#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/17/2011785.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_2011785_Fobs loop_ _publ_author_name 'Arendse, Malcolm J.' 'Anderson, Gordon K.' 'Rath, Nigam P.' _publ_section_title ; [Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II) and cis-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II) dinitrate dihydrate ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 237 _journal_page_last 239 _journal_volume 57 _journal_year 2001 _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 92.811 _cell_angle_gamma 90.000 _cell_length_a 12.9843 _cell_length_b 16.3998 _cell_length_c 22.6979 _exptl_crystal_F_000 2320.00 _reflns_d_resolution_high 0.7977 _[local]_cod_data_source_file bk1556IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' gka13099/lt/ccd in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 530.82 _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 75325.76 76564.48 807.42 o 4 0 0 6669.39 6780.05 105.04 o 6 0 0 30562.18 30197.92 377.45 o 8 0 0 42830.26 44068.95 545.51 o 10 0 0 7319.29 6874.59 151.26 o 12 0 0 88.71 -37.11 103.64 o 14 0 0 14608.11 15072.70 274.51 o 16 0 0 7915.64 7961.42 270.31 o 1 1 0 287.53 421.57 11.20 o 2 1 0 19422.16 20131.48 200.28 o 3 1 0 76225.04 79972.02 631.65 o 4 1 0 21622.19 20609.07 181.37 o 5 1 0 9452.08 9827.65 107.84 o 6 1 0 11608.18 12020.91 135.85 o 7 1 0 792.51 829.12 53.22 o 8 1 0 4255.85 4591.70 76.33 o 9 1 0 776.27 774.50 58.82 o 10 1 0 5533.05 5936.92 100.84 o 11 1 0 3678.39 3707.95 91.04 o 12 1 0 9129.19 9015.33 135.15 o 13 1 0 1392.06 1330.52 85.43 o 14 1 0 120.45 -75.63 99.44 o 15 1 0 372.49 334.73 113.44 o 16 1 0 3968.86 3751.37 155.46 o 0 2 0 61834.77 63003.67 829.82 o 1 2 0 12622.44 13170.06 112.04 o 2 2 0 13581.08 13195.97 111.34 o 3 2 0 17152.84 18057.27 165.96 o 4 2 0 12589.16 13601.42 126.05 o 5 2 0 13090.68 13859.83 131.65 o 6 2 0 9587.40 9490.82 105.04 o 7 2 0 16933.98 16209.25 164.56 o 8 2 0 14774.25 13858.43 152.66 o 9 2 0 8567.06 8245.03 114.14 o 10 2 0 1012.23 975.48 63.72 o 11 2 0 370.23 116.25 67.93 o 12 2 0 1057.54 986.69 77.03 o 13 2 0 1544.62 1616.23 89.64 o 14 2 0 5262.05 4527.27 126.05 o 15 2 0 3979.20 3903.33 132.35 o 16 2 0 2083.19 2278.69 143.56 o 2 3 0 146634.56 153892.97 1212.87 o 3 3 0 41126.19 43297.25 368.34 o 4 3 0 67330.35 72849.52 612.04 o 5 3 0 3686.83 3698.85 58.12 o 6 3 0 20365.06 20942.40 196.78 o 7 3 0 1561.26 1413.85 53.22 o 8 3 0 1218.69 1011.90 53.92 o 9 3 0 11398.31 11334.64 136.55 o 10 3 0 5252.38 5085.39 94.54 o 11 3 0 9744.19 9273.73 136.55 o 12 3 0 4139.68 4244.36 107.84 o 13 3 0 1977.08 1934.86 98.04 o 14 3 0 808.37 656.16 101.54 o 15 3 0 10.13 -133.75 114.84 o 16 3 0 262.18 510.50 130.95 o 1 4 0 93044.38 95738.69 824.92 o 2 4 0 