#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/98/2229870.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_2229870_Fobs loop_ _publ_author_name 'Barbul, Ioana' 'Varga, Richard A.' 'Silvestru, Cristian' _publ_section_title ; Di-\m-chlorido-bis[chloridobis(dimethyl sulfoxide-\kO)tin(II)] ; _journal_coeditor_code VN2005 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m486 _journal_volume 67 _journal_year 2011 _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 103.728 _cell_angle_gamma 90.000 _cell_length_a 11.1449 _cell_length_b 13.3488 _cell_length_c 8.4394 _exptl_crystal_F_000 672.00 _reflns_d_resolution_high 0.8407 _[local]_cod_data_source_file vn2005Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 474r in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 218.75 _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 25767.47 25744.34 840.45 o 3 0 0 38399.69 37976.02 1211.23 o 4 0 0 11148.42 12227.28 404.30 o 5 0 0 26940.00 28236.64 914.43 o 6 0 0 14080.29 15546.71 519.67 o 7 0 0 117.37 147.51 25.11 o 8 0 0 1402.16 1394.31 72.48 o 9 0 0 5352.95 5847.64 275.82 o 10 0 0 468.14 474.52 66.35 o 11 0 0 1138.52 1186.07 147.84 o 12 0 0 193.98 261.87 75.99 o 1 1 0 5553.50 6190.95 178.72 o 2 1 0 4873.08 5551.03 164.21 o 3 1 0 269.19 295.87 14.73 o 4 1 0 761.07 867.01 32.39 o 5 1 0 90.45 155.94 14.82 o 6 1 0 3214.82 3286.50 90.52 o 7 1 0 185.57 258.13 22.15 o 8 1 0 69.21 81.40 16.89 o 9 1 0 994.30 1061.91 99.76 o 10 1 0 646.17 685.14 51.42 o 11 1 0 146.25 248.27 42.65 o 12 1 0 433.62 581.75 66.21 o 0 2 0 33783.79 32232.33 1233.54 o 1 2 0 646.87 672.28 26.54 o 2 2 0 5427.45 5709.31 134.35 o 3 2 0 10334.95 11014.96 255.41 o 4 2 0 9901.60 11483.93 335.87 o 5 2 0 8909.80 9150.58 221.01 o 6 2 0 1330.15 1344.42 45.90 o 7 2 0 94.20 125.22 16.61 o 8 2 0 954.20 909.47 44.41 o 9 2 0 1045.83 1140.79 52.81 o 10 2 0 235.04 315.12 46.89 o 11 2 0 143.80 186.57 37.29 o 12 2 0 34.35 76.05 33.99 o 1 3 0 20810.96 20668.30 507.83 o 2 3 0 2971.49 3177.73 78.62 o 3 3 0 102.07 175.47 12.85 o 4 3 0 9286.85 9231.97 219.58 o 5 3 0 472.93 502.23 23.00 o 6 3 0 12711.94 13472.86 321.51 o 7 3 0 1659.30 1623.72 54.56 o 8 3 0 17.76 52.09 15.79 o 9 3 0 3528.88 3319.70 125.99 o 10 3 0 1823.57 1703.28 160.43 o 11 3 0 526.95 650.97 62.73 o 12 3 0 1220.57 1170.72 86.07 o 0 