#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/27/2202778.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_2202778_Fobs loop_ _publ_author_name 'Sakai, Ken' 'Akiyama, Norinobu' 'Mizota, Mina' _publ_section_title ; Bis(2-aminopyridine)(2,2'-bipyridine)platinum(II) dinitrate dihydrate ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m459 _journal_page_last m461 _journal_volume 59 _journal_year 2003 _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 102.876 _cell_angle_gamma 90.000 _cell_length_a 6.7374 _cell_length_b 27.8864 _cell_length_c 13.5619 _exptl_crystal_F_000 1368.00 _reflns_d_resolution_high 0.7516 _[local]_cod_data_source_file ob6255Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' nori51 in P2(1)/n 2003/06/03 22:14:11 031 KENX' _shelx_refln_list_code 4 _shelx_f_calc_maximum 449.54 _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 202086.06 207671.08 1034.88 o 4 0 0 13008.21 12706.61 360.43 o 6 0 0 899.13 564.57 98.41 o 8 0 0 2642.25 2579.58 220.82 o 1 1 0 59072.12 62016.60 1840.29 o 2 1 0 61913.05 65153.98 393.97 o 3 1 0 13134.91 12964.48 215.38 o 4 1 0 52811.46 55365.92 520.33 o 5 1 0 25.44 0.99 60.24 o 6 1 0 18355.57 17459.31 610.63 o 7 1 0 811.90 723.68 82.15 o 8 1 0 1915.81 1860.43 121.89 o 1 2 0 18445.24 18767.31 434.20 o 2 2 0 67138.98 68976.59 337.10 o 3 2 0 29942.54 31002.08 466.34 o 4 2 0 3983.01 4048.86 118.96 o 5 2 0 22445.21 21448.82 304.15 o 6 2 0 5.45 -21.84 44.54 o 7 2 0 4448.75 4483.35 227.47 o 8 2 0 215.43 177.28 60.25 o 1 3 0 26418.81 30241.80 1685.42 o 2 3 0 569.87 566.16 35.37 o 3 3 0 20682.41 20560.77 225.96 o 4 3 0 1133.93 925.60 63.63 o 5 3 0 186.28 179.46 48.25 o 6 3 0 2021.05 1895.77 130.12 o 7 3 0 1396.72 1502.71 188.82 o 8 3 0 31.41 21.09 50.13 o 0 4 0 57723.16 77106.64 18388.92 o 1 4 0 9.31 50.88 11.77 o 2 4 0 8839.32 8470.26 208.22 o 3 4 0 3960.62 3709.24 103.55 o 4 4 0 223.31 150.09 37.10 o 5 4 0 1110.36 1086.97 88.62 o 6 4 0 778.36 622.29 79.62 o 7 4 0 403.41 302.87 73.12 o 8 4 0 1449.01 1489.47 131.78 o 1 5 0 1304.73 1354.60 100.95 o 2 5 0 24111.37 26833.59 1325.66 o 3 5 0 6179.45 6116.42 107.64 o 4 5 0 18169.54 18215.23 320.80 o 5 5 0 57.29 36.85 36.02 o 6 5 0 4565.82 4502.72 175.57 o 7 5 0 255.31 319.08 91.71 o 8 5 0 646.52 844.05 194.04 o 0 6 0 2393.58 2738.23 641.86 o 1 6 0 10552.65 10208.27 1030.67 o 2 6 0 12405.61 13213.73 909.43 o 3 6 0 28468.67 29375.69 1253.94 o 4 6 0 377.95 419.94 49.81 o 5 6 0 11186.76 10558.31 272.20 o 6 6 0 457.32 513.73 91.53 o 7 6 0 2446.14 2572.37 177.79 o 