#------------------------------------------------------------------------------ #$Date: 2016-04-02 20:31:34 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180726 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/45/2004596.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_2004596_Fobs loop_ _publ_author_name 'Zhang, H.' 'Wang, Y.' 'Maguire, J. A.' 'Hosmane, N. S.' _publ_section_title ; A Holmium(III) `Carbons Adjacent' Carborane Cluster, [Li(C~6~H~16~N~2~)~2~][Li~2~(C~6~H~16~N~2~)~2~{HoCl~2~(C~8~H~22~B~4~Si~2~)~2~}].0.5C~6~H~6~ ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 640 _journal_page_last 643 _journal_volume 52 _journal_year 1996 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _exptl_crystal_F_000 2524.00 _cod_data_source_file cr1207sup2.hkl _cod_data_source_block yw-hobst #BEGIN Tags that were not found in dictionaries: _shelx_title ' YW-HoBs(tmeda)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 484.27 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 57313.18 59045.14 701.16 o 4 0 0 69810.59 63731.07 1052.52 o 6 0 0 22446.74 23120.79 595.59 o 8 0 0 950.11 371.85 266.28 o 10 0 0 5253.71 4949.05 386.03 o 12 0 0 6760.81 6868.17 449.05 o 14 0 0 3804.22 3663.34 439.60 o 16 0 0 6306.40 7032.03 589.29 o 2 1 0 8390.42 9573.53 293.07 o 3 1 0 1109.21 745.27 162.29 o 4 1 0 46810.04 48765.73 929.62 o 5 1 0 1216.68 1265.23 190.65 o 6 1 0 83930.60 85495.23 1495.27 o 7 1 0 454.13 354.52 226.89 o 8 1 0 53493.27 52353.44 1173.84 o 9 1 0 56.90 -31.51 258.40 < 10 1 0 25189.85 24723.20 797.27 o 11 1 0 10.17 -442.75 346.64 < 12 1 0 9111.84 9702.73 540.44 o 13 1 0 0.87 241.07 343.49 o 14 1 0 1694.87 1931.72 425.42 o 15 1 0 6.50 -844.54 441.18 < 16 1 0 30.84 -300.95 434.87 < 0 2 0 234518.34 228010.92 833.51 o 1 2 0 3852.69 3869.75 141.81 o 2 2 0 635.71 773.63 121.32 o 3 2 0 1375.71 1287.29 185.92 o 4 2 0 25188.49 23257.87 584.56 o 5 2 0 842.79 1265.23 198.53 o 6 2 0 15522.90 15805.14 460.08 o 7 2 0 3112.02 3023.63 255.25 o 8 2 0 588.64 594.01 244.22 o 9 2 0 629.34 828.78 264.71 o 10 2 0 406.38 321.43 302.52 o 11 2 0 30.77 -663.34 332.46 < 12 2 0 7404.88 7761.55 480.57 o 13 2 0 593.81 182.77 370.27 o 14 2 0 4404.22 4774.16 463.24 o 15 2 0 106.53 482.14 415.97 o 16 2 0 4495.07 3628.68 534.14 o 1 3 0 19557.37 18705.88 438.02 o 2 3 0 1142.76 1085.61 154.41 o 3 3 0 17918.28 18872.89 494.75 o 4 3 0 80928.65 81408.05 1199.05 o 5 3 0 3549.96 3571.95 231.62 o 6 3 0 15965.67 16569.32 482.14 o 7 3 0 394.19 282.04 236.34 o 8 3 0 20742.03 20183.82 603.47 o 9 3 0 314.36 401.79 259.98 o 10 3 0 5147.75 6313.55 368.70 o 11 3 0 677.77 59.87 330.88 o 12 3 0 4838.21 4819.85 428.57 o 13 3 0 44.92 61.45 360.82 o 14 3 0 970.45 467.96 404.94 o 15 3 0 14.35 -425.42 404.94 < 16 3 0 43.76 494.75 423.84 o 0 4 0 52862.72 56853.44 765.76 o 1 4 0 15402.72 15627.09 389.18 o 2 4 0 168849.86 179659.58 1477.94 o 3 4 0 31953.93 33450.62 787.81 o 4 4 0 6408.12 6080.35 264.71 o 5 4 0 29.38 31.51 182.77 o 6 4 0 12298.30 12450.62 408.09 o 7 4 0 2218.73 2914.91 256.83 o 8 4 0 2060.21 1577.21 277.31 o 9 4 0 2819.54 2582.46 304.10 o 10 4 0 1046.44 702.73 307.25 o 11 4 