#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/10/2011061.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_2011061_Fobs loop_ _publ_author_name 'Razak, Ibrahim Abdul' 'Shanmuga Sundara Raj, S.' 'Fun, Hoong-Kun' 'Yamin, Bohari M.' 'Hashim, Norhayati' _publ_section_title ; Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 664 _journal_page_last 665 _journal_volume 56 _journal_year 2000 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 80.030 _cell_angle_beta 84.420 _cell_angle_gamma 62.920 _cell_length_a 11.6150 _cell_length_b 12.0000 _cell_length_c 13.7890 _exptl_crystal_F_000 1064.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file sk1355Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' SK1355R in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 343.10 _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' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc 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1 0 5315.98 4914.52 334.08 o 8 1 0 1329.02 1490.18 284.26 o 9 1 0 2377.76 2581.81 319.43 o 10 1 0 5484.14 5987.10 430.79 o 11 1 0 3108.66 3354.01 348.73 o 12 1 0 183.76 364.85 319.43 o -11 2 0 31.38 71.80 303.31 o -10 2 0 360.11 416.14 316.50 o -9 2 0 851.06 1052.07 285.73 o -8 2 0 7103.55 7182.76 413.21 o -7 2 0 5800.63 5812.73 328.22 o -6 2 0 747.33 757.55 244.70 o -5 2 0 416.29 506.98 216.86 o -4 2 0 9873.59 9711.82 492.33 o -3 2 0 106.35 109.90 175.83 o -2 2 0 31176.06 31701.16 1204.45 o -1 2 0 24695.62 26587.50 660.00 o 0 2 0 64624.38 64461.22 1165.62 o 1 2 0 22188.94 21164.70 448.89 o 2 2 0 2132.00 2313.66 142.13 o 3 2 0 6643.68 6816.45 313.57 o 4 2 0 34.33 -74.73 175.83 o 5 2 0 541.29 534.82 189.02 o 6 2 0 1036.65 912.86 211.00 o 7 2 0 1780.15 1564.91 237.37 o 8 2 0 1.63 109.90 262.28 o 9 2 0 1620.57 1601.54 303.31 o 10 2 0 574.86 785.39 307.71 o 11 2 0 1647.39 1746.60 317.96 o 12 2 0 1050.60 1295.30 316.50 o 13 2 0 660.73 757.55 341.41 o -10 3 0 49.91 -87.92 294.52 o -9 3 0 235.66 408.81 282.80 o -8 3 0 2465.87 2652.14 328.22 o -7 3 0 12672.96 13555.23 716.52 o -6 3 0 13660.86 14347.94 628.60 o -5 3 0 9537.04 10007.81 473.28 o -4 3 0 3306.80 3034.58 221.26 o -3 3 0 3314.94 3135.68 200.74 o -2 3 0 1949.18 1929.76 169.97 o -1 3 0 22465.04 21543.74 690.52 o 0 3 0 2370.63 2396.11 103.55 o 1 3 0 13449.17 13783.62 478.06 o 2 3 0 100706.91 104548.63 1553.19 o 3 3 0 1168.75 1090.16 165.58 o 4 3 0 3463.18 3318.84 189.02 o 5 3 0 1356.29 1264.53 191.95 o 6 3 0 129.40 174.37 191.95 o 7 3 0 578.31 473.28 227.12 o 8 3 0 26.43 137.74 254.96 o 9 3 0 10509.16 10401.97 509.91 o 10 3 0 9388.06 8643.64 441.05 o 11 3 0 4283.03 