8 6 0 316.17 472.26 115.47 o 1 7 0 52855.57 58924.66 6505.02 o 2 7 0 479.58 672.32 61.41 o 3 7 0 16037.70 15813.59 615.31 o 4 7 0 516.18 559.12 53.90 o 5 7 0 21.09 30.07 44.56 o 6 7 0 801.59 832.64 108.14 o 7 7 0 1361.11 1434.06 141.66 o 8 7 0 113.91 106.78 86.15 o 0 8 0 13561.03 16990.06 3252.25 o 1 8 0 89.45 87.72 24.14 o 2 8 0 14336.28 14496.02 1096.98 o 3 8 0 2259.93 2038.70 130.88 o 4 8 0 1426.48 1443.26 152.70 o 5 8 0 4100.82 3756.07 172.12 o 6 8 0 302.87 358.21 100.23 o 7 8 0 794.53 867.40 125.93 o 8 8 0 784.95 1060.52 187.00 o 1 9 0 1170.03 1290.69 138.27 o 2 9 0 8044.40 8288.04 757.46 o 3 9 0 1513.02 1616.50 162.52 o 4 9 0 14876.95 15078.97 1064.24 o 5 9 0 18.49 15.56 42.54 o 6 9 0 5010.37 4991.07 220.46 o 7 9 0 127.44 150.99 72.52 o 8 9 0 989.94 1194.08 158.70 o 0 10 0 7791.84 9085.85 1250.64 o 1 10 0 1943.50 1771.49 214.41 o 2 10 0 14664.50 15616.77 1605.59 o 3 10 0 8109.60 8344.64 582.57 o 4 10 0 1517.35 1524.18 142.50 o 5 10 0 7078.93 6825.53 233.65 o 6 10 0 108.48 142.50 65.32 o 7 10 0 1332.36 1576.76 148.94 o 8 10 0 473.01 529.78 119.11 o 1 11 0 38119.90 41632.71 4635.74 o 2 11 0 464.94 424.40 67.10 o 3 11 0 5163.72 5003.55 353.49 o 4 11 0 201.06 236.19 47.62 o 5 11 0 1.10 -8.32 44.86 o 6 11 0 77.66 116.76 61.15 o 7 11 0 1209.63 1297.94 137.66 o 8 11 0 3.48 35.01 72.22 o 0 12 0 3202.10 3103.58 569.16 o 1 12 0 590.75 717.27 110.00 o 2 12 0 6481.95 6683.21 683.17 o 3 12 0 9131.15 9569.67 997.29 o 4 12 0 651.84 770.35 74.76 o 5 12 0 6692.03 6624.20 240.83 o 6 12 0 54.74 91.73 63.82 o 7 12 0 1678.08 1754.33 157.00 o 8 12 0 338.49 317.41 103.98 o 1 13 0 646.03 644.48 69.11 o 2 13 0 8790.84 8733.25 841.57 o 3 13 0 98.00 98.30 36.86 o 4 13 0 12763.43 13248.91 1157.51 o 5 13 0 77.61 126.81 61.88 o 6 13 0 5187.63 5284.45 240.20 o 7 13 0 16.35 -0.27 63.83 o 0 14 0 22675.77 25922.26 2918.61 o 1 14 0 367.13 458.31 63.99 o 2 14 0 11194.66 11927.83 1450.99 o 3 14 0 4144.61 4533.66 539.32 o 4 14 0 1193.89 1341.45 173.33 o 5 14 0 3616.50 3860.07 196.13 o 6 14 0 309.37 345.09 87.69 o 7 14 0 561.83 619.60 120.20 o 1 15 0 39773.02 41735.57 4123.03 o 2 15 0 306.71 351.42 59.05 o 3 15 0 6018.78 6159.76 732.55 o 4 15 0 649.94 812.83 86.19 o 5 15 0 4.87 -3.89 49.95 o 6 15 0 514.51 577.86 106.19 o 7 15 0 792.76 817.92 135.35 o 0 16 0 9707.39 10107.75 973.76 o 1 16 0 1971.13 1825.22 299.23 o 2 16 0 2996.25 3240.99 327.91 o 3 16 0 11946.01 12674.21 1402.89 o 4 16 0 89.99 104.97 48.64 o 5 16 0 7616.28 7680.22 282.82 o 6 16 0 118.51 153.77 74.89 o 7 16 0 2122.75 2415.89 195.41 