#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:51:04 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180806 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/37/2013764.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_2013764_Fobs loop_ _publ_author_name 'Burrow, Robert A.' 'Facco, Janaina T.' 'Lang, Ernesto S.' 'Farrar, David H.' 'Lough, Alan J.' _publ_section_title ; trans-Dichloro(dimethyl sulfide-\kS)(pyridine-\kN)platinum(II) ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m7 _journal_page_last m9 _journal_volume 60 _journal_year 2004 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 96.324 _cell_angle_gamma 90.000 _cell_length_a 8.5159 _cell_length_b 5.9128 _cell_length_c 21.5863 _exptl_crystal_F_000 752.00 _reflns_d_resolution_high 0.7696 _cod_data_source_file fg1718Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' k9961 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 325.14 _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+1/2' '-x, -y, -z' 'x, -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 66384.86 62494.97 2366.28 o 3 0 0 76279.66 72054.13 2648.36 o 4 0 0 721.59 752.20 94.02 o 5 0 0 25445.21 25449.31 814.88 o 6 0 0 8914.13 9245.75 313.42 o 7 0 0 6745.38 6581.72 313.42 o 8 0 0 17349.28 19384.72 893.23 o 9 0 0 186.87 15.67 250.73 o 10 0 0 1740.54 1096.95 830.55 o 1 1 0 8037.07 8305.50 266.40 o 2 1 0 158.64 297.74 47.01 o 3 1 0 1609.97 1598.42 78.35 o 4 1 0 6533.88 6597.39 172.38 o 5 1 0 381.20 423.11 94.02 o 6 1 0 3075.41 3165.49 141.04 o 7 1 0 2078.31 2178.23 156.71 o 8 1 0 2177.06 2131.22 203.72 o 9 1 0 1015.44 1096.95 235.06 o 10 1 0 19.34 109.70 297.74 o 0 2 0 59612.33 63921.01 2601.35 o 1 2 0 8875.39 9527.82 282.07 o 2 2 0 8500.76 8227.15 266.40 o 3 2 0 18974.88 18930.27 532.81 o 4 2 0 1023.34 1002.93 94.02 o 5 2 0 10092.57 10170.32 266.40 o 6 2 0 923.48 908.90 125.37 o 7 2 0 4794.01 5030.31 235.06 o 8 2 0 7530.59 7396.60 376.10 o 9 2 0 262.58 266.40 250.73 o 10 2 0 1579.77 1300.67 344.76 o 1 3 0 20810.09 20826.43 673.84 o 2 3 0 8622.22 8321.17 250.73 o 3 3 0 2420.73 2131.22 141.04 o 4 3 0 31681.90 31028.10 955.92 o 5 3 0 237.50 297.74 141.04 o 6 3 0 6967.08 7036.17 235.06 o 7 3 0 8358.59 8321.17 313.42 o 8 3 0 1664.21 1582.75 235.06 o 9 3 0 3298.94 3259.52 313.42 o 10 3 0 637.56 720.85 407.44 o 0 4 0 3.40 673.84 188.05 o 1 4 0 1369.59 1551.40 141.04 o 2 4 0 41.62 203.72 141.04 o 3 4 0 430.25 470.12 156.71 o 4 4 0 120.71 47.01 156.71 o 5 4 0 21.89 219.39 188.05 o 6 4 0 772.28 877.56 172.38 o 7 4 0 1071.99 1285.00 188.05 o 8 4 0 91.46 47.01 235.06 o 9 4 0 2.19 219.39 344.76 o 1 5 0 20930.99 23647.17 955.92 o 2 5 0 10745.58 11173.25 485.79 o 3 5 0 3952.36 3416.22 235.06 o 4 5 0 18113.88 18522.83 720.85 o 5 5 0 1567.70 1426.04 235.06 o 6 5 0 4122.71 3525.92 297.74 o 7 5 0 4351.45 3525.92 