#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/27/2212724.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_2212724_Fobs loop_ _publ_author_name 'Read, Benjamin D.' 'Slawin, Alexandra M. Z.' 'Woollins, J. Derek' _publ_section_title ; Bis(diphenylmethylphosphine-\kP)(disulfurdinitrido-\k^2^N,S)platinum(II) dichloromethane solvate ; _journal_coeditor_code WM2095 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m751 _journal_page_last m752 _journal_volume 63 _journal_year 2007 _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 107.160 _cell_angle_gamma 90.000 _cell_length_a 12.7921 _cell_length_b 12.2887 _cell_length_c 18.5643 _exptl_crystal_F_000 1512.00 _reflns_d_resolution_high 0.8301 _[local]_cod_data_source_file wm2095Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' BRDW1 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 436.90 _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 94179.27 94533.66 177.45 o 4 0 0 415.31 519.48 110.60 o 6 0 0 18686.78 18410.38 1398.28 o 8 0 0 68892.34 71245.09 301.75 o 10 0 0 28128.40 28368.45 377.96 o 12 0 0 2180.43 2041.82 364.95 o 14 0 0 1605.09 1928.26 432.38 o 1 1 0 69112.78 73008.79 136.63 o 2 1 0 13605.15 13235.83 262.92 o 3 1 0 1840.25 1166.37 69.35 o 4 1 0 42514.82 38580.19 430.44 o 5 1 0 1298.08 1508.32 111.85 o 6 1 0 1027.54 1108.79 207.22 o 7 1 0 36576.05 35473.00 666.52 o 8 1 0 2323.82 2918.92 133.55 o 9 1 0 25235.81 25806.01 890.19 o 10 1 0 4521.67 4603.98 208.38 o 11 1 0 1986.11 2108.60 435.04 o 12 1 0 4894.25 4790.10 401.62 o 14 1 0 563.62 496.65 352.82 o 0 2 0 13383.38 9868.23 1514.34 o 1 2 0 666.78 576.71 41.82 o 3 2 0 786.18 972.11 82.44 o 5 2 0 21892.83 24034.33 570.39 o 6 2 0 100.87 338.30 128.06 o 7 2 0 205.05 123.48 155.68 o 8 2 0 7012.19 6741.57 231.62 o 9 2 0 3376.02 3637.41 189.88 o 10 2 0 7945.78 8280.43 408.72 o 11 2 0 9966.08 10863.65 267.41 o 12 2 0 4.99 -118.90 377.07 o 13 2 0 5957.46 5805.33 303.78 o 14 2 0 1659.83 2037.54 306.27 o 1 3 0 5557.97 6052.92 82.44 o 2 3 0 6398.96 6532.90 126.21 o 4 3 0 17564.49 18619.62 145.05 o 5 3 0 17.35 109.96 114.15 o 6 3 0 13077.28 14097.42 264.19 o 7 3 0 757.94 788.82 108.72 o 8 3 0 4.60 222.56 137.67 o 9 3 0 159.58 21.19 495.37 o 10 3 0 20834.94 20662.17 509.86 o 11 3 0 217.21 -242.67 242.67 o 12 3 0 28241.38 27605.19 1081.54 o 13 3 0 606.65 540.73 278.53 o 14 3 0 3403.74 2874.16 421.14 o 0 4 0 5844.75 5911.27 530.16 o 1 4 0 5422.76 5693.01 133.92 o 2 4 0 13766.97 13501.09 259.45 o 3 4 0 41615.44 40679.96 1527.07 o 4 4 0 1988.70 1512.65 137.14 o 5 4 0 63781.32 62333.89 1985.46 o 6 4 0 4115.39 3650.13 107.74 o 7 4 0 6180.54 6560.64 286.09 o 8 4 0 18237.01 17880.17 369.59 o 9 4 0 2138.41 2479.73 197.56 o 10 4 0 2982.06 2534.60 247.03 o 11 4 0 16312.29 14918.91 955.19 o 12 4 0 