4 0 39137.53 36345.17 1388.73 o 1 4 0 1025.23 1052.21 30.87 o 2 4 0 9218.21 9264.28 216.90 o 3 4 0 3323.30 3217.01 82.86 o 4 4 0 107.46 122.20 11.66 o 5 4 0 2815.05 2650.00 74.12 o 6 4 0 4040.00 3873.25 104.84 o 7 4 0 215.48 237.90 26.71 o 8 4 0 335.59 401.76 37.72 o 9 4 0 559.69 635.35 46.44 o 10 4 0 3.55 12.62 25.21 o 11 4 0 748.47 826.36 83.39 o 12 4 0 2.02 22.15 33.29 o 1 5 0 5620.27 5745.14 150.12 o 2 5 0 515.70 486.39 19.69 o 3 5 0 273.89 296.17 15.87 o 4 5 0 8701.04 8819.30 212.22 o 5 5 0 356.70 364.36 20.19 o 6 5 0 2500.32 2445.53 71.68 o 7 5 0 930.93 886.61 56.11 o 8 5 0 306.98 294.96 33.83 o 9 5 0 1280.60 1324.06 66.92 o 10 5 0 270.19 325.09 53.06 o 11 5 0 60.80 30.33 31.89 o 12 5 0 90.94 196.72 75.86 o 0 6 0 20424.68 20720.21 672.70 o 1 6 0 1490.25 1414.51 42.55 o 2 6 0 9025.76 9107.96 216.14 o 3 6 0 11785.67 11928.67 281.38 o 4 6 0 3531.80 3632.96 96.96 o 5 6 0 11766.03 11759.66 282.00 o 6 6 0 5357.48 5366.17 157.53 o 7 6 0 587.19 611.80 35.37 o 8 6 0 3479.41 3224.26 122.54 o 9 6 0 1133.07 1185.49 62.97 o 10 6 0 240.99 362.80 40.56 o 11 6 0 1319.71 1304.45 90.94 o 1 7 0 1371.01 1429.64 44.71 o 2 7 0 153.60 178.37 15.36 o 3 7 0 218.96 274.47 18.99 o 4 7 0 139.46 170.48 16.11 o 5 7 0 427.54 445.53 28.67 o 6 7 0 1181.43 1119.80 60.49 o 7 7 0 564.96 536.88 40.51 o 8 7 0 470.47 505.10 42.63 o 9 7 0 5.15 35.00 27.03 o 10 7 0 227.71 227.65 58.63 o 11 7 0 103.53 129.79 52.31 o 0 8 0 2020.33 1884.37 81.22 o 1 8 0 109.40 148.44 15.14 o 2 8 0 166.06 206.85 18.02 o 3 8 0 2359.05 2253.94 67.01 o 4 8 0 0.93 17.02 11.92 o 5 8 0 1827.54 1746.59 65.56 o 6 8 0 571.46 555.59 35.89 o 7 8 0 11.37 76.81 20.83 o 8 8 0 966.88 819.36 60.00 o 9 8 0 261.59 407.18 51.02 o 10 8 0 275.42 233.92 43.63 o 11 8 0 118.36 170.91 57.88 o 1 9 0 7108.66 7268.81 182.25 o 2 9 0 4163.03 4034.07 109.52 o 3 9 0 454.33 443.33 25.42 o 4 9 0 5130.12 4701.27 142.44 o 5 9 0 1753.98 1634.08 93.67 o 6 9 0 1822.37 1778.11 79.63 o 7 9 0 2357.62 2166.32 109.04 o 8 9 0 14.23 38.54 24.53 o 9 9 0 576.79 586.43 63.28 o 10 9 0 708.77 756.19 64.87 o 0 10 0 808.20 708.80 46.53 o 1 10 0 74.60 113.69 16.46 o 2 10 0 491.41 526.05 28.54 o 3 10 0 346.78 367.78 36.23 o 4 10 0 307.57 357.40 36.83 o 5 10 0 621.54 619.62 43.40 o 6 10 0 744.23 788.13 51.39 o 7 10 0 593.38 579.63 66.82 o 8 10 0 108.18 85.75 30.73 o 