297.74 o 8 5 0 95.68 -125.37 391.77 o 0 6 0 3277.19 4105.74 532.81 o 1 6 0 43.67 -62.68 266.40 o 2 6 0 2314.58 2679.70 282.07 o 3 6 0 3102.32 3369.21 297.74 o 4 6 0 841.11 1034.27 297.74 o 5 6 0 2847.46 2899.09 360.43 o 6 6 0 514.62 282.07 376.10 o 1 7 0 1117.09 752.20 391.77 o 2 7 0 475.65 78.35 423.11 o 3 7 0 788.50 423.11 423.11 o 4 7 0 915.32 329.09 407.44 o -10 1 1 2626.01 2585.67 297.74 o -9 1 1 1702.05 1817.81 235.06 o -8 1 1 2799.57 2632.69 203.72 o -7 1 1 23245.24 25182.90 877.56 o -6 1 1 1368.56 1394.70 125.37 o -5 1 1 16590.74 17002.77 438.78 o -4 1 1 55851.76 56399.05 1520.06 o -3 1 1 1125.63 1081.28 62.68 o -2 1 1 21090.56 20748.08 626.83 o -1 1 1 22387.92 22221.13 814.88 o 1 1 1 72939.30 70628.09 2193.91 o 2 1 1 3820.13 4199.76 125.37 o 3 1 1 47033.71 45993.67 1253.66 o 4 1 1 34756.18 36121.09 893.23 o 5 1 1 3046.75 3134.15 109.70 o 6 1 1 10251.64 10185.99 297.74 o 7 1 1 480.65 360.43 156.71 o 8 1 1 11204.31 11361.30 454.45 o 9 1 1 2003.16 1927.50 250.73 o 10 1 1 362.88 360.43 282.07 o -10 2 1 303.31 423.11 329.09 o -9 2 1 813.23 908.90 250.73 o -8 2 1 6542.03 6910.80 313.42 o -7 2 1 15.20 141.04 188.05 o -6 2 1 3710.57 3604.27 156.71 o -5 2 1 6142.97 6142.94 188.05 o -4 2 1 2732.17 2554.33 125.37 o -3 2 1 16660.42 16219.23 423.11 o -2 2 1 64.21 47.01 78.35 o -1 2 1 11251.26 10718.80 329.09 o 0 2 1 23100.25 23036.01 658.17 o 1 2 1 17871.37 18272.10 611.16 o 2 2 1 12654.23 12630.63 376.10 o 3 2 1 647.42 579.82 78.35 o 4 2 1 22795.38 22048.75 595.49 o 5 2 1 5015.40 4951.96 156.71 o 6 2 1 188.70 235.06 125.37 o 7 2 1 12379.47 13100.75 454.45 o 8 2 1 2224.99 2334.94 250.73 o 9 2 1 2234.97 1927.50 250.73 o 10 2 1 2906.74 2805.07 344.76 o -10 3 1 243.48 -203.72 423.11 o -9 3 1 505.28 407.44 297.74 o -8 3 1 267.70 62.68 250.73 o -7 3 1 3069.10 3008.79 235.06 o -6 3 1 1388.67 1614.09 172.38 o -5 3 1 1528.79 1661.10 141.04 o -4 3 1 3041.07 3134.15 172.38 o -3 3 1 1505.45 1582.75 125.37 o -2 3 1 849.96 971.59 125.37 o -1 3 1 45.86 109.70 94.02 o 0 3 1 5612.37 5845.19 188.05 o 1 3 1 5596.54 5594.46 203.72 o 2 3 1 973.25 1222.32 109.70 o 3 3 1 10415.65 10044.95 329.09 o 4 3 1 2391.77 2162.56 156.71 o 5 3 1 1647.78 1237.99 141.04 o 6 3 1 2506.83 2381.95 156.71 o 7 3 1 572.90 438.78 156.71 o 8 3 1 2502.42 2444.64 203.72 o 9 3 1 1337.34 1551.40 297.74 o 10 3 1 248.03 235.06 407.44 o -9 4 1 1770.07 1708.11 360.43 o -8 4 1 6406.95 6315.31 329.09 o -7 4 1 104.78 156.71 172.38 o -6 4 1 10678.64 9825.56 548.48 o -5 4 1 6340.78 5516.11 297.74 o -4 4 1 8253.52 8321.17 297.74 o -3 4 1 30897.93 31341.51 1018.60 o -2 4 1 699.00 673.84 141.04 o -1 4 1 25631.23 27611.87 893.23 o 0 4 1 28206.16 29508.03 955.92 o 1 4 1 3957.54 4262.45 219.39 o 2 4 1 22037.91 25496.32 861.89 o 3 4 1 4919.23 4857.93 219.39 o 4 4 1 14197.47 14699.17 501.46 o 5 4 1 9847.33 10248.67 