36.42 338.81 501.78 o 13 4 0 8947.40 9028.77 1051.08 o 14 4 0 1170.92 2067.26 473.78 o 2 5 0 24790.13 22437.21 444.14 o 3 5 0 8483.10 9969.66 369.99 o 4 5 0 14532.62 14296.83 1173.58 o 5 5 0 3829.36 3759.72 140.02 o 6 5 0 6467.61 7168.51 283.19 o 7 5 0 24608.47 26316.71 273.20 o 8 5 0 25.08 166.89 125.69 o 9 5 0 24645.28 26261.18 529.38 o 10 5 0 4242.79 4696.71 211.49 o 11 5 0 2658.86 2966.71 345.52 o 12 5 0 4101.03 3909.40 765.73 o 13 5 0 675.76 619.95 271.65 o 1 6 0 31.60 235.04 96.97 o 2 6 0 30854.85 29234.01 713.62 o 3 6 0 1175.14 1189.94 61.59 o 4 6 0 1277.84 1006.78 73.65 o 5 6 0 389.11 373.64 82.63 o 6 6 0 22434.92 23212.76 539.76 o 7 6 0 1722.68 1696.60 112.44 o 8 6 0 14134.55 15444.78 283.19 o 9 6 0 296.77 418.99 319.40 o 10 6 0 8178.34 8165.24 229.54 o 11 6 0 12.82 337.06 170.63 o 12 6 0 14.98 458.51 158.16 o 13 6 0 234.76 307.51 349.25 o 1 7 0 23198.16 19648.76 918.74 o 2 7 0 5016.93 4791.60 157.89 o 3 7 0 4187.28 4704.32 187.74 o 4 7 0 19076.05 19477.20 639.08 o 5 7 0 11872.15 12431.08 233.01 o 6 7 0 2439.14 2968.38 298.79 o 7 7 0 19551.55 19449.30 177.59 o 8 7 0 1801.28 2105.23 237.34 o 9 7 0 6382.34 7916.52 185.00 o 10 7 0 296.45 462.51 166.44 o 11 7 0 2790.10 3091.48 288.95 o 12 7 0 4794.40 4384.60 398.70 o 0 8 0 7118.32 5539.08 539.45 o 1 8 0 8785.75 6486.30 347.38 o 2 8 0 16008.31 13521.00 609.89 o 3 8 0 31539.59 31769.08 654.09 o 4 8 0 524.12 413.66 103.83 o 5 8 0 23850.44 24878.50 726.78 o 6 8 0 11565.32 11456.56 535.13 o 7 8 0 699.73 1093.83 204.04 o 8 8 0 3822.46 4158.70 194.26 o 9 8 0 776.25 928.49 223.52 o 10 8 0 6852.55 7064.46 292.42 o 11 8 0 8715.68 9850.18 777.22 o 12 8 0 1296.33 1138.04 220.90 o 1 9 0 63.16 195.22 98.85 o 2 9 0 10722.09 8256.29 413.36 o 3 9 0 7955.58 7785.68 353.43 o 4 9 0 21784.80 21843.78 841.45 o 5 9 0 1435.71 1529.86 114.60 o 6 9 0 11826.41 12012.91 504.49 o 7 9 0 9.00 296.84 164.94 o 8 9 0 132.76 225.83 153.59 o 9 9 0 943.48 1719.46 266.17 o 10 9 0 10213.32 9837.66 321.18 o 11 9 0 1508.03 1651.51 220.60 o 2 10 0 1653.92 1714.77 59.11 o 3 10 0 4000.29 3703.40 121.14 o 4 10 0 115.00 285.73 64.46 o 5 10 0 11195.05 11042.48 183.24 o 6 10 0 1407.86 1444.00 96.28 o 7 10 0 5485.28 6303.98 159.70 o 8 10 0 8599.81 8481.12 1964.63 o 9 10 0 2953.84 2157.16 241.92 o 3 11 0 2266.85 2282.89 120.83 o 4 11 0 256.49 243.47 75.19 o 5 11 0 1698.94 2075.40 296.22 o 6 11 0 277.23 321.10 175.79 o 7 11 0 11181.29 12929.93 516.39 o 8 11 0 571.35 889.49 202.52 o 9 11 0 12789.45 13529.74 444.80 o 4 12 0 357.90 224.17 364.36 o 5 12 0 13.13 660.10 328.28 o 6 12 0 7879.54 8543.48 386.83 o 7 12 0 758.67 1051.08 361.40 o 8 12 0 10146.26 9963.06 403.99 o 5 13 0 5101.26 4718.32 416.41 o 6 13 0 932.85 865.35 385.65 o 7 13 0 8159.61 7399.54 408.13 o -13 0 1 6600.74 6601.03 410.49 o -11 0 1 