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o 12 6 0 2977.92 3436.45 406.51 o 13 6 0 2013.20 2012.08 430.15 o 14 6 0 3754.76 4235.29 480.57 o 15 6 0 360.62 965.86 403.36 o 1 7 0 4812.55 5131.83 234.77 o 2 7 0 2893.17 2580.88 206.41 o 3 7 0 1573.48 1722.16 195.38 o 4 7 0 8365.84 8792.01 338.76 o 5 7 0 15226.57 14465.85 475.84 o 6 7 0 37028.40 36645.99 935.92 o 7 7 0 3078.29 2919.64 278.89 o 8 7 0 3418.66 3633.40 315.13 o 9 7 0 1133.85 1258.93 299.37 o 10 7 0 15553.70 15311.97 619.22 o 11 7 0 23.06 94.54 338.76 o 12 7 0 3931.86 3768.91 444.33 o 13 7 0 1582.82 1917.54 404.94 o 14 7 0 2157.57 1657.56 453.78 o 15 7 0 233.46 137.08 441.18 o 0 8 0 39164.80 42608.18 953.26 o 1 8 0 13534.16 13334.55 408.09 o 2 8 0 23697.12 24426.98 575.10 o 3 8 0 187.01 231.62 179.62 o 4 8 0 12025.47 11070.37 368.70 o 5 8 0 24.59 349.79 204.83 o 6 8 0 2309.01 2002.63 264.71 o 7 8 0 1056.54 961.13 264.71 o 8 8 0 2367.22 2081.41 300.95 o 9 8 0 3959.07 4106.09 378.15 o 10 8 0 4154.63 4332.98 381.30 o 11 8 0 1371.67 902.84 398.63 o 12 8 0 2243.53 1942.75 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2965.33 464.81 o 1 11 0 2900.69 3393.91 261.55 o 2 11 0 481.93 160.71 220.59 o 3 11 0 6285.43 6901.26 316.70 o 4 11 0 1306.43 1039.92 234.77 o 5 11 0 2814.77 2609.24 289.92 o 6 11 0 11461.30 11919.64 471.11 o 7 11 0 367.43 1061.97 280.46 o 8 11 0 8902.10 8963.76 482.14 o 9 11 0 1250.85 1771.01 343.49 o 10 11 0 8289.02 7980.56 474.26 o 11 11 0 938.60 201.68 375.00 o 12 11 0 8414.12 8177.52 562.50 o 13 11 0 205.99 516.81 409.66 o 14 11 0 372.03 259.98 441.18 o 0 12 0 5567.99 5902.31 318.28 o 1 12 0 33.90 -31.51 220.59 < 2 12 0 11023.44 10868.69 409.66 o 3 12 0 50.32 -415.97 226.89 < 4 12 0 3719.98 3852.41 297.79 o 5 12 0 572.66 857.14 252.10 o 6 12 0 6471.19 6200.10 379.73 o 7 12 0 1960.97 1982.14 329.31 o 8 12 0 18.44 401.79 310.40 o 9 12 0 771.13 1183.30 356.09 o 10 12 0 61.39 508.93 341.91 o 11 12 0 1379.65 1616.60 406.51 o 12 12 0 947.47 1233.72 406.51 o 13 12 0 664.08 29.94 442.75 o 1 13 0 2793.97 2530.46 274.16 o 2 13 0 294.66 713.76 226.89 o 3 13 0 4320.61 4246.32 300.95 o 4 13 0 3517.05 2820.38 310.40 o 5 13 0 239.15 313.55 271.01 o 6 13 0 4235.15 4228.99 362.39 o 7 13 0 1051.92 1186.45 319.85 o 8 13 0 3636.26 3453.78 384.45 o 9 13 0 17.41 -575.10 360.82 < 10 13 0 1844.73 2098.74 384.45 o 11 13 0 396.75 913.87 367.12 o 12 13 0 3966.65 3909.14 488.45 o 13 13 0 413.43 -119.75 450.63 < 0 14 0 10321.39 10257.35 442.75 o 1 14 0 426.20 493.17 245.80 o 2 14 0 389.34 505.78 258.40 o 3 14 0 2521.73 2470.59 308.82 o 4 14 0 2510.19 2688.02 307.25 o 5 14 0 4878.95 4282.56 368.70 o 6 14 0 2289.02 1926.99 356.09 o 7 14 0 6508.37 6620.80 414.39 o 8 14 0 57.24 236.34 330.88 o 9 14 0 1188.67 1123.42 370.27 o 10 14 0 324.94 335.61 367.12 o 11 14 0 3233.65 3244.22 461.66 o 12 14 0 557.63 300.95 420.69 o 1 15 0 9539.09 9141.80 458.51 o 2 15 0 148.62 -291.49 280.46 < 3 15 0 10100.51 10057.24 455.36 o 4 15 0 1558.74 1139.18 323.00 o 5 15 0 1403.78 2015.23 334.03 o 6 15 0 2442.90 2694.33 371.85 o 7 15 0 1093.72 1700.10 343.49 o 8 15 0 408.52 283.61 370.27 o 9 15 0 777.25 940.65 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