9 10 0 27.58 0.00 29.72 o 10 10 0 14.95 56.13 38.21 o 1 11 0 1131.09 1137.85 45.48 o 2 11 0 1653.87 1618.68 73.50 o 3 11 0 397.44 412.69 39.71 o 4 11 0 1164.62 1138.25 61.04 o 5 11 0 94.66 107.29 25.98 o 6 11 0 39.52 49.58 28.28 o 7 11 0 696.47 748.85 62.07 o 8 11 0 36.80 51.86 29.18 o 9 11 0 318.19 388.71 53.88 o 0 12 0 3329.22 3227.65 172.25 o 1 12 0 550.53 654.43 63.73 o 2 12 0 1231.35 1132.14 61.81 o 3 12 0 2029.90 1979.16 89.58 o 4 12 0 1.43 46.15 22.85 o 5 12 0 1209.73 1127.91 64.04 o 6 12 0 1434.19 1219.36 79.42 o 7 12 0 241.17 321.05 47.37 o 8 12 0 613.52 586.49 61.38 o 1 13 0 842.75 933.68 114.75 o 2 13 0 52.99 102.70 32.96 o 3 13 0 0.27 72.39 29.25 o 4 13 0 284.66 456.84 46.75 o 5 13 0 333.45 407.63 46.04 o 6 13 0 285.77 303.44 48.27 o 7 13 0 39.44 87.83 35.55 o 0 14 0 722.04 769.61 135.60 o 1 14 0 665.81 710.53 109.08 o 2 14 0 671.01 763.07 73.22 o 3 14 0 1326.49 1324.90 88.60 o 4 14 0 0.08 53.91 36.03 o 5 14 0 108.41 113.87 51.70 o 6 14 0 406.81 637.55 87.72 o 1 15 0 887.00 1064.58 114.09 o 2 15 0 434.47 630.84 94.80 o 3 15 0 209.00 292.49 53.03 o 4 15 0 584.26 522.75 77.17 o -13 1 1 117.13 152.33 45.55 o -12 1 1 211.98 216.08 45.18 o -11 1 1 1266.48 1267.66 96.23 o -10 1 1 148.71 208.38 30.72 o -9 1 1 7489.81 7899.70 204.90 o -8 1 1 129.82 155.78 22.35 o -7 1 1 1095.28 1155.97 43.90 o -6 1 1 7841.77 8586.86 211.24 o -5 1 1 67.28 60.29 12.97 o -4 1 1 28802.76 29817.22 803.58 o -3 1 1 4424.85 5007.91 131.40 o -2 1 1 2786.51 2825.39 75.32 o -1 1 1 18347.12 17314.37 429.53 o 0 1 1 11700.92 11421.07 505.36 o 1 1 1 15357.68 14973.27 567.22 o 2 1 1 31476.40 29380.33 722.37 o 3 1 1 7454.77 8036.91 199.53 o 4 1 1 15793.08 16493.14 380.50 o 5 1 1 7445.83 7979.44 194.00 o 6 1 1 186.53 233.61 19.73 o 7 1 1 4616.63 4713.66 168.88 o 8 1 1 3494.34 3397.81 203.16 o 9 1 1 523.26 613.28 60.06 o 10 1 1 603.66 686.64 54.02 o 11 1 1 358.13 386.19 45.89 o 12 1 1 117.32 162.60 40.66 o -13 2 1 470.17 478.31 71.28 o -12 2 1 180.25 267.61 44.70 o -11 2 1 84.70 124.24 30.60 o -10 2 1 4453.40 4556.67 162.40 o -9 2 1 8.30 40.16 17.73 o -8 2 1 5899.44 6294.69 165.28 o -7 2 1 1419.03 1335.49 48.07 o -6 2 1 744.93 753.19 31.82 o -5 2 1 11923.25 12427.81 293.92 o -4 2 1 5689.00 5683.67 140.16 o -3 2 1 4953.18 5340.68 139.48 o -2 2 1 11399.61 11670.78 297.57 o -1 2 1 8936.85 