o 1 17 0 5189.81 5735.08 903.79 o 2 17 0 7728.11 7154.63 978.10 o 3 17 0 1997.20 2096.83 236.81 o 4 17 0 10160.49 11227.94 1129.67 o 5 17 0 28.76 21.80 57.07 o 6 17 0 4521.95 4919.95 265.51 o 7 17 0 92.15 162.78 81.86 o 0 18 0 22592.90 22239.38 602.48 o 1 18 0 5.34 38.32 38.32 o 2 18 0 16334.76 16703.75 1387.39 o 3 18 0 373.26 412.28 72.98 o 4 18 0 1582.26 1980.07 341.25 o 5 18 0 661.04 678.51 116.00 o 6 18 0 299.97 234.94 89.63 o 7 18 0 172.06 260.35 91.85 o 1 19 0 14412.47 13804.17 1098.81 o 2 19 0 2877.09 2941.96 280.88 o 3 19 0 4596.91 4830.76 411.68 o 4 19 0 3792.37 4201.49 460.43 o 5 19 0 0.46 -20.36 52.89 o 6 19 0 1552.83 1688.97 164.83 o 7 19 0 450.89 513.16 121.30 o 0 20 0 44.40 23.21 66.65 o 1 20 0 1974.83 2085.52 152.74 o 2 20 0 117.59 144.87 54.49 o 3 20 0 12391.56 12823.46 913.33 o 4 20 0 22.52 35.82 48.18 o 5 20 0 6574.15 6494.98 287.09 o 6 20 0 11.04 48.51 70.84 o 7 20 0 1835.66 2000.31 194.90 o 1 21 0 9374.47 9566.66 560.69 o 2 21 0 4238.04 4113.64 394.64 o 3 21 0 2341.77 2518.03 274.23 o 4 21 0 4513.78 4932.79 435.74 o 5 21 0 139.25 130.77 74.02 o 6 21 0 1758.95 1796.65 177.51 o 0 22 0 18334.88 17049.78 609.52 o 1 22 0 114.24 169.28 58.61 o 2 22 0 9752.94 9012.17 819.80 o 3 22 0 203.02 220.88 66.32 o 4 22 0 1197.07 1268.29 171.27 o 5 22 0 35.38 105.47 71.45 o 6 22 0 279.51 287.23 100.68 o 1 23 0 5490.84 5245.44 350.30 o 2 23 0 1597.41 1573.18 143.06 o 3 23 0 1424.44 1534.07 182.42 o 4 23 0 3261.26 3144.94 355.20 o 5 23 0 4.57 55.41 65.66 o 6 23 0 1524.47 1678.68 180.41 o 0 24 0 142.20 138.00 101.22 o 1 24 0 1775.24 1764.64 161.26 o 2 24 0 63.87 49.94 51.72 o 3 24 0 3902.14 4155.74 321.44 o 4 24 0 1.53 -7.06 53.90 o 5 24 0 4079.93 3948.31 250.22 o 6 24 0 10.17 43.55 78.27 o 1 25 0 7044.58 6530.40 292.48 o 2 25 0 739.36 769.58 109.18 o 3 25 0 1365.30 1492.18 137.19 o 4 25 0 1280.72 1520.92 138.61 o 5 25 0 0.32 -0.48 75.06 o 6 25 0 646.06 647.54 198.48 o 0 26 0 11033.19 9806.88 503.86 o 1 26 0 57.20 61.51 59.42 o 2 26 0 5592.14 5741.66 599.56 o 3 26 0 419.12 508.49 97.51 o 4 26 0 685.40 884.53 124.20 o 5 26 0 184.48 173.22 92.62 o 1 27 0 2033.47 1789.94 171.35 o 2 27 0 2450.80 2550.21 168.18 o 3 27 0 411.83 404.87 94.51 o 4 27 0 3602.72 3668.27 329.64 o 5 27 0 9.58 -5.56 81.59 o 0 28 0 1004.03 901.57 202.93 o 1 28 0 1001.66 1044.32 150.44 o 2 28 0 1025.84 1025.46 157.22 o 3 28 0 3295.58 3469.40 276.08 o 4 28 0 69.67 100.38 84.65 o 5 28 0 2391.42 2203.62 217.21 o 1 29 0 7039.30 6564.54 310.11 o 2 29 0 226.88 207.19 95.04 o 3 29 0 1854.03 1844.34 