#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:54:58 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180809 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/40/2014003.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_2014003_Fobs loop_ _publ_author_name 'Yokokawa, Kazuo' 'Sakai, Ken' _publ_section_title ; Di-\m-pivalamidato-\k^4^N:O;O:N-bis[(2,2'-bipyridine-\k^2^N,N')(sulfato-\kO)platinum(III)] tetrahydrate in a head-to-tail isomerism ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m244 _journal_page_last m247 _journal_volume 60 _journal_year 2004 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 123.285 _cell_angle_gamma 90.000 _cell_length_a 22.5348 _cell_length_b 11.9796 _cell_length_c 16.4774 _exptl_crystal_F_000 2264.00 _reflns_d_resolution_high 0.7686 _cod_data_source_file gd1315Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' pvam1 in C2/c 2004/03/13 11:01:36 055 KENX' _shelx_refln_list_code 4 _shelx_f_calc_maximum 779.59 _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, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 302629.19 783.98 202.83 o 4 0 0 21314.75 16729.33 1560.38 o 6 0 0 16960.66 12860.71 1594.36 o 8 0 0 154637.66 176900.98 14709.48 o 10 0 0 119516.51 125169.85 8921.52 o 12 0 0 118947.94 126117.12 10032.79 o 14 0 0 109570.13 114278.34 7764.37 o 16 0 0 21679.91 22180.42 1918.80 o 18 0 0 7687.08 9411.23 1097.80 o 20 0 0 11473.77 11464.86 1450.96 o 22 0 0 27494.56 29154.99 4534.68 o 24 0 0 26442.84 26572.11 5721.93 o 3 1 0 64167.53 68059.34 11029.72 o 5 1 0 11275.68 9025.85 852.52 o 7 1 0 35012.98 34159.27 1593.65 o 9 1 0 85079.95 85445.95 4098.31 o 11 1 0 119102.53 120447.83 6667.31 o 13 1 0 96197.53 97094.38 5877.11 o 15 1 0 57567.73 57202.28 3138.69 o 17 1 0 76.00 -366.84 366.84 o 19 1 0 9732.16 9871.46 684.46 o 21 1 0 16896.31 19110.06 2131.40 o 23 1 0 33392.41 33019.18 3564.97 o 0 2 0 188021.28 255714.34 29106.38 o 2 2 0 77800.10 64928.77 10444.56 o 4 2 0 84825.80 102515.21 7369.46 o 6 2 0 4179.65 4187.83 334.03 o 8 2 0 100072.03 102539.40 7215.96 o 10 2 0 99288.51 96574.11 6391.17 o 12 2 0 95479.05 93757.30 4676.43 o 14 2 0 99934.73 103068.87 5426.49 o 16 2 0 8481.54 9127.16 692.06 o 18 2 0 2101.06 1721.15 446.57 o 20 2 0 7152.67 7235.03 1067.17 o 22 2 0 29392.54 30679.35 2404.04 o 24 2 0 20758.03 22522.46 1705.86 o 1 3 0 214921.56 292703.16 14460.55 o 3 3 0 115297.20 141353.94 7088.40 o 5 3 0 22472.86 21309.43 1418.03 o 7 3 0 24956.41 24189.44 1979.62 o 9 3 0 70875.64 69201.47 4442.75 o 11 3 0 136887.30 143398.81 