54 -17.86 8.93 o 4 1 0 2554.99 2734.43 49.78 o 5 1 0 3412.37 3473.87 67.62 o 6 1 0 493.11 481.51 30.66 o 7 1 0 1203.00 1093.36 43.34 o 8 1 0 2171.43 2075.18 72.03 o 9 1 0 723.21 796.51 74.41 o 10 1 0 349.52 548.04 100.83 o 11 1 0 686.07 532.34 111.40 o 12 1 0 446.37 159.51 104.52 o 13 1 0 258.73 200.34 120.36 o 14 1 0 82.80 -203.01 117.04 o 0 2 0 133286.75 123432.05 3336.67 o 1 2 0 26151.13 26685.58 237.08 o 2 2 0 47870.84 48419.65 432.51 o 3 2 0 11966.05 12188.50 137.28 o 4 2 0 13502.77 13103.58 152.04 o 5 2 0 30556.14 30218.04 352.32 o 6 2 0 44566.10 43574.52 516.50 o 7 2 0 35915.17 35846.24 422.83 o 8 2 0 26886.08 26862.27 382.21 o 9 2 0 6626.97 6933.11 185.35 o 10 2 0 6986.83 6391.99 267.35 o 11 2 0 8589.37 8580.38 435.74 o 12 2 0 6928.57 7237.94 401.63 o 13 2 0 11594.33 11599.87 482.01 o 14 2 0 8732.44 9772.76 436.05 o 1 3 0 2616.14 2873.00 37.63 o 2 3 0 5.97 -11.05 8.69 o 3 3 0 1760.26 1843.11 35.77 o 4 3 0 1691.99 1776.89 41.33 o 5 3 0 736.43 764.36 31.76 o 6 3 0 286.06 214.12 25.86 o 7 3 0 99.87 106.16 25.75 o 8 3 0 1272.56 1260.29 63.36 o 9 3 0 708.21 702.03 82.98 o 10 3 0 3228.99 3136.38 194.02 o 11 3 0 43.12 -16.96 79.24 o 12 3 0 74.34 61.35 94.33 o 13 3 0 12.53 -79.29 108.82 o 0 4 0 24133.59 25453.42 303.74 o 1 4 0 57614.59 58288.14 472.38 o 2 4 0 1928.95 1950.92 38.94 o 3 4 0 39542.05 39308.99 386.23 o 4 4 0 216.50 228.16 21.10 o 5 4 0 22347.29 21894.10 249.72 o 6 4 0 722.59 718.66 37.44 o 7 4 0 43887.07 42645.25 518.37 o 8 4 0 3010.05 3000.29 94.14 o 9 4 0 17999.08 17493.75 405.24 o 10 4 0 244.01 241.70 87.51 o 11 4 0 8793.71 9270.56 352.70 o 12 4 0 65.27 59.60 95.28 o 13 4 0 18752.42 18474.74 598.83 o 1 5 0 28.55 -19.36 12.08 o 2 5 0 2136.48 2190.99 41.70 o 3 5 0 620.92 584.65 28.04 o 4 5 0 418.79 419.19 26.91 o 5 5 0 1367.25 1538.40 42.51 o 6 5 0 857.17 959.48 44.59 o 7 5 0 207.56 203.95 28.91 o 8 5 0 940.38 896.79 60.60 o 9 5 0 126.61 131.59 48.28 o 10 5 0 376.38 270.45 66.74 o 11 5 0 333.68 337.40 109.71 o 12 5 0 269.03 292.15 113.21 o 13 5 0 295.21 186.36 173.24 o 0 6 0 33642.45 34888.77 415.34 o 1 6 0 79152.45 81888.09 641.81 o 2 6 0 17977.98 17935.15 186.40 o 3 6 0 32601.16 33024.59 305.99 o 4 6 0 12859.11 12831.82 156.69 o 5 6 0 25478.04 24815.73 270.21 o 6 6 0 11750.35 11630.97 171.40 o 7 6 0 50744.57 50506.75 574.12 o 8 6 0 10649.00 10441.46 199.04 o 9 6 0 6303.39 5998.79 206.05 o 10 6 0 11346.41 11353.25 300.63 o 11 6 0 6006.50 5845.17 338.50 o 12 6 0 4655.95 4987.35 288.56 o 13 6 0 10995.68 11494.38 459.13 o 1 7 0 47.35 63.15 18.37 o 2 7 0 36.58 