3329.26 3071.40 44.12 o 3 4 0 14632.07 15046.79 142.16 o 4 4 0 2099.17 2278.69 49.72 o 5 4 0 9818.26 9413.79 105.74 o 6 4 0 14615.45 15101.41 151.96 o 7 4 0 42082.30 41957.63 352.94 o 8 4 0 9109.35 9298.24 116.25 o 9 4 0 33141.67 32571.15 301.12 o 10 4 0 42.92 70.03 64.43 o 11 4 0 55.06 -109.24 72.83 o 12 4 0 224.56 201.68 86.13 o 13 4 0 2235.00 2293.40 101.54 o 14 4 0 1205.15 1258.39 105.04 o 15 4 0 5273.89 4893.52 140.76 o 1 5 0 38896.21 40957.64 368.34 o 2 5 0 170.17 252.80 28.01 o 3 5 0 68981.59 68480.51 565.82 o 4 5 0 1726.08 1962.17 46.92 o 5 5 0 18261.99 18339.48 192.58 o 6 5 0 645.00 904.05 50.42 o 7 5 0 906.22 844.53 53.22 o 8 5 0 360.88 414.56 54.62 o 9 5 0 16217.65 16015.97 172.97 o 10 5 0 1195.46 1047.61 71.43 o 11 5 0 16663.78 17628.00 219.89 o 12 5 0 1773.80 1679.26 94.54 o 13 5 0 5278.90 4960.74 123.95 o 14 5 0 950.93 916.66 104.34 o 15 5 0 0.40 -32.21 118.35 o 0 6 0 429.51 440.47 56.72 o 1 6 0 42609.06 43179.61 414.56 o 2 6 0 2598.10 2433.45 44.82 o 3 6 0 1663.27 1488.08 41.32 o 4 6 0 3579.70 3516.08 60.22 o 5 6 0 18181.29 16364.01 170.17 o 6 6 0 2232.41 2040.60 57.42 o 7 6 0 35565.84 35055.02 304.62 o 8 6 0 1765.78 1700.27 63.02 o 9 6 0 22873.58 21978.11 259.80 o 10 6 0 1518.85 1525.20 85.43 o 11 6 0 44.80 -2.80 76.33 o 12 6 0 4.31 235.99 90.34 o 13 6 0 4038.27 3801.09 114.84 o 14 6 0 524.16 664.56 107.84 o 15 6 0 7483.03 7754.14 170.17 o 1 7 0 4569.16 4943.94 82.63 o 2 7 0 3604.01 3404.73 55.32 o 3 7 0 46323.04 46164.17 383.75 o 4 7 0 12600.89 12955.77 133.75 o 5 7 0 24531.11 24051.62 233.89 o 6 7 0 9459.22 9348.66 120.45 o 7 7 0 4382.67 4461.45 78.43 o 8 7 0 1898.54 1742.98 72.13 o 9 7 0 1676.08 1817.21 79.83 o 10 7 0 1555.23 1702.37 82.63 o 11 7 0 7348.01 7251.34 133.75 o 12 7 0 1054.83 1121.14 93.14 o 13 7 0 2385.89 2125.33 108.54 o 14 7 0 31.10 33.61 109.94 o 15 7 0 1.05 -123.25 127.45 o 0 8 0 63049.76 61929.45 970.58 o 1 8 0 21569.91 21476.01 247.20 o 2 8 0 3596.48 3581.90 66.53 o 3 8 0 626.65 628.15 42.02 o 4 8 0 1247.24 1322.82 49.72 o 5 8 0 1816.06 1915.95 58.82 o 6 8 0 11540.68 11229.60 137.95 o 7 8 0 5572.56 5380.91 104.34 o 8 8 0 8213.12 7838.87 128.15 o 9 8 0 580.10 655.46 72.83 o 10 8 0 1108.14 1076.32 80.53 o 11 8 0 771.81 667.36 86.83 o 12 8 0 146.31 -137.60 91.74 o 13 8 0 1130.77 1149.15 105.04 o 14 8 0 2371.34 2406.14 127.45 o 1 9 0 11998.41 12077.63 160.36 o 2 9 0 17787.57 17383.61 219.19 o 3 9 0 7453.90 6741.54 88.93 o 4 9 0 9239.18 8981.02 108.54 o 5 9 0 14569.04 14925.64 165.26 o 6 9 0 8440.29 8078.36 137.25 o 7 9 0 2250.99 1982.48 85.43 o 8 9 0 2770.51 2588.21 84.73 o 9 9 0 1684.85 1626.74 81.23 o 10 9 0 1722.52 1644.24 87.53 o 11 9 0 1320.44 1135.14 91.04 o 12 9 0 3825.76 3825.60 119.05 o 13 9 0 1855.53 2214.27 116.25 o 14 9 0 356.49 239.49 121.85 o 0 10 0 