4697.66 345.80 o 12 3 0 21.61 153.85 312.10 o 13 3 0 17.86 -190.49 320.89 o -10 4 0 114.76 190.49 307.71 o -9 4 0 756.50 734.10 310.64 o -8 4 0 1095.98 1172.22 307.71 o -7 4 0 58.34 4.40 272.54 o -6 4 0 9163.27 9924.29 439.58 o -5 4 0 569.28 477.68 259.35 o -4 4 0 3072.37 3200.15 243.24 o -3 4 0 91.52 356.06 183.16 o -2 4 0 3339.87 3182.57 190.49 o -1 4 0 7220.35 7184.73 247.10 o 0 4 0 1838.08 1927.83 100.92 o 1 4 0 3435.67 3577.25 111.20 o 2 4 0 17602.11 19093.96 883.56 o 3 4 0 54573.49 55536.74 1415.45 o 4 4 0 31830.17 31223.48 1223.50 o 5 4 0 23659.97 23922.03 1178.08 o 6 4 0 7754.94 7582.78 328.22 o 7 4 0 3724.27 3582.59 244.70 o 8 4 0 18.81 145.06 257.89 o 9 4 0 16.43 83.52 291.59 o 10 4 0 1026.51 1057.93 307.71 o 11 4 0 7210.34 6672.85 364.85 o 12 4 0 1977.80 1957.60 332.62 o 13 4 0 47.13 68.87 312.10 o -9 5 0 17.09 65.94 304.78 o -8 5 0 355.58 435.19 306.24 o -7 5 0 2386.34 2312.20 310.64 o -6 5 0 795.81 1049.13 281.33 o -5 5 0 1256.53 1132.66 290.12 o -4 5 0 1767.45 1646.97 254.96 o -3 5 0 3116.80 3400.90 232.98 o -2 5 0 1.81 -10.26 171.44 o -1 5 0 573.20 542.28 113.75 o 0 5 0 121.80 47.52 97.58 o 1 5 0 3992.30 3587.68 256.42 o 2 5 0 12896.95 9824.65 616.88 o 3 5 0 1109.29 827.88 149.46 o 4 5 0 760.48 687.21 158.25 o 5 5 0 4720.77 5059.58 213.93 o 6 5 0 12397.49 11549.28 528.96 o 7 5 0 2354.55 2224.28 246.17 o 8 5 0 3932.73 3588.45 285.73 o 9 5 0 6662.16 6308.00 383.90 o 10 5 0 68.59 136.27 295.98 o 11 5 0 538.08 232.98 290.12 o 12 5 0 1018.21 923.12 309.17 o 13 5 0 328.78 477.68 326.76 o -8 6 0 98.37 344.34 298.92 o -7 6 0 248.21 215.40 295.98 o -6 6 0 2979.33 2927.61 316.50 o -5 6 0 401.75 350.20 281.33 o -4 6 0 1330.61 1485.79 269.61 o -3 6 0 2700.13 2666.80 252.03 o -2 6 0 1173.80 1419.85 209.53 o -1 6 0 518.86 539.25 122.46 o 0 6 0 62.26 3.35 107.62 o 1 6 0 994.27 776.23 107.22 o 2 6 0 1491.11 1503.37 159.71 o 3 6 0 57428.01 57674.57 1673.34 o 4 6 0 61039.39 57766.89 1755.40 o 5 6 0 7764.10 7465.56 405.88 o 6 6 0 329.54 224.19 200.74 o 7 6 0 1652.82 1345.12 244.70 o 8 6 0 3917.33 3856.60 294.52 o 9 6 0 1178.57 1466.74 295.98 o 10 6 0 2740.92 2504.15 322.36 o 11 6 0 741.18 949.50 290.12 o 12 6 0 1.81 -108.43 298.92 o 13 6 0 172.70 87.92 316.50 o -7 7 0 201.52 26.37 304.78 o -6 7 0 293.69 256.42 297.45 o -5 7 0 1793.31 1614.73 297.45 o -4 7 0 965.19 882.09 271.08 o -3 7 0 1154.54 1123.86 265.21 o -2 7 0 15087.44 15057.14 786.85 o -1 7 0 1241.10 1243.44 147.08 o 0 7 0 352.52 362.77 126.01 o 1 7 0 2617.01 2540.13 133.93 o 2 7 0 5311.38 5496.24 274.01 o 3 7 0 518.86 571.46 167.04 o 4 7 0 20562.14 21246.45 1043.27 o 5 7 0 31627.46 31381.73 1529.74 