9074.57 256.13 o 0 2 1 2546.06 2527.18 78.28 o 1 2 1 27380.89 25690.48 635.86 o 2 2 1 553.37 542.64 18.59 o 3 2 1 21093.95 22069.67 501.52 o 4 2 1 1072.02 1077.92 34.69 o 5 2 1 3092.06 3140.25 84.95 o 6 2 1 4019.05 4096.10 109.22 o 7 2 1 246.52 276.65 30.15 o 8 2 1 3029.87 2897.91 110.61 o 9 2 1 775.91 821.25 51.07 o 10 2 1 18.19 56.09 23.05 o 11 2 1 538.52 587.65 65.15 o 12 2 1 684.87 777.90 74.05 o -12 3 1 0.13 78.22 31.56 o -11 3 1 11.41 16.53 27.18 o -10 3 1 81.44 140.41 26.27 o -9 3 1 2.37 28.31 19.92 o -8 3 1 7.31 16.02 15.50 o -7 3 1 110.86 162.51 20.00 o -6 3 1 1134.29 1161.59 46.52 o -5 3 1 383.02 471.20 22.19 o -4 3 1 307.03 354.24 16.72 o -3 3 1 390.63 479.56 28.38 o -2 3 1 3779.19 3980.85 120.21 o -1 3 1 13887.41 14127.55 320.64 o 0 3 1 17.60 22.49 3.96 o 1 3 1 18.99 46.86 13.57 o 2 3 1 1332.46 1376.43 39.21 o 3 3 1 605.39 579.84 21.65 o 4 3 1 12.42 33.38 11.77 o 5 3 1 297.22 357.25 19.27 o 6 3 1 66.30 96.46 13.22 o 7 3 1 733.54 703.82 36.47 o 8 3 1 274.35 316.70 29.91 o 9 3 1 104.52 165.64 30.50 o 10 3 1 28.57 51.70 28.66 o 11 3 1 5.87 49.82 31.13 o 12 3 1 18.87 75.63 40.14 o -12 4 1 40.43 79.62 62.61 o -11 4 1 38.20 70.86 32.28 o -10 4 1 3112.38 3292.39 197.80 o -9 4 1 4.63 59.55 17.66 o -8 4 1 1422.13 1368.22 73.19 o -7 4 1 1055.36 998.78 54.34 o -6 4 1 119.96 183.82 20.14 o -5 4 1 12794.92 13282.72 312.52 o -4 4 1 1436.72 1689.29 53.83 o -3 4 1 6622.93 6706.60 159.61 o -2 4 1 3221.87 3158.11 85.79 o -1 4 1 47.89 41.12 9.07 o 0 4 1 20657.50 20316.88 461.03 o 1 4 1 3109.36 2993.59 76.36 o 2 4 1 1728.71 1619.39 46.39 o 3 4 1 10307.90 10367.86 244.75 o 4 4 1 2237.24 2102.63 74.52 o 5 4 1 3643.84 3373.43 99.78 o 6 4 1 6205.93 6007.08 154.43 o 7 4 1 1030.87 1092.55 47.26 o 8 4 1 4290.45 4241.27 131.75 o 9 4 1 2346.57 2376.62 118.72 o 10 4 1 51.22 60.12 30.40 o 11 4 1 548.97 539.87 65.15 o 12 4 1 807.04 926.78 77.59 o -12 5 1 324.38 302.04 65.01 o -11 5 1 544.09 603.98 53.85 o -10 5 1 143.62 219.94 61.10 o -9 5 1 3863.47 3872.66 141.34 o -8 5 1 145.14 155.05 21.32 o -7 5 1 3035.97 2896.31 122.70 o -6 5 1 3718.53 3411.96 106.46 o -5 5 1 2307.00 2287.09 64.92 o -4 5 1 16281.55 16012.87 370.78 o -3 5 1 9914.48 10250.28 239.70 o -2 5 1 2804.70 2740.44 70.89 o -1 5 1 7927.41 8015.16 189.80 o 0 5 1 11446.93 11583.94 270.10 o 1 5 1 585.23 498.60 25.55 o 