24.26 17.56 o 3 7 0 912.84 930.98 35.68 o 4 7 0 492.00 547.27 31.71 o 5 7 0 24.68 10.19 20.81 o 6 7 0 299.53 249.99 32.75 o 7 7 0 1187.50 1139.32 58.97 o 8 7 0 333.57 281.52 55.92 o 9 7 0 913.61 834.25 82.02 o 10 7 0 1186.57 1303.72 121.42 o 11 7 0 328.50 308.13 112.46 o 12 7 0 36.89 -66.95 105.46 o 13 7 0 799.83 490.53 195.72 o 0 8 0 172220.25 176368.08 2265.52 o 1 8 0 13088.36 14234.92 171.02 o 2 8 0 81029.68 80964.99 744.53 o 3 8 0 2456.00 2458.83 64.45 o 4 8 0 53216.44 52838.96 604.52 o 5 8 0 4465.80 4447.43 88.25 o 6 8 0 71057.28 69397.48 722.36 o 7 8 0 2308.88 2379.90 79.29 o 8 8 0 48261.25 47522.57 662.49 o 9 8 0 23.96 -29.10 56.68 o 10 8 0 19113.31 17416.94 682.59 o 11 8 0 338.34 467.52 100.49 o 12 8 0 10922.28 11207.92 444.89 o 13 8 0 1644.56 1361.47 205.04 o 1 9 0 89.18 50.20 24.65 o 2 9 0 67.35 50.32 24.23 o 3 9 0 377.22 336.52 34.29 o 4 9 0 255.64 232.54 30.33 o 5 9 0 688.54 678.57 45.71 o 6 9 0 0.02 27.74 28.76 o 7 9 0 1931.17 2047.97 72.11 o 8 9 0 2665.82 2740.72 104.55 o 9 9 0 9.31 -77.11 56.71 o 10 9 0 610.72 575.84 169.81 o 11 9 0 0.90 49.01 82.95 o 12 9 0 38.60 -49.77 117.95 o 13 9 0 270.84 258.15 149.27 o 0 10 0 72705.61 73545.50 1212.21 o 1 10 0 14371.55 14178.25 191.21 o 2 10 0 39483.39 39465.12 433.54 o 3 10 0 23877.71 24044.99 321.29 o 4 10 0 19773.03 19700.47 240.98 o 5 10 0 9633.64 9520.29 166.73 o 6 10 0 43579.81 43023.26 496.97 o 7 10 0 10290.90 10232.49 182.93 o 8 10 0 27623.13 27008.15 410.06 o 9 10 0 4909.86 4774.58 239.53 o 10 10 0 4463.50 4319.70 226.67 o 11 10 0 5137.93 4607.03 440.53 o 12 10 0 8099.11 8798.90 415.53 o 1 11 0 3686.45 4011.49 101.61 o 2 11 0 767.19 851.23 52.29 o 3 11 0 201.36 174.42 33.16 o 4 11 0 2362.64 2329.41 75.09 o 5 11 0 1228.44 1141.35 62.19 o 6 11 0 84.50 67.90 38.43 o 7 11 0 2.26 -13.97 40.03 o 8 11 0 2666.47 2564.41 107.81 o 9 11 0 435.30 197.63 93.12 o 10 11 0 938.87 963.41 160.61 o 11 11 0 49.65 21.45 103.77 o 12 11 0 453.60 677.77 172.08 o 0 12 0 20681.94 21040.52 440.77 o 1 12 0 29277.42 30631.04 368.80 o 2 12 0 2336.11 2468.28 82.57 o 3 12 0 9802.24 9740.45 166.18 o 4 12 0 292.02 285.49 39.10 o 5 12 0 25236.25 25183.57 376.12 o 6 12 0 3379.72 3196.75 110.19 o 7 12 0 17694.10 17569.53 295.97 o 8 12 0 2129.20 2121.12 104.74 o 9 12 0 15251.15 14252.02 488.43 o 10 12 0 194.49 125.26 110.22 o 11 12 0 12704.58 11609.02 678.27 o 12 12 0 1273.76 1053.22 174.96 o 1 13 0 41.03 73.19 34.33 o 2 13 0 53.46 54.34 32.65 o 3 13 0 5.76 10.27 31.16 o 4 13 0 1173.25 1226.13 64.53 o 5 13 0 70.87 28.21 39.31 o 6 13 0 57.83 