42627.38 43656.49 721.28 o 1 10 0 5564.70 5584.69 112.04 o 2 10 0 7725.37 8136.49 119.05 o 3 10 0 3928.97 4131.62 78.43 o 4 10 0 1424.12 1711.47 59.52 o 5 10 0 511.41 528.01 65.13 o 6 10 0 10517.80 10536.33 161.06 o 7 10 0 5391.03 4936.23 107.14 o 8 10 0 12147.82 12146.26 179.97 o 9 10 0 414.81 552.52 81.23 o 10 10 0 1228.70 1345.93 90.34 o 11 10 0 301.56 500.70 97.34 o 12 10 0 1002.54 995.09 118.35 o 13 10 0 656.92 731.79 126.75 o 14 10 0 4648.42 4484.56 158.26 o 1 11 0 1387.63 1366.94 74.23 o 2 11 0 27251.72 26154.54 287.81 o 3 11 0 2521.99 2118.33 69.33 o 4 11 0 32254.92 31172.71 381.65 o 5 11 0 439.25 259.80 71.43 o 6 11 0 11709.52 11562.23 189.77 o 7 11 0 291.44 369.04 85.43 o 8 11 0 1327.65 1451.67 92.44 o 9 11 0 1.61 237.39 92.44 o 10 11 0 10511.30 9609.86 179.27 o 11 11 0 747.17 771.70 107.84 o 12 11 0 14576.61 14840.91 250.70 o 13 11 0 242.52 271.71 128.85 o 0 12 0 7454.53 7479.63 275.21 o 1 12 0 1464.97 1699.57 116.25 o 2 12 0 3228.82 3110.62 136.55 o 3 12 0 1512.40 1518.89 76.33 o 4 12 0 1798.38 1726.18 83.33 o 5 12 0 3455.66 3397.73 102.94 o 6 12 0 11267.14 11515.31 192.58 o 7 12 0 90.58 41.32 91.74 o 8 12 0 9767.61 9958.60 181.37 o 9 12 0 2710.33 3033.59 115.55 o 10 12 0 988.68 943.27 106.44 o 11 12 0 35.88 209.38 112.04 o 12 12 0 1220.17 1315.11 128.85 o 13 12 0 105.21 102.24 142.86 o 1 13 0 25.24 175.77 101.54 o 2 13 0 6964.44 7307.36 201.68 o 3 13 0 7095.57 7623.19 207.98 o 4 13 0 9138.16 9214.21 232.49 o 5 13 0 3862.94 3936.24 155.46 o 6 13 0 711.38 1095.23 129.55 o 7 13 0 492.58 530.81 110.64 o 8 13 0 244.99 245.80 101.54 o 9 13 0 280.24 406.16 101.54 o 10 13 0 4802.85 4621.81 140.05 o 11 13 0 1787.64 1799.70 123.95 o 12 13 0 3013.16 3221.26 144.96 o 0 14 0 3619.35 3467.06 213.58 o 1 14 0 6273.00 6530.06 194.68 o 2 14 0 2766.36 3025.88 149.86 o 3 14 0 479.49 760.50 133.05 o 4 14 0 2674.02 2628.83 149.16 o 5 14 0 944.41 1167.36 133.75 o 6 14 0 4621.76 4639.32 175.77 o 7 14 0 2632.85 2518.19 149.86 o 8 14 0 4837.53 4609.91 169.47 o 9 14 0 1091.78 1108.53 135.85 o 10 14 0 855.74 859.94 151.26 o 11 14 0 418.42 723.38 156.86 o 1 15 0 1454.69 1624.64 135.15 o 2 15 0 1632.50 1690.46 140.05 o 3 15 0 12035.64 12294.01 297.62 o 4 15 0 6072.84 5849.39 203.08 o 5 15 0 8424.30 8882.28 247.20 o 6 15 0 376.72 119.75 135.15 o 7 15 0 926.76 780.11 144.26 o 8 15 0 5.94 -185.57 134.45 o 9 15 0 442.29 422.27 144.26 o 10 15 0 1594.78 1513.29 168.07 o 11 15 0 3450.74 3205.86 188.37 o 0 16 0 3217.61 2660.34 221.29 o 1 16 0 12996.27 12911.66 306.02 o 2 16 0 1660.49 1596.63 149.86 o 3 16 0 1842.49 1850.12 149.86 o 4 16 0 209.49 500.00 171.57 o 5 16 0 1392.41 1329.12 156.86 o 6 16 0 19.49 103.64 147.06 o 7 16 0 8517.51 8528.64 226.19 o 8 16 0 385.87 189.77 150.56 o 9 16 0 3282.40 3119.72 169.47 o 10 16 0 22.01 