391.77 o 6 4 1 49.90 -31.34 172.38 o 7 4 1 8273.82 7380.93 344.76 o 8 4 1 1884.49 1582.75 235.06 o 9 4 1 1117.82 1269.33 344.76 o -8 5 1 54.25 376.10 407.44 o -7 5 1 847.87 893.23 266.40 o -6 5 1 4.97 -188.05 266.40 o -5 5 1 332.13 438.78 219.39 o -4 5 1 1642.52 1426.04 219.39 o -3 5 1 2301.32 2413.30 219.39 o -2 5 1 1627.18 1535.73 203.72 o -1 5 1 1886.82 1943.17 188.05 o 0 5 1 474.31 814.88 235.06 o 1 5 1 588.18 658.17 172.38 o 2 5 1 76.28 62.68 188.05 o 3 5 1 821.95 767.87 188.05 o 4 5 1 314.26 235.06 203.72 o 5 5 1 1497.37 1379.03 235.06 o 6 5 1 742.20 752.20 250.73 o 7 5 1 421.80 109.70 297.74 o 8 5 1 387.20 877.56 344.76 o -6 6 1 2727.97 2632.69 470.12 o -5 6 1 1015.32 908.90 329.09 o -4 6 1 1440.52 1394.70 297.74 o -3 6 1 7121.93 6848.12 344.76 o -2 6 1 572.77 438.78 250.73 o -1 6 1 7052.12 7741.35 470.12 o 0 6 1 4582.91 5531.78 407.44 o 1 6 1 119.84 188.05 266.40 o 2 6 1 4722.96 5155.68 391.77 o 3 6 1 591.32 548.48 266.40 o 4 6 1 1281.57 1175.31 313.42 o 5 6 1 4018.30 3040.13 423.11 o 6 6 1 23.45 -62.68 376.10 o -4 7 1 1702.15 1269.33 423.11 o -3 7 1 318.11 282.07 376.10 o -2 7 1 4031.50 4058.73 485.79 o -1 7 1 1447.69 2209.58 407.44 o 0 7 1 2160.17 2867.75 391.77 o 1 7 1 2596.48 3400.55 407.44 o 2 7 1 100.70 141.04 407.44 o 3 7 1 3170.68 3212.50 485.79 o 4 7 1 1009.15 830.55 548.48 o -11 0 2 3241.13 2256.59 579.82 o -10 0 2 523.44 595.49 391.77 o -9 0 2 5371.16 5547.45 470.12 o -8 0 2 2136.33 1958.84 235.06 o -7 0 2 18611.97 21014.48 861.89 o -6 0 2 11742.48 12458.25 438.78 o -5 0 2 440.85 282.07 109.70 o -4 0 2 87769.89 86941.36 3259.52 o -3 0 2 43052.41 44003.48 2146.89 o -2 0 2 19161.10 19698.14 830.55 o 2 0 2 26179.28 24822.47 783.54 o 3 0 2 2574.15 2601.35 94.02 o 4 0 2 89724.60 89323.30 2742.38 o 5 0 2 4984.87 4810.92 172.38 o 6 0 2 5766.08 5531.78 235.06 o 7 0 2 14288.99 15169.29 689.51 o 8 0 2 754.70 736.53 266.40 o 9 0 2 3949.70 3745.31 360.43 o 10 0 2 642.38 297.74 454.45 o -10 1 2 956.53 924.57 297.74 o -9 1 2 355.79 313.42 219.39 o -8 1 2 1296.16 1316.34 172.38 o -7 1 2 1476.08 2444.64 203.72 o -6 1 2 72.71 344.76 125.37 o -5 1 2 1378.75 1488.72 125.37 o -4 1 2 3110.06 2977.44 141.04 o -3 1 2 7949.85 8086.11 203.72 o -2 1 2 3750.10 3807.99 109.70 o -1 1 2 4127.18 4184.09 125.37 o 1 1 2 1846.79 1802.14 62.68 o 2 1 2 2495.48 2538.66 94.02 o 3 1 2 8746.94 8540.56 250.73 o 4 1 2 581.69 658.17 78.35 o 5 1 2 7597.96 7239.89 188.05 o 6 1 2 968.03 783.54 125.37 o 7 1 2 1075.00 971.59 172.38 o 8 1 2 2718.24 2648.36 203.72 o 9 1 2 22.63 -15.67 219.39 o 10 1 2 176.64 219.39 282.07 o -10 2 2 31.64 62.68 329.09 o -9 2 2 1354.13 1802.14 266.40 o -8 2 2 920.21 1190.98 188.05 o -7 2 2 2964.13 3102.81 219.39 o -6 2 2 4328.17 4481.84 219.39 o -5 2 2 681.35 720.85 125.37 o -4 2 2 22089.08 21155.52 642.50 o -3 2 2 8180.53 8054.77 250.73 o -2 2 2 