25666.76 26569.73 431.20 o -9 0 1 3871.54 4156.40 260.85 o -7 0 1 4679.74 4460.21 367.61 o -5 0 1 28980.46 33489.04 920.65 o -3 0 1 76843.06 84889.11 535.59 o 3 0 1 140844.81 159336.80 1403.32 o 5 0 1 25781.11 27104.93 768.05 o 7 0 1 1049.23 1027.53 310.53 o 9 0 1 870.38 732.26 272.09 o 11 0 1 8700.92 8787.77 385.65 o 13 0 1 4806.87 4421.98 411.09 o -14 1 1 7135.29 7442.71 315.29 o -13 1 1 23.90 316.39 324.73 o -12 1 1 12963.19 13042.15 291.78 o -11 1 1 1148.95 1115.54 239.94 o -10 1 1 11790.43 10984.66 231.87 o -9 1 1 7166.74 7924.64 293.67 o -8 1 1 4180.33 3971.40 130.66 o -7 1 1 17542.77 17875.06 256.87 o -6 1 1 16703.34 16749.52 236.40 o -5 1 1 8335.24 7361.60 190.36 o -4 1 1 81298.91 74181.28 396.73 o -2 1 1 28925.88 27972.59 464.50 o -1 1 1 48058.44 46046.73 1953.10 o 0 1 1 367.45 196.15 61.51 o 1 1 1 14137.34 17545.82 150.12 o 2 1 1 42140.05 46925.70 524.20 o 3 1 1 894.95 626.83 75.94 o 4 1 1 50301.00 55492.89 633.14 o 5 1 1 8249.28 9574.77 211.38 o 6 1 1 48185.31 49764.70 416.80 o 7 1 1 3065.19 3413.56 218.30 o 8 1 1 2.01 -52.79 124.91 o 9 1 1 2827.75 2378.27 307.28 o 10 1 1 10055.45 10797.53 245.21 o 11 1 1 552.26 574.64 249.64 o 12 1 1 7161.80 7306.51 279.93 o 13 1 1 1869.95 1398.92 291.28 o 14 1 1 3439.15 2724.47 1375.21 o -14 2 1 3223.61 3028.16 295.86 o -13 2 1 8463.59 7732.59 424.99 o -12 2 1 1467.26 1528.22 350.46 o -11 2 1 7534.76 8233.49 253.28 o -10 2 1 11901.17 11807.04 612.19 o -9 2 1 86.97 95.64 530.27 o -8 2 1 19078.41 19722.47 375.22 o -7 2 1 24046.66 22759.11 258.41 o -6 2 1 27307.38 27754.62 332.28 o -5 2 1 5220.77 4709.82 98.92 o -4 2 1 3838.02 3089.18 90.75 o -2 2 1 95308.84 89145.90 1468.44 o -1 2 1 25197.88 27963.98 617.48 o 0 2 1 29352.91 13118.37 5224.36 o 1 2 1 1134.85 1145.81 101.25 o 2 2 1 40233.93 39372.67 578.19 o 3 2 1 28557.60 23686.46 405.87 o 4 2 1 1622.79 1236.99 137.42 o 5 2 1 17161.09 16788.83 338.08 o 6 2 1 32989.62 32577.25 476.73 o 7 2 1 7031.64 7937.82 253.40 o 8 2 1 21154.30 21780.58 686.88 o 9 2 1 2458.20 2652.35 189.88 o 10 2 1 16023.31 16007.01 252.70 o 11 2 1 10372.35 11623.82 397.48 o 12 2 1 104.68 -238.23 261.34 o 13 2 1 3890.28 4700.30 336.56 o 14 2 1 7476.00 6951.78 460.18 o -14 3 1 52.07 711.96 293.48 o -13 3 1 3423.46 3232.58 357.56 o -12 3 1 886.70 1701.02 260.55 o -11 3 1 3740.65 4008.48 247.07 o -10 3 1 83.73 163.42 199.06 o -9 3 1 22883.01 22338.56 500.40 o -8 3 1 1068.31 1384.33 124.97 o -7 3 1 24430.81 26080.68 541.56 o -6 3 1 3339.88 4593.19 175.27 o -5 3 1 5453.88 6556.59 191.58 o -4 3 1 7627.81 6261.21 162.77 o -3 3 1 38698.58 37480.59 605.18 o -2 3 1 446.44 842.01 50.86 o -1 3 1 9780.88 8459.41 255.83 o 0 3 1 3331.93 3812.68 93.59 o 1 3 1 48681.56 45643.28 1496.67 o 3 3 1 3805.51 3862.85 100.28 o 4 3 1 181.13 -50.80 70.70 o 5 3 1 15141.85 