2 5 1 22147.37 22317.61 510.71 o 3 5 1 30.22 53.69 9.16 o 4 5 1 1742.51 1671.36 51.48 o 5 5 1 5527.91 5441.04 140.24 o 6 5 1 254.08 262.16 24.48 o 7 5 1 4696.22 4426.24 134.58 o 8 5 1 540.33 513.08 40.42 o 9 5 1 324.49 466.06 76.35 o 10 5 1 543.03 567.22 63.98 o 11 5 1 356.88 406.57 57.10 o -12 6 1 4.71 157.96 48.66 o -11 6 1 13.17 86.14 31.49 o -10 6 1 1.49 66.68 27.66 o -9 6 1 65.94 134.79 24.51 o -8 6 1 283.32 299.24 29.45 o -7 6 1 2.96 31.40 13.31 o -6 6 1 0.01 19.47 11.35 o -5 6 1 302.05 355.48 25.19 o -4 6 1 3297.72 3041.09 88.55 o -3 6 1 51.07 54.22 9.87 o -2 6 1 9.12 16.24 6.69 o -1 6 1 360.87 367.29 18.10 o 0 6 1 5342.59 5270.29 130.40 o 1 6 1 4879.22 5091.85 127.34 o 2 6 1 101.93 143.83 13.78 o 3 6 1 32.73 34.96 9.51 o 4 6 1 622.90 640.80 27.86 o 5 6 1 1874.83 1816.26 65.31 o 6 6 1 0.11 6.95 12.66 o 7 6 1 321.59 401.78 37.67 o 8 6 1 108.04 128.18 25.37 o 9 6 1 590.75 659.09 64.07 o 10 6 1 45.66 99.17 36.89 o 11 6 1 0.85 0.00 33.18 o -11 7 1 348.39 392.48 54.76 o -10 7 1 433.51 461.93 54.85 o -9 7 1 3710.89 3403.48 154.60 o -8 7 1 350.75 365.89 38.16 o -7 7 1 2299.01 2248.64 91.63 o -6 7 1 10544.10 9936.60 274.31 o -5 7 1 2143.15 1996.87 69.38 o -4 7 1 12556.95 12392.43 329.89 o -3 7 1 14871.18 14939.59 349.75 o -2 7 1 240.43 255.31 16.78 o -1 7 1 15368.17 16038.17 372.90 o 0 7 1 13847.12 13796.88 354.59 o 1 7 1 130.41 136.76 14.50 o 2 7 1 6994.15 7014.70 174.28 o 3 7 1 2450.33 2538.65 73.54 o 4 7 1 278.98 315.36 26.26 o 5 7 1 2922.18 2709.84 100.26 o 6 7 1 612.47 569.18 32.80 o 7 7 1 1130.54 1088.17 64.36 o 8 7 1 621.78 607.78 60.13 o 9 7 1 266.61 227.28 34.37 o 10 7 1 259.80 212.70 44.99 o 11 7 1 95.34 176.32 68.82 o -11 8 1 72.61 84.38 33.76 o -10 8 1 729.20 695.21 61.68 o -9 8 1 179.64 254.97 40.29 o -8 8 1 966.77 933.67 54.98 o -7 8 1 440.63 435.20 38.76 o -6 8 1 3.67 3.07 16.44 o -5 8 1 1860.85 1675.57 73.00 o -4 8 1 3147.65 3061.76 111.48 o -3 8 1 6697.15 6305.90 178.39 o -2 8 1 1635.39 1546.49 49.33 o -1 8 1 774.94 895.85 46.81 o 0 8 1 1917.66 2090.76 62.45 o 1 8 1 7159.45 7158.92 178.55 o 2 8 1 2999.20 2878.36 82.13 o 3 8 1 4526.59 4278.54 162.63 o 4 8 1 122.78 142.95 17.56 o 5 8 1 7.87 45.86 14.85 o 6 8 1 6237.21 5816.26 195.54 o 7 8 1 121.67 196.93 29.20 o 8 8 1 2032.54 1936.99 121.48 o 9 8 1 388.16 421.50 45.33 o 10 8 1 35.75 94.63 