o 6 7 0 2272.11 2041.12 241.77 o 7 7 0 416.32 254.96 237.37 o 8 7 0 475.71 555.34 265.21 o 9 7 0 646.43 882.09 300.38 o 10 7 0 5262.70 5248.60 339.94 o 11 7 0 316.48 -215.40 284.26 o 12 7 0 552.92 788.32 309.17 o 13 7 0 1888.94 2046.99 341.41 o -6 8 0 1.09 -104.03 310.64 o -5 8 0 446.90 293.05 291.59 o -4 8 0 2148.82 2614.05 297.45 o -3 8 0 14.37 238.84 246.17 o -2 8 0 894.38 1106.28 241.77 o -1 8 0 2218.15 2393.40 244.70 o 0 8 0 1289.38 1307.64 150.83 o 1 8 0 822.34 735.20 131.95 o 2 8 0 2182.50 1998.63 211.00 o 3 8 0 11864.36 9914.03 596.37 o 4 8 0 2296.28 2088.01 213.93 o 5 8 0 14517.87 14875.44 574.39 o 6 8 0 2317.15 2219.89 244.70 o 7 8 0 722.21 776.59 257.89 o 8 8 0 0.07 63.01 278.40 o 9 8 0 1758.89 1627.92 293.05 o 10 8 0 17.59 219.79 288.66 o 11 8 0 48.64 -232.98 297.45 o 12 8 0 19.82 -104.03 316.50 o 13 8 0 136.80 38.10 312.10 o -5 9 0 48.65 216.86 300.38 o -4 9 0 2115.59 1966.40 300.38 o -3 9 0 3616.05 3893.23 309.17 o -2 9 0 3449.02 3724.72 282.80 o -1 9 0 217.87 213.57 164.19 o 0 9 0 1237.51 1416.28 163.52 o 1 9 0 119.43 21.75 146.04 o 2 9 0 3092.73 2756.18 247.63 o 3 9 0 5949.81 4574.58 389.76 o 4 9 0 534.14 430.79 218.33 o 5 9 0 3241.96 3140.08 254.96 o 6 9 0 535.07 317.96 244.70 o 7 9 0 543.93 344.34 272.54 o 8 9 0 208.50 216.86 263.75 o 9 9 0 104.82 10.26 284.26 o 10 9 0 3.84 42.49 281.33 o 11 9 0 309.89 111.36 316.50 o 12 9 0 1709.25 1733.42 331.15 o 13 9 0 1591.16 1529.74 357.53 o -4 10 0 4.25 -58.61 298.92 o -3 10 0 2629.36 2945.20 310.64 o -2 10 0 1645.14 1897.53 278.40 o -1 10 0 1670.91 1799.98 185.95 o 0 10 0 603.29 788.33 163.22 o 1 10 0 611.59 597.58 150.62 o 2 10 0 201.16 82.06 222.72 o 3 10 0 612.42 252.03 232.98 o 4 10 0 7007.01 6702.16 291.59 o 5 10 0 1716.50 1535.61 260.82 o 6 10 0 2728.26 2929.08 279.87 o 7 10 0 15657.37 16989.83 838.14 o 8 10 0 6924.33 6869.20 348.73 o 9 10 0 2951.43 2970.11 315.03 o 10 10 0 16.55 67.40 291.59 o 11 10 0 18.62 -131.87 293.05 o 12 10 0 156.30 356.06 320.89 o 13 10 0 202.58 200.74 320.89 o -2 11 0 201.25 262.28 260.82 o -1 11 0 2525.14 2591.11 246.17 o 0 11 0 940.89 771.67 175.10 o 1 11 0 15.93 80.68 155.77 o 2 11 0 283.51 127.48 234.44 o 3 11 0 139.43 216.86 234.44 o 4 11 0 32.03 -54.22 228.58 o 5 11 0 3704.91 3298.33 275.47 o 6 11 0 0.09 175.83 250.56 o 7 11 0 77.61 10.26 263.75 o 8 11 0 1474.27 1594.22 288.66 o 9 11 0 2221.01 2315.13 322.36 o 10 11 0 469.15 477.68 309.17 o 11 11 0 62.72 133.34 317.96 o 12 11 0 1068.57 885.02 331.15 o -1 12 0 146.29 97.57 249.10 o 0 12 0 95.14 207.57 182.32 o 1 12 0 13.37 109.98 165.02 o 2 12 0 440.51 526.03 259.35 o 3 12 0 8.76 57.15 257.89 o 4 12 0 146.90 -2.93 243.24 o 5 12 0 47.51 -111.36 246.17 o 6 12 0 1110.64 902.61 259.35 o 7 12 0 4875.63 5444.95 334.08 o 8 12 0 433.09 537.75 281.33 o 9 12 0 271.70 171.44 290.12 o 10 12 0 1088.81 1084.30 323.83 o 11 12 0 2.26 167.04 328.22 o 1 13 0 824.31 1036.67 194.22 o 2 13 0 1278.81 1460.88 284.26 o 3 13 0 259.17 408.81 262.28 o 4 13 0 209.08 193.42 253.49 o 5 13 0 715.50 501.12 268.14 o 6 13 0 670.01 461.56 287.19 o 7 13 0 698.84 571.46 294.52 o 8 13 0 2669.24 2886.59 326.76 o 9 13 0 1980.66 2237.47 342.87 o 10 13 0 10.31 -41.03 329.69 o 5 14 0 83.54 -73.26 278.40 o 6 14 0 166.81 174.37 294.52 o 7 14 0 17.33 189.02 298.92 o -9 -13 1 52.08 -20.51 295.98 o -8 -13 1 159.49 240.30 290.12 o -7 -13 1 28.57 215.40 278.40 o -6 -13 1 320.99 180.23 274.01 o -5 -13 1 1056.37 1125.33 282.80 o -4 -13 1 2053.10 2382.53 294.52 o -3 -13 1 126.02 64.47 259.35 o -2 -13 1 503.05 625.67 284.26 o -11 -12 1 118.27 249.10 325.29 o -10 -12 1 321.13 177.30 307.71 o -9 -12 1 1306.62 1387.61 295.98 o -8 -12 1 515.00 505.52 276.94 o -7 -12 1 214.49 216.86 276.94 o -6 -12 1 59.52 1.47 257.89 o -5 -12 1 1493.27 1474.06 272.54 o -4 -12 1 5723.99 5194.39 315.03 o -3 -12 1 2116.44 1644.04 275.47 o -2 -12 1 435.97 307.71 263.75 o -1 -12 1 372.23 376.08 177.30 o 0 -12 1 5.17 -18.45 181.29 o -12 -11 1 95.02 228.58 307.71 o -11 -11 1 1.54 -326.76 312.10 o -10 -11 1 847.75 786.85 307.71 o -9 -11 1 713.35 473.28 288.66 o -8 -11 1 70.05 101.10 266.68 o -7 -11 1 1153.70 1323.14 272.54 o -6 -11 1 3140.70 2706.36 279.87 o -5 -11 1 12.93 111.36 247.63 o -4 -11 1 272.73 147.99 227.12 o -3 -11 1 8404.25 7767.41 485.01 o -2 -11 1 1280.96 1399.33 262.28 o -1 -11 1 578.21 541.08 167.38 o 0 -11 1 2.40 51.07 171.67 o 1 -11 1 114.01 181.12 180.04 o 2 -11 1 0.37 -64.47 272.54 o -12 -10 1 587.12 517.24 319.43 o -11 -10 1 1423.95 971.48 319.43 o -10 -10 1 202.66 347.27 303.31 o -9 -10 1 196.50 215.40 275.47 o -8 -10 1 4503.86 4637.59 309.17 o -7 -10 1 770.95 612.48 265.21 o -6 -10 1 10210.30 9776.30 512.85 o -5 -10 1 7737.04 7887.56 315.03 o -4 -10 1 2033.37 1891.67 252.03 o -3 -10 1 159.88 231.51 221.26 o -2 -10 1 2103.88 1762.72 247.63 o -1 -10 1 52.56 -1.11 153.87 o 0 -10 1 1553.94 1498.76 171.99 o 1 -10 1 405.70 321.82 169.32 o 2 -10 1 357.89 572.92 257.89 o 3 -10 1 327.01 174.37 271.08 o 4 -10 1 26.91 134.81 287.19 o -13 -9 1 46.45 33.70 329.69 o -12 -9 1 507.76 776.59 315.03 o -11 -9 1 6084.11 6195.17 363.39 o -10 -9 1 9912.84 9975.57 559.73 o -9 -9 1 180.02 281.33 282.80 o -8 -9 1 92.45 442.51 272.54 o -7 -9 1 140.10 360.46 252.03 o -6 -9 1 265.99 375.11 238.84 o -5 -9 1 5332.24 5080.10 294.52 o -4 -9 1 