4.62 48.41 o 7 13 0 294.25 286.04 66.56 o 8 13 0 1299.90 1238.94 112.48 o 9 13 0 34.96 69.43 110.16 o 10 13 0 15.14 -119.62 102.58 o 11 13 0 0.34 135.10 129.29 o 12 13 0 169.03 115.36 118.75 o 0 14 0 600.43 702.98 84.04 o 1 14 0 31984.78 33507.70 418.43 o 2 14 0 3806.21 3861.89 129.33 o 3 14 0 16997.71 17620.38 262.94 o 4 14 0 9860.06 9980.53 201.09 o 5 14 0 20720.01 20598.06 335.67 o 6 14 0 1288.17 1299.34 96.23 o 7 14 0 27562.95 27242.30 520.22 o 8 14 0 1189.83 1098.51 111.68 o 9 14 0 12356.84 12874.64 481.53 o 10 14 0 6731.00 6295.45 375.35 o 11 14 0 8962.34 8141.70 395.37 o 1 15 0 300.97 338.91 47.65 o 2 15 0 9.51 -25.04 37.24 o 3 15 0 382.85 384.76 53.62 o 4 15 0 455.38 403.03 60.94 o 5 15 0 102.29 57.68 56.64 o 6 15 0 584.75 596.10 84.20 o 7 15 0 1624.61 1496.75 133.78 o 8 15 0 253.34 135.47 87.23 o 9 15 0 455.92 433.89 142.99 o 10 15 0 29.50 68.01 127.07 o 11 15 0 581.68 508.99 166.13 o 0 16 0 39640.17 41997.39 751.54 o 1 16 0 4927.57 5209.16 142.36 o 2 16 0 39570.73 40362.29 551.21 o 3 16 0 2632.67 2463.58 125.32 o 4 16 0 40486.35 39790.16 620.34 o 5 16 0 1856.70 1792.57 117.76 o 6 16 0 18019.53 18368.43 404.29 o 7 16 0 4493.86 4710.86 232.11 o 8 16 0 16139.94 15821.57 434.84 o 9 16 0 511.91 618.25 171.44 o 10 16 0 15222.05 15371.47 578.19 o 1 17 0 1.22 0.97 44.08 o 2 17 0 11.94 68.34 58.70 o 3 17 0 40.69 88.29 64.57 o 4 17 0 321.39 226.86 81.64 o 5 17 0 5.67 36.00 77.84 o 6 17 0 1.20 117.87 94.21 o 7 17 0 37.49 -2.76 88.12 o 8 17 0 48.80 -62.39 95.33 o 9 17 0 84.73 145.45 151.70 o 10 17 0 113.55 32.21 157.77 o 0 18 0 25552.73 26604.82 688.16 o 1 18 0 3886.73 4049.50 168.88 o 2 18 0 28852.87 30038.87 595.07 o 3 18 0 9977.59 10599.64 303.77 o 4 18 0 15459.71 15116.26 402.86 o 5 18 0 4152.16 4115.26 217.71 o 6 18 0 17356.69 16691.05 613.27 o 7 18 0 840.95 804.39 154.50 o 8 18 0 17526.90 17337.44 481.69 o 9 18 0 6083.58 5648.15 605.01 o 1 19 0 457.28 483.54 95.20 o 2 19 0 662.60 657.49 127.25 o 3 19 0 1.00 -37.48 72.42 o 4 19 0 237.96 193.83 94.23 o 5 19 0 508.88 442.35 108.03 o 6 19 0 657.65 485.54 125.61 o 7 19 0 24.10 -97.44 94.29 o 8 19 0 1164.54 1138.60 164.58 o 9 19 0 93.46 149.12 199.84 o 0 20 0 11208.80 11499.30 811.28 o 1 20 0 5501.58 5782.76 236.46 o 2 20 0 1797.25 1875.49 197.49 o 3 20 0 15730.48 15937.59 461.54 o 4 20 0 1752.03 1839.97 195.38 o 5 20 0 9284.34 8763.61 401.37 o 6 20 0 6722.73 6823.73 593.25 o 7 20 0 5953.72 5244.51 301.14 o 8 20 0 3345.05 3057.97 255.55 o 1 21 0 183.10 277.11 101.23 o 2 21 0 26.92 43.23 95.92 o 3 21 0 143.61 346.00 107.45 