7902.17 o 13 3 0 92832.23 94906.55 4705.35 o 15 3 0 39111.85 40128.28 2622.55 o 17 3 0 2512.89 2572.89 458.09 o 19 3 0 5134.43 4694.12 573.08 o 21 3 0 19488.83 19041.82 2140.03 o 23 3 0 20228.07 22707.39 1396.17 o 0 4 0 147133.58 184940.00 15228.28 o 2 4 0 64697.61 65616.87 2988.82 o 4 4 0 17139.76 15576.64 836.57 o 6 4 0 8685.57 8812.75 772.23 o 8 4 0 31173.29 36169.66 2175.40 o 10 4 0 58623.27 60953.79 3691.80 o 12 4 0 96858.27 97630.99 4881.39 o 14 4 0 47355.29 43668.31 2493.70 o 16 4 0 9469.15 8820.78 643.74 o 18 4 0 1866.75 1967.41 483.71 o 20 4 0 16244.95 17865.40 1495.03 o 22 4 0 22677.74 25962.37 3162.79 o 1 5 0 85872.03 99856.36 5273.49 o 3 5 0 70664.80 67894.59 6766.96 o 5 5 0 1370.62 1333.82 268.15 o 7 5 0 7875.67 9301.27 698.48 o 9 5 0 11584.61 12099.37 1174.79 o 11 5 0 91149.83 99825.81 5846.82 o 13 5 0 45288.27 45765.34 2946.64 o 15 5 0 13366.17 14037.11 1184.26 o 17 5 0 547.20 455.83 397.85 o 19 5 0 8335.32 9215.61 1040.18 o 21 5 0 17872.85 18000.49 1986.09 o 23 5 0 11286.62 10688.35 1884.39 o 0 6 0 70068.50 72815.03 5073.40 o 2 6 0 57687.86 57667.69 4105.91 o 4 6 0 22232.51 24905.45 1891.05 o 6 6 0 1053.62 936.66 262.20 o 8 6 0 1918.72 1704.86 318.24 o 10 6 0 42830.77 41181.85 2942.51 o 12 6 0 50092.78 52921.01 3260.00 o 14 6 0 5725.36 5719.92 511.66 o 16 6 0 2690.62 3181.90 606.66 o 18 6 0 944.84 657.54 577.60 o 20 6 0 10200.32 10379.37 1712.50 o 22 6 0 8509.10 10456.60 1812.10 o 1 7 0 31427.81 30279.82 1225.70 o 3 7 0 29377.45 28259.87 1364.48 o 5 7 0 3395.64 2978.75 382.78 o 7 7 0 11096.96 10881.75 729.59 o 9 7 0 3548.80 3641.06 447.41 o 11 7 0 33340.29 31106.07 1992.85 o 13 7 0 10050.79 9768.89 930.98 o 15 7 0 715.45 491.16 527.23 o 17 7 0 109.94 315.93 540.51 o 19 7 0 4119.95 3460.99 809.30 o 21 7 0 5382.37 5087.51 1350.92 o 0 8 0 14975.11 17065.70 973.96 o 2 8 0 35246.68 35114.11 1663.52 o 4 8 0 1025.54 877.31 380.28 o 6 8 0 19540.98 18772.83 824.21 o 8 8 0 1279.23 635.97 398.99 o 10 8 0 2657.28 3094.36 437.68 o 12 8 0 12335.41 12855.83 2119.12 o 14 8 0 6080.76 5388.13 817.93 o 16 8 0 544.68 1001.45 559.56 o 18 8 0 126.07 353.02 641.11 o 20 8 0 1834.85 1732.50 871.24 o 1 9 0 2000.92 4358.77 510.89 o 3 9 0 2727.20 2216.97 465.45 o 5 9 0 8273.22 7659.03 554.11 o 7 9 0 696.03 863.44 438.08 o 9 9 0 56.25 270.37 718.18 o 11 9 0 3457.06 4933.60 793.72 o 13 9 0 1869.99 1964.68 770.26 o 15 9 0 1051.76 816.37 757.44 o 17 9 0 278.88 -81.92 1064.24 o 19 9 0 320.90 -1220.14 1688.51 o 0 10 0 64.38 469.87 672.03 o 2 10 0 423.33 501.64 462.25 o 4 10 0 67.81 164.38 439.33 o 6 10 0 7.64 -527.07 527.07 o 8 10 0 46.13 -614.82 614.82 o 10 10 0 188.38 -57.34 668.80 o 12 10 0 242.68 816.54 719.67 o 14 10 0 63.74 360.96 783.64 o 16 10 0 219.14 731.73 812.73 o 18 10 0 37.27 -372.77 1084.05 o 1 11 0 53.18 408.09 461.71 o 3 11 0 592.98 346.94 579.23 o 5 11 0 408.25 412.55 601.14 o 7 11 0 76.86 -653.87 653.87 o 9 11 0 85.25 54.84 694.03 o 11 11 0 13.34 106.62 739.78 o 13 11 0 489.77 615.34 795.66 o 15 11 0 5.20 482.85 831.47 o 17 11 0 95.30 1755.73 1093.25 o 0 12 0 114.73 464.19 1002.60 o 2 12 0 1673.92 2903.50 677.87 o 4 12 0 965.91 1222.27 681.72 o 6 12 0 822.24 279.09 638.13 o 8 12 0 650.59 577.23 738.63 o 10 12 0 1907.50 1556.56 812.52 o 12 12 0 3216.88 3766.38 924.68 o 14 12 0 176.37 1157.60 857.57 o 1 13 0 3207.43 4729.54 1366.48 o 3 13 0 4042.28 5120.37 955.21 o 5 13 0 73.71 -779.35 779.35 o 7 13 0 1729.64 2085.97 825.43 o 9 13 0 3321.91 3267.40 953.63 o 11 13 0 6378.85 7406.01 2532.89 o 13 13 0 1580.94 2220.26 988.10 o 0 14 0 7039.42 8138.36 2952.75 o 2 14 0 6470.92 8822.12 1113.90 o 4 14 0 1598.92 1972.03 899.45 o 6 14 0 291.68 -258.08 865.69 o 8 14 0 1185.04 1071.25 961.90 o 10 14 0 5663.65 6781.86 1692.37 o 1 15 0 10205.56 10743.32 1147.45 o 3 15 0 8956.94 8949.32 1167.31 o 5 15 0 616.25 -39.39 920.28 o -25 1 1 634.28 285.45 928.79 o -23 1 1 897.92 245.39 786.88 o -21 1 1 624.81 -12.37 514.06 o -19 1 1 712.49 624.32 460.82 o -17 1 1 204.49 240.72 397.23 o -15 1 1 1578.66 1892.24 410.13 o 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24732.51 24913.11 1177.45 o 2 2 1 785.77 440.13 148.05 o 4 2 1 8792.04 7275.05 728.52 o 6 2 1 149.55 40.16 181.38 o 8 2 1 3465.07 2886.31 329.39 o 10 2 1 23809.65 22601.78 1073.60 o 12 2 1 11065.01 10814.15 564.52 o 14 2 1 1217.24 1458.03 367.31 o 16 2 1 256.36 -27.39 343.97 o 18 2 1 7387.34 7338.48 671.48 o 20 2 1 3456.21 3914.11 786.42 o 22 2 1 2507.36 2958.19 1115.43 o -23 3 1 3780.30 4660.13 1723.81 o -21 3 1 3151.04 2205.26 563.14 o -19 3 1 511.85 230.26 457.89 o -17 3 1 514.93 367.50 398.81 o -15 3 1 14638.13 14487.96 960.31 o -13 3 1 41693.73 41522.11 2372.31 o -11 3 1 6914.86 6381.81 493.52 o -9 3 1 201.78 188.79 297.70 o -7 3 1 2039.44 2500.95 313.84 o -5 3 1 67784.66 64833.04 5694.95 o -3 3 1 15767.52 15742.51 1236.10 o -1 3 1 2304.35 2047.01 211.07 o 1 3 1 101743.88 113359.44 8098.10 o 3 3 1 22631.33 21358.66 2249.50 o 5 3 1 2973.79 2819.14 380.76 o 7 3 1 1194.67 1887.35 281.79 o 9 3 1 62000.71 62159.79 3546.45 o 11 3 1 15244.13 13398.24 822.93 o 13 3 1 6084.47 5999.58 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