1264.74 1323.14 227.12 o -3 -9 1 656.35 454.23 221.26 o -2 -9 1 46.87 23.44 206.60 o -1 -9 1 1953.48 1640.53 162.10 o 0 -9 1 4406.03 4435.60 188.76 o 1 -9 1 54.55 221.55 157.70 o 2 -9 1 3.53 -42.49 231.51 o 3 -9 1 11.47 -104.03 241.77 o 4 -9 1 573.16 470.35 271.08 o 5 -9 1 1004.63 841.07 310.64 o -13 -8 1 122.00 118.69 328.22 o -12 -8 1 352.14 397.09 320.89 o -11 -8 1 0.26 266.68 298.92 o -10 -8 1 5249.57 5370.22 331.15 o -9 -8 1 4419.79 4142.32 319.43 o -8 -8 1 1818.49 1692.39 288.66 o -7 -8 1 2066.16 2093.87 272.54 o -6 -8 1 616.80 789.78 238.84 o -5 -8 1 10.27 -92.31 205.14 o -4 -8 1 138.75 152.39 193.42 o -3 -8 1 630.45 486.47 191.95 o -2 -8 1 1796.61 1416.92 211.00 o -1 -8 1 6033.05 5850.94 663.04 o 0 -8 1 929.35 940.96 150.59 o 1 -8 1 1184.40 1144.06 211.00 o 2 -8 1 136.74 7.33 228.58 o 3 -8 1 901.51 1128.26 244.70 o 4 -8 1 895.70 534.82 249.10 o 5 -8 1 142.34 23.44 276.94 o 6 -8 1 1465.59 1601.54 319.43 o -13 -7 1 590.07 575.85 320.89 o -12 -7 1 3828.70 3356.94 356.06 o -11 -7 1 2466.10 2655.07 306.24 o -10 -7 1 793.73 747.29 295.98 o -9 -7 1 263.87 335.55 287.19 o -8 -7 1 1059.59 1137.05 272.54 o -7 -7 1 812.00 687.21 246.17 o -6 -7 1 823.52 720.91 221.26 o -5 -7 1 2366.57 2109.99 215.40 o -4 -7 1 277.54 243.24 171.44 o -3 -7 1 341.64 337.01 169.97 o -2 -7 1 720.75 703.33 171.44 o -1 -7 1 1563.83 1533.07 129.66 o 0 -7 1 1.70 11.06 123.90 o 1 -7 1 3885.53 3597.57 166.89 o 2 -7 1 1546.08 1529.74 231.51 o 3 -7 1 78.30 74.73 238.84 o 4 -7 1 6302.91 6599.59 319.43 o 5 -7 1 2399.37 2262.38 294.52 o 6 -7 1 395.49 306.24 284.26 o 7 -7 1 30.37 172.90 301.85 o -13 -6 1 5.45 32.24 317.96 o -12 -6 1 315.49 378.04 301.85 o -11 -6 1 531.78 480.61 293.05 o -10 -6 1 451.10 315.03 285.73 o -9 -6 1 971.26 933.38 290.12 o -8 -6 1 2450.37 2388.39 278.40 o -7 -6 1 46.01 -89.38 225.65 o -6 -6 1 7699.13 7483.14 400.02 o -5 -6 1 520.20 568.53 189.02 o -4 -6 1 17.29 130.41 159.71 o -3 -6 1 2094.00 2048.45 172.90 o -2 -6 1 5485.85 4877.89 313.57 o -1 -6 1 17673.92 16060.60 704.06 o 0 -6 1 9760.60 10004.90 320.15 o 1 -6 1 11806.41 12130.68 709.19 o 2 -6 1 77.29 162.65 194.88 o 3 -6 1 1796.51 2010.35 235.91 o 4 -6 1 876.32 945.10 252.03 o 5 -6 1 4445.41 4312.30 312.10 o 6 -6 1 4096.86 3871.25 323.83 o 7 -6 1 56.16 4.40 278.40 o 8 -6 1 0.42 68.87 291.59 o -13 -5 1 298.48 260.82 335.55 o -12 -5 1 435.46 290.12 312.10 o -11 -5 1 1254.33 1428.64 295.98 o -10 -5 1 176.93 315.03 279.87 o -9 -5 1 82.83 45.42 285.73 o -8 -5 1 428.10 413.21 266.68 o -7 -5 1 7363.37 6809.12 334.08 o -6 -5 1 15390.05 14214.61 819.09 o -5 -5 1 387.96 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