1211.71 1128.29 78.35 o -1 2 2 15770.31 15733.44 564.15 o 0 2 2 2311.64 2632.69 109.70 o 1 2 2 21667.58 20936.13 642.50 o 2 2 2 11972.21 12223.19 344.76 o 3 2 2 6185.07 5860.86 188.05 o 4 2 2 37997.81 39176.89 1065.61 o 5 2 2 4597.67 4419.15 156.71 o 6 2 2 4081.67 4152.75 156.71 o 7 2 2 10058.80 10060.62 329.09 o 8 2 2 32.71 250.73 188.05 o 9 2 2 3666.39 3384.88 282.07 o 10 2 2 641.54 799.21 376.10 o -10 3 2 2253.08 1692.44 407.44 o -9 3 2 130.47 250.73 313.42 o -8 3 2 5680.07 5500.44 329.09 o -7 3 2 5587.64 5516.11 266.40 o -6 3 2 1652.10 1426.04 141.04 o -5 3 2 11222.59 10953.86 391.77 o -4 3 2 3612.15 3666.96 172.38 o -3 3 2 19532.53 18381.80 548.48 o -2 3 2 11175.37 10844.16 329.09 o -1 3 2 51.56 -78.35 94.02 o 0 3 2 49692.19 51932.88 1755.12 o 1 3 2 6406.68 6534.71 203.72 o 2 3 2 7966.51 7694.34 266.40 o 3 3 2 33134.79 33566.76 1065.61 o 4 3 2 8.96 109.70 125.37 o 5 3 2 16416.46 16846.06 517.13 o 6 3 2 5600.18 5265.37 188.05 o 7 3 2 1670.40 1582.75 172.38 o 8 3 2 10159.42 9903.92 391.77 o 9 3 2 237.69 15.67 297.74 o -9 4 2 0.59 -141.04 423.11 o -8 4 2 23.70 470.12 235.06 o -7 4 2 508.72 564.15 188.05 o -6 4 2 24.36 642.50 203.72 o -5 4 2 326.86 485.79 188.05 o -4 4 2 23.62 94.02 156.71 o -3 4 2 459.09 595.49 141.04 o -2 4 2 18.45 94.02 141.04 o -1 4 2 155.42 172.38 141.04 o 0 4 2 709.48 1112.62 156.71 o 1 4 2 4.02 62.68 141.04 o 2 4 2 68.56 219.39 141.04 o 3 4 2 2723.68 2805.07 172.38 o 4 4 2 463.63 470.12 172.38 o 5 4 2 1226.80 1159.64 203.72 o 6 4 2 413.35 313.42 172.38 o 7 4 2 40.27 94.02 188.05 o 8 4 2 33.66 -62.68 235.06 o 9 4 2 21.59 407.44 329.09 o -8 5 2 4616.79 4168.42 423.11 o -7 5 2 3430.11 2836.41 297.74 o -6 5 2 1981.17 1629.76 266.40 o -5 5 2 11455.20 11376.97 517.13 o -4 5 2 859.69 767.87 219.39 o -3 5 2 10960.45 10953.86 470.12 o -2 5 2 13561.35 13946.97 642.50 o -1 5 2 444.29 501.46 172.38 o 0 5 2 25007.43 28254.37 1253.66 o 1 5 2 7824.16 7663.00 438.78 o 2 5 2 5741.39 6330.99 282.07 o 3 5 2 12236.25 12975.39 485.79 o 4 5 2 26.71 125.37 203.72 o 5 5 2 5647.08 5312.39 282.07 o 6 5 2 2248.57 1990.19 219.39 o 7 5 2 1267.29 1190.98 250.73 o 8 5 2 3310.72 3118.48 360.43 o -6 6 2 1798.92 1723.78 391.77 o -5 6 2 216.23 -78.35 360.43 o -4 6 2 2433.96 2601.35 329.09 o -3 6 2 215.63 266.40 250.73 o -2 6 2 2245.05 2084.21 282.07 o -1 6 2 4256.03 4560.19 297.74 o 0 6 2 14.47 125.37 250.73 o 1 6 2 6341.34 7051.84 470.12 o 2 6 2 1507.89 1880.49 313.42 o 3 6 2 401.79 329.09 266.40 o 4 6 2 3428.44 3619.94 329.09 o 5 6 2 40.45 109.70 313.42 o 6 6 2 1572.87 1708.11 391.77 o -4 7 2 6.31 -172.38 407.44 o -3 7 2 224.68 -47.01 391.77 o -2 7 2 830.25 673.84 423.11 o -1 7 2 535.06 783.54 391.77 o 0 7 2 1304.90 1175.31 344.76 o 1 7 2 816.37 1081.28 391.77 o 2 7 2 948.17 517.13 423.11 o 3 7 2 1011.51 877.56 454.45 o 4 7 2 0.07 31.34 501.46 o -10 1 3 768.55 