14181.39 299.32 o 6 3 1 2437.75 2075.03 117.93 o 7 3 1 40514.02 40344.75 597.85 o 8 3 1 471.93 293.71 126.92 o 9 3 1 20621.63 21464.90 229.99 o 10 3 1 1575.66 2334.01 366.13 o 11 3 1 4948.42 4941.63 237.96 o 12 3 1 375.25 331.20 267.16 o 13 3 1 11789.21 10850.63 506.91 o 14 3 1 23.04 674.30 473.19 o -14 4 1 7122.55 7207.86 336.49 o -13 4 1 6314.73 6057.13 281.20 o -12 4 1 65.40 35.14 176.95 o -11 4 1 6775.21 6406.54 1771.11 o -10 4 1 2483.80 2440.40 221.27 o -9 4 1 889.90 802.40 126.58 o -8 4 1 14417.36 15317.13 343.29 o -7 4 1 6065.36 6768.35 201.23 o -6 4 1 11636.47 11247.19 409.71 o -5 4 1 3185.95 2924.94 247.47 o -4 4 1 1224.95 898.87 131.82 o -3 4 1 18668.56 15183.83 373.20 o -2 4 1 27745.05 27448.24 659.13 o -1 4 1 23.20 -10.76 40.30 o 0 4 1 22964.71 22930.13 377.17 o 1 4 1 15437.45 12293.17 261.24 o 2 4 1 2162.36 2627.92 110.73 o 3 4 1 2154.46 2727.78 63.53 o 4 4 1 943.61 1359.72 99.77 o 5 4 1 25312.12 25957.25 591.30 o 6 4 1 15204.13 16368.34 235.28 o 7 4 1 5632.56 5484.98 363.30 o 8 4 1 13430.08 14167.81 294.90 o 9 4 1 5205.77 5806.14 194.87 o 10 4 1 5225.99 5796.84 456.04 o 11 4 1 3580.06 4619.89 448.35 o 12 4 1 214.70 267.62 374.41 o 13 4 1 2137.37 1922.19 424.76 o -14 5 1 7432.22 5853.98 432.97 o -13 5 1 487.27 856.24 297.22 o -12 5 1 11235.18 9278.92 1459.21 o -11 5 1 801.84 1037.00 181.83 o -10 5 1 10956.99 12173.29 647.69 o -9 5 1 2544.27 3156.86 184.47 o -8 5 1 3387.51 3398.82 316.35 o -7 5 1 3800.93 3741.92 173.99 o -6 5 1 29135.57 29357.97 740.45 o -5 5 1 4239.71 4865.28 150.26 o -4 5 1 25528.24 27820.25 797.22 o -3 5 1 1094.05 859.75 57.23 o -2 5 1 18098.76 16542.70 425.43 o -1 5 1 5052.43 5495.89 291.68 o 0 5 1 1787.69 1470.70 98.50 o 1 5 1 9083.33 6935.36 459.77 o 2 5 1 12223.99 11476.35 385.81 o 3 5 1 4259.54 4783.74 182.00 o 4 5 1 32717.49 29809.43 1147.91 o 5 5 1 739.73 556.98 87.74 o 6 5 1 30546.57 32487.38 612.59 o 7 5 1 527.16 646.89 197.13 o 8 5 1 968.93 1286.08 146.45 o 9 5 1 1021.92 971.83 186.28 o 10 5 1 6783.77 7052.60 235.63 o 11 5 1 15.39 32.60 293.45 o 12 5 1 10014.06 8997.92 1317.02 o 13 5 1 443.02 855.28 218.75 o -13 6 1 13226.67 13609.34 883.09 o -12 6 1 5.75 -188.90 322.28 o -11 6 1 11068.21 10666.52 1321.20 o -10 6 1 175.73 118.50 158.61 o -9 6 1 1298.14 1788.61 252.49 o -8 6 1 244.92 532.28 110.13 o -7 6 1 18010.16 18359.49 141.16 o -6 6 1 6.31 69.87 108.77 o -5 6 1 60343.81 61537.64 805.93 o -4 6 1 911.94 1114.57 82.21 o -3 6 1 76669.54 74953.27 728.70 o -2 6 1 3326.68 2790.66 93.09 o -1 6 1 8716.33 6743.20 436.17 o 0 6 1 11660.92 10951.88 338.06 o 2 6 1 8264.85 6857.12 345.86 o 3 6 1 44830.29 44429.90 1323.68 o 4 6 1 1887.47 1801.08 91.26 o 5 6 1 68094.86 69307.06 1444.87 o 6 6 1 99.30 -2.20 120.63 o 7 6 1 7211.61 7869.11 170.59 o 8 6 1 786.13 850.79 131.96 o 9 6 1 