o 4 21 0 490.32 201.60 114.11 o 5 21 0 28.40 41.55 121.37 o 6 21 0 13.91 10.17 122.82 o 7 21 0 27.93 -0.10 119.89 o 0 22 0 552.03 529.77 147.08 o 1 22 0 10540.95 10984.58 394.91 o 2 22 0 770.61 783.45 152.88 o 3 22 0 15287.97 15859.57 522.58 o 4 22 0 798.49 920.85 244.96 o 5 22 0 10472.76 10887.72 584.20 o 6 22 0 107.58 5.20 129.35 o 1 23 0 188.94 157.67 104.12 o 2 23 0 40.36 34.34 106.20 o 3 23 0 0.67 -144.42 103.04 o 4 23 0 43.21 12.39 135.10 o 5 23 0 312.07 -48.60 142.56 o 0 24 0 7097.07 7358.95 421.13 o 1 24 0 2706.50 2636.61 294.27 o 2 24 0 12340.52 12434.34 486.02 o 3 24 0 2130.53 1980.23 268.70 o 4 24 0 17183.52 17127.26 648.36 o 1 25 0 0.65 -28.30 138.64 o -13 0 1 12203.43 12456.45 664.93 o -11 0 1 8031.48 7766.18 463.28 o -9 0 1 17350.48 16809.79 447.35 o -7 0 1 47029.13 46562.19 766.94 o -5 0 1 69592.89 69125.80 1054.49 o -3 0 1 18754.76 17864.45 265.59 o -1 0 1 101932.66 47548.54 1926.81 o 1 0 1 96830.41 97730.51 3873.22 o 3 0 1 83513.74 83944.16 1937.16 o 5 0 1 14340.40 12264.41 301.32 o 7 0 1 67527.48 66629.05 1250.41 o 9 0 1 42911.93 41146.34 1092.93 o 11 0 1 2211.88 2098.40 242.80 o 13 0 1 10670.56 10997.61 590.16 o -14 1 1 1339.14 1455.96 204.79 o -13 1 1 7320.16 8180.58 382.02 o -12 1 1 2708.40 2468.64 210.67 o -11 1 1 7713.50 7598.30 322.77 o -10 1 1 390.91 384.27 55.22 o -9 1 1 6442.82 6500.13 135.71 o -8 1 1 4347.79 4352.26 107.55 o -7 1 1 18742.96 18095.53 243.02 o -6 1 1 12162.10 12715.14 159.31 o -5 1 1 39661.74 40370.69 433.14 o -4 1 1 8218.64 8271.61 99.96 o -3 1 1 9473.03 9414.41 107.04 o -2 1 1 1819.50 1848.58 30.83 o -1 1 1 13955.96 14842.16 179.42 o 1 1 1 59672.13 59602.64 977.59 o 2 1 1 9395.87 9399.00 170.93 o 3 1 1 26973.35 26533.44 417.36 o 4 1 1 1168.76 1211.83 48.51 o 5 1 1 8301.29 7585.13 134.04 o 6 1 1 3915.91 3962.71 99.45 o 7 1 1 28531.13 27684.76 401.26 o 8 1 1 417.02 425.36 49.80 o 9 1 1 15756.04 15766.69 361.70 o 10 1 1 606.93 532.86 96.43 o 11 1 1 6786.03 6017.11 266.98 o 12 1 1 46.03 -2.01 90.48 o 13 1 1 7023.18 7594.01 351.14 o -14 2 1 2158.33 2004.18 231.25 o -13 2 1 9316.60 9682.52 413.43 o -12 2 1 3509.11 3623.90 246.42 o -11 2 1 6018.00 6119.78 291.86 o -10 2 1 2043.91 1952.27 111.89 o -9 2 1 6135.52 5888.13 128.19 o -8 2 1 5456.88 5492.46 123.40 o -7 2 1 25953.39 25857.56 326.80 o -6 2 1 8965.15 8917.63 130.79 o -5 2 1 23562.05 22733.41 289.38 o -4 2 1 19722.67 19876.81 213.46 o -3 2 1 2435.56 2307.12 44.91 o -2 2 1 4254.32 4248.17 51.04 o -1 2 1 29111.28 29960.47 265.95 o 0 2 1 17587.13 18703.73 189.63 o 1 2 1 65908.52 