501.46 344.76 o -9 1 3 2744.52 2789.39 266.40 o -8 1 3 15103.59 15686.42 642.50 o -7 1 3 182.82 282.07 141.04 o -6 1 3 12773.49 12818.68 376.10 o -5 1 3 13290.71 13899.96 344.76 o -4 1 3 7187.09 7412.27 203.72 o -3 1 3 82940.89 86392.88 2601.35 o -2 1 3 13905.53 13727.58 376.10 o -1 1 3 30125.68 28959.56 877.56 o 0 1 3 105719.05 93538.74 4090.07 o 1 1 3 73.13 172.38 31.34 o 2 1 3 8618.28 8603.25 250.73 o 3 1 3 11283.95 11329.96 313.42 o 4 1 3 15299.73 15012.58 376.10 o 5 1 3 17468.73 17754.97 423.11 o 6 1 3 289.08 172.38 109.70 o 7 1 3 13702.88 14103.68 517.13 o 8 1 3 5704.69 5328.06 282.07 o 9 1 3 915.68 893.23 219.39 o 10 1 3 2418.30 2193.91 329.09 o -10 2 3 705.60 705.18 344.76 o -9 2 3 1340.97 1143.97 266.40 o -8 2 3 18.43 94.02 203.72 o -7 2 3 7463.04 7678.67 344.76 o -6 2 3 155.83 470.12 156.71 o -5 2 3 2608.75 2648.36 156.71 o -4 2 3 11766.94 11439.65 282.07 o -3 2 3 3715.80 3682.63 141.04 o -2 2 3 6929.02 6472.02 188.05 o -1 2 3 6460.23 6095.92 219.39 o 0 2 3 17116.40 16234.90 548.48 o 1 2 3 24545.12 23506.13 642.50 o 2 2 3 9.02 78.35 62.68 o 3 2 3 20446.02 19995.88 595.49 o 4 2 3 18785.22 18679.54 470.12 o 5 2 3 5159.10 4936.29 156.71 o 6 2 3 10279.89 10734.47 282.07 o 7 2 3 1973.18 1770.80 141.04 o 8 2 3 5801.78 5296.72 329.09 o 9 2 3 1883.92 1629.76 235.06 o 10 2 3 63.47 141.04 313.42 o -10 3 3 597.84 642.50 438.78 o -9 3 3 234.56 0.00 313.42 o -8 3 3 1031.12 987.26 282.07 o -7 3 3 193.26 438.78 203.72 o -6 3 3 389.25 485.79 141.04 o -5 3 3 52.89 376.10 125.37 o -4 3 3 3463.45 3102.81 172.38 o -3 3 3 4208.32 4137.08 172.38 o -2 3 3 27.19 15.67 94.02 o -1 3 3 6450.92 6519.03 219.39 o 0 3 3 4799.85 5187.02 203.72 o 1 3 3 30.89 94.02 94.02 o 2 3 3 6485.65 7067.51 219.39 o 3 3 3 69.84 31.34 109.70 o 4 3 3 6271.16 5923.55 250.73 o 5 3 3 4957.72 4810.92 172.38 o 6 3 3 3.70 78.35 125.37 o 7 3 3 3050.70 2883.42 172.38 o 8 3 3 2598.97 2413.30 188.05 o 9 3 3 7.67 172.38 266.40 o -9 4 3 2730.12 1661.10 454.45 o -8 4 3 599.57 673.84 313.42 o -7 4 3 14302.69 14291.73 595.49 o -6 4 3 1926.90 1880.49 188.05 o -5 4 3 7885.52 7380.93 376.10 o -4 4 3 24662.67 24509.06 955.92 o -3 4 3 77.67 47.01 141.04 o -2 4 3 18001.05 19604.11 689.51 o -1 4 3 13364.38 13539.53 501.46 o 0 4 3 6318.56 6566.05 266.40 o 1 4 3 27296.27 29131.93 1034.27 o 2 4 3 1544.59 1582.75 156.71 o 3 4 3 14444.71 14996.91 454.45 o 4 4 3 12053.30 13038.07 485.79 o 5 4 3 1626.69 1410.37 172.38 o 6 4 3 6627.12 6487.69 282.07 o 7 4 3 992.97 987.26 188.05 o 8 4 3 4730.53 4528.85 297.74 o 9 4 3 2190.17 2225.25 360.43 o -8 5 3 685.32 689.51 438.78 o -7 5 3 46.30 156.71 282.07 o -6 5 3 1243.44 1175.31 282.07 o -5 5 3 1729.21 2037.20 250.73 o -4 5 3 5.61 219.39 203.72 o -3 5 3 1880.09 1849.15 203.72 o -2 5 3 15.97 31.34 188.05 o -1 5 3 605.34 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