2562.68 2897.31 192.30 o 10 6 1 374.57 442.34 174.70 o 11 6 1 13292.73 13819.41 262.62 o 12 6 1 7.67 2.29 348.38 o 13 6 1 12549.80 11585.36 567.52 o -13 7 1 387.54 850.67 260.96 o -12 7 1 9438.58 9602.76 709.78 o -11 7 1 1347.08 1632.26 302.45 o -10 7 1 4638.23 5247.40 219.00 o -9 7 1 928.51 1416.83 200.53 o -8 7 1 1792.02 2017.80 290.87 o -7 7 1 4588.06 4304.98 186.37 o -6 7 1 31479.16 33562.92 565.78 o -5 7 1 12431.00 12163.17 552.00 o -4 7 1 68367.60 74011.72 1110.89 o -3 7 1 2276.04 2150.37 77.55 o -2 7 1 9549.07 9155.13 201.15 o -1 7 1 14176.21 10957.70 699.38 o 0 7 1 56.09 -7.79 62.38 o 1 7 1 8268.79 8098.27 196.06 o 2 7 1 34748.17 30282.93 967.93 o 3 7 1 2094.43 1820.94 70.28 o 4 7 1 67056.95 65583.59 1504.08 o 5 7 1 3339.33 3425.80 88.21 o 6 7 1 11714.50 11057.01 350.97 o 7 7 1 370.55 564.43 139.33 o 8 7 1 636.83 801.15 123.26 o 9 7 1 1893.17 2480.42 158.89 o 10 7 1 6036.21 6714.87 328.68 o 11 7 1 96.25 687.68 220.35 o 12 7 1 10994.35 11493.71 297.62 o -12 8 1 90.81 11.60 325.62 o -11 8 1 2811.27 2981.52 286.88 o -10 8 1 2685.74 3660.01 544.95 o -9 8 1 51.06 583.80 256.71 o -8 8 1 12598.95 13118.68 505.79 o -7 8 1 1222.73 1155.63 224.63 o -6 8 1 10286.47 10493.11 153.05 o -5 8 1 7110.84 7724.71 196.34 o -4 8 1 65.74 98.42 80.76 o -3 8 1 6984.83 6612.94 172.39 o -2 8 1 15523.67 13688.98 284.69 o -1 8 1 2259.71 1898.12 159.56 o 0 8 1 25340.96 21820.86 582.58 o 1 8 1 267.55 322.21 78.09 o 2 8 1 4941.55 3785.79 386.87 o 3 8 1 6143.92 6451.43 246.69 o 4 8 1 7699.47 7678.88 221.38 o 5 8 1 7172.60 6914.34 281.65 o 6 8 1 17822.41 17628.01 474.68 o 7 8 1 1264.15 1242.44 114.93 o 8 8 1 8126.26 7302.20 575.17 o 9 8 1 35.97 348.21 158.27 o 10 8 1 2818.28 3318.34 198.23 o 11 8 1 3114.26 3641.12 308.23 o 12 8 1 140.17 -21.35 249.40 o -11 9 1 1696.76 1578.93 381.92 o -10 9 1 19.21 424.10 318.81 o -9 9 1 13442.91 14117.68 309.35 o -8 9 1 397.75 1078.26 314.10 o -7 9 1 9343.44 8691.38 135.99 o -6 9 1 44.13 122.97 107.93 o -5 9 1 3638.44 3596.02 111.40 o -4 9 1 576.29 581.46 62.61 o -3 9 1 4626.15 4348.93 181.73 o -2 9 1 379.84 334.75 87.90 o -1 9 1 22725.77 19629.04 367.33 o 0 9 1 6980.81 5494.87 548.76 o 1 9 1 14661.46 14278.10 456.48 o 2 9 1 4356.46 3435.99 299.60 o 3 9 1 80.24 29.29 88.31 o 4 9 1 294.65 351.90 61.71 o 5 9 1 2456.24 2273.40 137.91 o 6 9 1 1015.81 1293.75 121.88 o 7 9 1 19977.86 21518.55 810.03 o 8 9 1 298.12 251.05 375.60 o 9 9 1 13149.91 14375.57 302.25 o 10 9 1 1041.02 1701.51 199.63 o -10 10 1 5198.29 4523.72 311.72 o -9 10 1 239.12 380.33 240.14 o -8 10 1 14694.44 16900.36 1149.73 o -7 10 1 3453.12 3578.83 114.60 o -6 10 1 1749.48 1939.54 95.15 o -5 10 1 4137.04 3769.56 184.50 o -4 10 1 826.74 904.37 117.05 o -3 10 1 4951.71 4517.84 185.96 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