156.44 o 4 29 0 222.34 169.85 98.04 o 0 30 0 3796.97 3135.98 313.03 o 1 30 0 83.52 212.86 89.56 o 2 30 0 2902.17 2838.28 221.26 o 3 30 0 905.79 1075.96 141.91 o 4 30 0 254.16 338.99 123.01 o 1 31 0 52.77 1.00 66.11 o 2 31 0 1469.69 1458.71 256.87 o 3 31 0 1.10 52.62 75.85 o 4 31 0 2705.12 2738.27 357.96 o 0 32 0 2800.32 2847.88 316.49 o 1 32 0 233.59 310.63 102.32 o 2 32 0 1406.28 1509.15 183.10 o 3 32 0 1153.83 1135.70 180.84 o 1 33 0 4387.40 4156.64 267.42 o 2 33 0 2.44 -45.09 67.62 o 3 33 0 1194.65 1220.77 272.30 o 0 34 0 1150.10 1163.25 248.84 o 1 34 0 147.06 175.70 92.65 o 2 34 0 641.72 657.41 148.99 o -7 0 1 7091.57 6807.80 263.21 o -5 0 1 13575.10 13614.59 406.35 o -3 0 1 14510.39 14103.88 303.16 o -1 0 1 16120.23 15626.57 173.80 o 1 0 1 73460.44 90434.76 16813.52 o 3 0 1 48716.05 49138.82 614.21 o 5 0 1 29803.93 31057.13 647.78 o 7 0 1 3001.05 2806.41 185.72 o -8 1 1 1141.91 1438.49 107.42 o -7 1 1 19.33 -30.90 36.98 o -6 1 1 5139.41 5230.56 171.78 o -5 1 1 2635.91 2323.21 103.29 o -4 1 1 10769.22 10817.26 224.98 o -3 1 1 23026.78 23373.61 275.11 o -2 1 1 2000.68 1885.96 65.11 o -1 1 1 71393.92 70179.27 319.69 o 1 1 1 48027.01 56055.11 6145.96 o 2 1 1 26050.67 30316.54 2558.95 o 3 1 1 1216.98 1266.81 79.43 o 4 1 1 17706.48 18094.45 386.72 o 5 1 1 2081.25 2180.60 194.78 o 6 1 1 5334.07 4732.10 174.46 o 7 1 1 2803.43 2733.73 133.69 o 8 1 1 74.13 15.63 52.01 o -8 2 1 719.79 707.67 85.88 o -7 2 1 275.55 217.45 55.69 o -6 2 1 199.87 117.49 50.43 o -5 2 1 516.81 469.95 58.37 o -4 2 1 18355.82 18645.43 469.72 o -3 2 1 88.68 115.51 25.24 o -2 2 1 93866.59 94309.48 649.37 o -1 2 1 506.16 451.99 26.04 o 1 2 1 65.43 79.34 13.30 o 2 2 1 24009.31 27696.02 2794.99 o 3 2 1 4873.86 5067.71 143.58 o 4 2 1 13.64 23.21 55.30 o 5 2 1 425.48 388.51 60.26 o 6 2 1 7070.03 6985.50 208.11 o 7 2 1 325.26 156.58 78.07 o 8 2 1 3110.19 3148.42 153.31 o 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59.00 o 7 4 1 620.44 782.10 99.18 o 8 4 1 469.26 442.10 92.31 o -8 5 1 246.30 235.02 135.28 o -7 5 1 59.12 68.30 68.40 o -6 5 1 1297.98 1442.34 102.66 o -5 5 1 2506.61 2399.95 90.63 o -4 5 1 1370.31 1066.33 58.47 o -3 5 1 16215.62 16619.07 386.62 o -2 5 1 663.07 751.13 42.91 o -1 5 1 30017.29 30404.99 1781.40 o 0 5 1 7976.53 9008.62 687.49 o 1 5 1 12602.35 14529.27 1647.26 o 2 5 1 4236.81 4611.83 480.15 o 3 5 1 210.59 154.25 25.82 o 4 5 1 1299.93 1306.61 63.22 o 5 5 1 698.93 709.85 71.35 o 6 5 1 486.77 385.30 70.37 o 7 5 1 2384.20 2251.91 137.64 o 8 5 1 3.88 -58.26 93.07 o -8 6 1 