48.55 o -10 9 1 98.28 76.96 50.32 o -9 9 1 160.97 189.76 46.48 o -8 9 1 0.41 21.67 24.70 o -7 9 1 87.95 89.74 22.89 o -6 9 1 1181.00 1026.59 55.67 o -5 9 1 213.96 175.56 24.94 o -4 9 1 69.62 79.14 19.23 o -3 9 1 509.93 546.23 35.77 o -2 9 1 2027.06 1922.30 59.92 o -1 9 1 915.41 875.77 35.17 o 0 9 1 468.41 460.18 25.71 o 1 9 1 42.13 50.09 12.06 o 2 9 1 242.14 320.66 33.90 o 3 9 1 2763.35 2550.19 77.67 o 4 9 1 20.64 38.96 19.22 o 5 9 1 106.81 121.15 20.79 o 6 9 1 0.09 27.90 18.59 o 7 9 1 336.72 404.29 41.15 o 8 9 1 73.21 92.87 30.98 o 9 9 1 1.67 0.00 25.54 o 10 9 1 2.14 35.17 52.87 o -10 10 1 277.34 172.79 41.40 o -9 10 1 67.81 96.79 53.49 o -8 10 1 554.47 513.81 57.43 o -7 10 1 305.83 291.71 36.32 o -6 10 1 134.80 167.15 27.57 o -5 10 1 782.96 759.23 64.39 o -4 10 1 1.44 37.51 17.79 o -3 10 1 2583.58 2477.24 98.65 o -2 10 1 1466.80 1383.86 64.49 o -1 10 1 752.58 722.44 37.02 o 0 10 1 4396.10 4424.53 120.93 o 1 10 1 2013.74 1881.90 81.87 o 2 10 1 2724.67 2694.22 81.85 o 3 10 1 5988.55 5555.17 149.29 o 4 10 1 538.49 611.25 37.06 o 5 10 1 1353.20 1285.91 66.52 o 6 10 1 4265.52 3866.92 188.90 o 7 10 1 211.15 268.44 40.18 o 8 10 1 1447.99 1335.67 83.35 o 9 10 1 959.68 1073.05 102.59 o -9 11 1 1041.33 857.35 70.62 o -8 11 1 298.28 416.17 53.52 o -7 11 1 556.70 566.23 51.71 o -6 11 1 1532.94 1529.06 90.96 o -5 11 1 778.21 774.04 51.44 o -4 11 1 2244.90 1962.27 86.68 o -3 11 1 4407.03 4386.48 157.58 o -2 11 1 406.38 415.30 39.92 o -1 11 1 962.54 965.31 53.05 o 0 11 1 3638.20 3850.58 133.33 o 1 11 1 356.44 412.50 34.21 o 2 11 1 4359.46 4105.19 116.83 o 3 11 1 0.41 50.60 17.72 o 4 11 1 37.02 57.60 22.32 o 5 11 1 1058.69 1037.13 140.47 o 6 11 1 228.26 236.27 49.27 o 7 11 1 1437.52 1388.80 85.68 o 8 11 1 22.24 51.73 32.05 o -8 12 1 0.40 61.28 32.92 o -7 12 1 23.71 51.63 30.84 o -6 12 1 117.73 133.79 27.91 o -5 12 1 7.86 45.60 22.43 o -4 12 1 175.42 245.27 34.01 o -3 12 1 107.13 147.94 28.58 o -2 12 1 76.42 131.61 26.49 o -1 12 1 7.42 45.33 20.96 o 0 12 1 428.67 490.65 45.08 o 1 12 1 45.32 69.22 20.62 o 2 12 1 11.01 49.89 31.07 o 3 12 1 346.60 435.85 54.00 o 4 12 1 141.71 213.84 39.05 o 5 12 1 393.36 416.97 51.46 o 6 12 1 3.29 0.00 28.79 o 7 12 1 12.24 29.06 38.08 o 8 12 1 2.02 72.66 39.00 o -7 13 1 853.87 849.29 70.58 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