66887.15 694.24 o 2 2 1 110284.95 113788.55 1174.07 o 3 2 1 13268.44 13643.77 167.98 o 4 2 1 26923.43 27075.20 333.47 o 5 2 1 12442.89 12260.72 177.12 o 6 2 1 21746.99 22047.04 320.61 o 7 2 1 19450.49 19358.94 298.11 o 8 2 1 17426.08 18009.83 294.61 o 9 2 1 8479.73 8593.58 261.14 o 10 2 1 4951.13 4707.86 221.68 o 11 2 1 1635.14 1721.05 162.32 o 12 2 1 5942.36 6141.26 294.17 o 13 2 1 3893.08 3977.65 425.52 o -14 3 1 6102.62 5983.71 357.12 o -13 3 1 2193.48 2005.61 226.95 o -12 3 1 10683.98 10541.21 407.40 o -11 3 1 48.23 -5.45 62.81 o -10 3 1 2292.41 2070.39 117.70 o -9 3 1 632.46 637.75 50.68 o -8 3 1 5446.09 5480.29 113.68 o -7 3 1 4272.66 4252.41 106.32 o -6 3 1 33244.07 34307.61 381.26 o -5 3 1 1048.87 1004.69 44.29 o -4 3 1 6074.30 5847.98 83.35 o -3 3 1 6833.65 7559.73 90.42 o -2 3 1 20198.80 20856.99 193.15 o -1 3 1 81.86 101.77 10.21 o 0 3 1 18170.13 18992.10 167.49 o 1 3 1 13357.83 13961.70 133.33 o 2 3 1 4426.14 4367.52 54.50 o 3 3 1 3508.10 3476.36 59.55 o 4 3 1 10202.35 10238.39 147.75 o 5 3 1 3326.92 3170.95 63.90 o 6 3 1 12253.64 11778.50 166.51 o 7 3 1 5058.32 5271.83 115.46 o 8 3 1 8036.15 8179.06 220.32 o 9 3 1 5251.62 5201.18 186.10 o 10 3 1 6528.98 6585.02 287.50 o 11 3 1 1899.94 1848.94 166.35 o 12 3 1 2689.80 3115.66 271.24 o 13 3 1 2776.11 2981.98 239.87 o -13 4 1 270.88 -29.41 112.40 o -12 4 1 14217.23 13600.80 707.62 o -11 4 1 49.16 121.89 75.02 o -10 4 1 6500.33 6187.78 257.89 o -9 4 1 268.88 278.51 42.04 o -8 4 1 14960.99 14765.34 233.64 o -7 4 1 178.31 125.06 29.27 o -6 4 1 31245.60 30856.87 352.52 o -5 4 1 2267.55 2319.10 59.04 o -4 4 1 9189.34 9202.24 120.05 o -3 4 1 341.18 375.46 22.23 o -2 4 1 14479.93 14655.64 135.31 o -1 4 1 806.40 806.27 24.22 o 0 4 1 46566.58 48106.37 394.35 o 1 4 1 12726.10 13532.92 121.38 o 2 4 1 24802.47 25290.43 228.13 o 3 4 1 59.04 43.57 11.39 o 4 4 1 7608.85 7485.85 108.59 o 5 4 1 1869.64 2179.03 54.01 o 6 4 1 16302.26 15979.15 212.02 o 7 4 1 548.95 520.23 36.94 o 8 4 1 21928.54 22023.31 350.96 o 9 4 1 23.91 -27.81 58.77 o 10 4 1 9535.24 9812.58 337.25 o 11 4 1 42.77 -20.32 81.42 o 12 4 1 7590.52 7748.89 338.88 o 13 4 1 49.98 81.86 109.43 o -13 5 1 128.55 136.08 129.26 o -12 5 1 16809.15 16977.57 557.82 o -11 5 1 18.21 0.82 72.26 o -10 5 1 6515.90 6137.19 242.95 o -9 5 1 2059.53 2001.66 94.12 o -8 5 1 10896.31 11136.18 194.04 o -7 5 1 20.88 -9.27 27.29 o -6 5 1 23594.45 22943.32 278.45 o -5 5 1 89.36 61.14 20.12 o -4 5 1 7870.92 7995.42 106.50 o -3 5 1 4018.09 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