362.74 172.27 o 1 17 0 3785.63 3748.57 183.47 o 2 17 0 444.81 337.53 142.86 o 3 17 0 10702.29 10235.21 278.01 o 4 17 0 1160.03 1188.37 168.07 o 5 17 0 5871.80 6142.81 229.69 o 6 17 0 1504.45 1128.14 170.17 o 7 17 0 209.33 46.22 149.86 o 8 17 0 79.48 162.46 158.26 o 9 17 0 977.58 1077.02 173.67 o 0 18 0 66.11 189.77 226.19 o 1 18 0 4887.96 5312.28 209.38 o 2 18 0 187.30 103.64 156.86 o 3 18 0 19.87 -28.71 159.66 o 4 18 0 201.33 379.55 170.17 o 5 18 0 749.96 871.84 182.07 o 6 18 0 1000.51 1224.08 188.37 o 7 18 0 3209.32 3385.83 187.67 o 1 19 0 291.66 384.45 177.87 o 2 19 0 1227.66 1275.20 177.17 o 3 19 0 1129.66 1121.84 182.77 o 4 19 0 2080.12 1957.27 186.97 o 5 19 0 2791.00 2996.47 205.88 o 6 19 0 255.27 255.60 217.79 o 0 20 0 1300.21 1197.47 289.21 o 1 20 0 2666.95 3150.53 224.79 o 2 20 0 1013.82 866.24 193.28 o 3 20 0 46.82 415.96 197.48 o -15 0 1 2306.27 2289.20 170.17 o -13 0 1 2624.29 2495.78 130.95 o -11 0 1 11329.40 11854.94 216.38 o -9 0 1 20437.02 20310.75 286.41 o -7 0 1 1261.28 1862.03 74.93 o -5 0 1 31250.91 32689.50 425.77 o -3 0 1 209236.09 219208.94 2296.90 o -1 0 1 60607.99 56172.50 1792.00 o 1 0 1 26951.71 26337.31 331.93 o 3 0 1 17761.95 17930.52 183.47 o 5 0 1 54701.92 55415.50 532.91 o 7 0 1 60.88 -75.63 50.42 o 9 0 1 3309.26 3489.47 109.24 o 11 0 1 11682.26 12151.16 221.99 o 13 0 1 5884.01 5794.07 164.56 o 15 0 1 753.41 883.05 176.47 o -16 1 1 1169.71 1130.94 147.76 o -15 1 1 6935.52 7113.39 157.56 o -14 1 1 1052.08 883.05 100.84 o -13 1 1 2452.06 2537.09 92.44 o -12 1 1 73.84 -21.71 75.63 o -11 1 1 21.33 -99.79 66.53 o -10 1 1 2217.87 1982.48 70.03 o -9 1 1 18452.07 17737.24 186.27 o -8 1 1 3988.75 4137.22 74.93 o -7 1 1 39348.22 38770.68 334.73 o -6 1 1 20898.04 22233.00 211.48 o -5 1 1 239.80 309.52 33.61 o -4 1 1 1611.31 1849.42 39.92 o -3 1 1 690.19 961.48 30.11 o -2 1 1 553.56 754.90 19.61 o -1 1 1 158053.22 158927.92 1176.46 o 0 1 1 13145.29 7604.28 1393.55 o 1 1 1 88032.07 82004.91 8392.79 o 2 1 1 34017.61 33683.89 263.30 o 3 1 1 17729.63 18969.73 156.16 o 4 1 1 11859.27 11868.95 114.84 o 5 1 1 1386.91 1286.40 36.41 o 6 1 1 12969.31 13452.97 142.86 o 7 1 1 62373.73 61514.89 484.59 o 8 1 1 16890.34 16422.83 175.07 o 9 1 1 16233.39 15623.82 172.27 o 10 1 1 1952.18 1735.98 68.63 o 11 1 1 1512.63 1389.34 74.93 o 12 1 1 17.56 28.01 74.23 o 13 1 1 6090.51 6063.67 118.35 o 14 1 1 603.34 670.86 101.54 o 15 1 1 7997.72 8140.69 186.97 o 16 1 1 2094.35 2231.77 145.66 o -16 2 1 173.43 177.87 133.05 o -15 2 1 879.97 549.72 116.25 o -14 2 1 82.39 135.85 99.44 o -13 2 1 2180.38 2125.33 88.93 o -12 2 1 5789.08 5774.46 116.25 o -11 2 1 4002.40 3679.94 88.23 o -10 2 1 13202.70 12817.12 153.36 o -9 2 1 10947.55 10904.67 135.15 o -8 2 1 1883.93 1876.03 59.52 o -7 2 1 251.74 201.68 46.22 o -6 2 1 2258.83 2275.89 53.22 o -5 2 1 10973.46 11184.08 114.14 o -4 2 1 3073.04 2623.93 46.92 o -3 2 1 58293.82 60441.36 475.49 o -2 2 1 29495.34 32779.84 257.00 o -1 2 1 3438.75 3789.88 42.72 o 0 2 1 10185.40 9090.96 88.23 o 1 2 1 14503.29 14509.68 141.46 o 2 2 1 506.78 542.01 19.61 o 3 2 1 2171.33 2323.51 37.81 o 4 2 1 20725.50 21212.01 184.17 o 5 2 1 13343.99 13092.33 125.35 o 6 2 1 290.93 336.83 39.92 o 7 2 1 1508.57 1411.05 52.52 o 8 2 1 429.63 530.81 51.82 o 9 2 1 7754.39 7740.83 105.04 o 10 2 1 7214.66 7060.16 112.74 o 11 2 1 9005.40 8612.67 128.85 o 12 2 1 3266.33 2979.67 90.34 o 13 2 1 2738.44 2806.70 105.04 o 14 2 1 713.42 790.61 100.14 o 15 2 1 991.92 1028.70 114.84 o 16 2 1 79.81 229.69 141.46 o -16 3 1 2369.10 2364.13 137.25 o -15 3 1 1413.81 1287.10 119.05 o -14 3 1 776.97 638.65 102.24 o -13 3 1 1332.33 1430.66 98.74 o -12 3 1 1157.75 1263.99 79.13 o -11 3 1 1149.38 1044.81 72.13 o -10 3 1 7171.04 7012.55 114.14 o -9 3 1 5153.27 4782.17 89.64 o -8 3 1 7674.40 7231.73 101.54 o -7 3 1 34100.85 34489.20 296.22 o -6 3 1 15343.92 14109.83 142.86 o -5 3 1 6029.55 5770.96 77.03 o -4 3 1 6426.53 7183.41 77.03 o -3 3 1 3442.83 3065.10 46.22 o -2 3 1 14750.25 14991.47 131.65 o -1 3 1 36004.46 37897.44 297.62 o 0 3 1 657.72 845.23 22.41 o 1 3 1 3363.41 3622.52 49.02 o 2 3 1 5965.68 5672.92 63.72 o 3 3 1 2259.90 2276.59 37.11 o 4 3 1 13914.43 13518.09 123.95 o 5 3 1 317.33 332.63 37.11 o 6 3 1 18916.15 18667.21 175.07 o 7 3 1 21121.54 21742.11 207.28 o 8 3 1 19770.53 19536.25 202.38 o 9 3 1 2724.22 2602.92 70.73 o 10 3 1 3601.51 3565.80 86.13 o 11 3 1 294.41 256.30 70.03 o 12 3 1 1422.48 1310.91 85.43 o 13 3 1 2487.51 2352.92 102.24 o 14 3 1 2720.85 2827.01 115.55 o 15 3 1 1510.94 1490.88 119.75 o 16 3 1 4406.64 4612.71 163.16 o -15 4 1 231.55 350.84 116.25 o -14 4 1 342.24 151.26 102.94 o -13 4 1 2900.07 2633.03 105.04 o -12 4 1 9654.14 9856.36 163.16 o -11 4 1 8880.42 8829.76 132.35 o -10 4 1 23345.79 22905.27 231.09 o -9 4 1 4179.57 4393.52 86.13 o -8 4 1 892.80 899.85 57.42 o -7 4 1 685.10 836.13 50.42 o -6 4 1 4549.38 4803.88 79.83 o -5 4 1 43766.36 44346.27 350.14 o -4 4 1 29521.58 30894.00 280.81 o -3 4 1 6837.50 6899.10 81.23 o -2 4 1 14811.28 15850.71 135.85 o -1 4 1 1633.72 1467.07 30.81 o 0 4 1 113222.98 113344.27 974.08 o 1 4 1 420.17 446.07 28.71 o 2 4 1 16052.75 15253.37 134.45 o 3 4 1 35942.42 35883.45 306.02 o 4 4 1 54387.96 55602.48 418.76 o 5 4 1 24232.38 25844.32 235.99 o 6 4 1 3623.15 3707.25 66.53 o 7 4 1 4110.82 4326.99 79.13 o 8 4 1 4544.27 4675.73 81.93 o 9 4 1 5682.91 5759.05 99.44 o 10 4 1 22227.68 21877.27 226.89 o 11 4 1 8798.87 8651.89 142.86 o 12 4 1 9743.12 9892.07 159.66 o 13 4 1 3118.17 3079.11 110.64 o 14 4 1 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