309.35 335.05 96.16 o -7 6 1 335.97 425.34 96.91 o -6 6 1 787.83 869.59 106.13 o -5 6 1 1264.12 1231.67 80.88 o -4 6 1 11259.34 11294.92 374.36 o -3 6 1 789.39 849.97 53.27 o -2 6 1 49352.18 51830.82 1854.41 o -1 6 1 15348.01 16274.09 1118.14 o 0 6 1 11469.02 12034.50 945.69 o 1 6 1 85.61 152.12 20.26 o 2 6 1 9987.04 13078.31 1303.54 o 3 6 1 2789.17 2803.08 154.98 o 4 6 1 141.27 93.59 29.12 o 5 6 1 705.65 559.95 67.08 o 6 6 1 2958.39 2747.69 136.58 o 7 6 1 115.55 108.06 70.94 o 8 6 1 1768.89 2074.74 247.49 o -8 7 1 1954.43 2223.47 184.47 o -7 7 1 3.74 -18.00 57.65 o -6 7 1 7302.14 7207.76 250.15 o -5 7 1 486.76 547.59 62.69 o -4 7 1 11500.47 11447.74 514.77 o -3 7 1 4673.24 4850.53 172.65 o -2 7 1 145.91 153.97 26.73 o -1 7 1 26382.09 29655.24 2640.28 o 0 7 1 8457.72 8470.10 772.34 o 1 7 1 15644.86 20092.55 2545.76 o 2 7 1 33789.80 41574.70 3868.48 o 3 7 1 131.04 163.65 32.31 o 4 7 1 19056.60 19133.00 1189.56 o 5 7 1 266.81 296.86 68.95 o 6 7 1 2681.10 2826.00 169.99 o 7 7 1 339.52 280.28 91.19 o 8 7 1 94.54 92.16 107.63 o -8 8 1 138.58 163.33 84.55 o -7 8 1 4288.87 4570.37 229.37 o -6 8 1 4.88 13.65 48.43 o -5 8 1 8773.03 8817.26 351.24 o -4 8 1 3184.58 3167.49 110.82 o -3 8 1 5046.43 4888.31 324.23 o -2 8 1 6804.98 7255.97 377.64 o -1 8 1 7098.82 8223.96 752.31 o 0 8 1 19899.98 21937.65 2108.02 o 1 8 1 11647.88 14792.11 1883.00 o 2 8 1 1860.59 1862.14 151.44 o 3 8 1 31937.12 34237.93 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5340.36 466.04 o 3 10 1 7465.66 7738.25 705.38 o 4 10 1 138.27 164.93 43.58 o 5 10 1 4353.90 3967.32 185.24 o 6 10 1 1591.47 1480.89 133.70 o 7 10 1 643.43 588.15 116.48 o 8 10 1 905.34 946.50 216.01 o -8 11 1 1914.36 2265.83 189.50 o -7 11 1 39.12 56.41 62.70 o -6 11 1 7127.78 7353.32 266.98 o -5 11 1 146.68 195.10 50.52 o -4 11 1 8425.08 8297.93 752.17 o -3 11 1 797.86 833.60 113.56 o -2 11 1 22.23 25.14 24.02 o -1 11 1 872.88 999.23 142.07 o 0 11 1 25574.09 27301.80 2001.85 o 1 11 1 78.28 72.25 22.67 o 2 11 1 19273.52 23864.79 2509.03 o 3 11 1 1892.87 2086.40 180.06 o 4 11 1 14475.02 14508.11 1433.94 o 5 11 1 2.86 -37.83 37.83 o 6 11 1 3232.37 3514.54 214.53 o 7 11 1 0.37 -2.56 56.36 o -8 12 1 164.31 189.60 83.75 o -7 12 1 1748.56 1976.30 162.91 o -6 12 1 123.58 175.91 66.84 o -5 12 1 3257.26 3397.05 305.28 o -4 12 1 6217.67 6048.82 373.05 o -3 12 1 110.35 100.65 35.79 o -2 12 1 17064.02 19246.13 1690.34 o -1 12 1 90.59 46.23 29.67 o 0 12 1 31267.66 33305.26 1678.51 o 1 12 1 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