#------------------------------------------------------------------------------ #$Date: 2016-04-02 18:32:36 +0100 (Sat, 02 Apr 2016) $ #$Revision: 180751 $ #$URL: svn://www.crystallography.net/cod/hkl/2/00/72/2007267.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_2007267_Fobs loop_ _publ_author_name 'Fl\"orke, U.' _publ_section_title ; \m-Chloro-(\m-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium] ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first IUC9800017 _journal_volume 54 _journal_year 1998 _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _exptl_crystal_F_000 1272.00 _cod_data_source_file qa0036sup2.hkl _cod_data_source_block s401 #BEGIN Tags that were not found in dictionaries: _shelx_title ' C54 H52 Cl O6 P3 Re2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 383.76 _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 59480.48 61906.81 208.51 o 3 0 0 23718.85 24317.10 208.01 o 4 0 0 18788.01 18492.40 173.07 o 5 0 0 20731.18 19913.45 293.21 o 6 0 0 16427.58 16024.06 512.08 o 7 0 0 6128.59 6378.67 173.23 o 8 0 0 1249.82 1182.68 138.18 o 9 0 0 1369.36 1587.32 161.73 o 10 0 0 1496.94 1464.17 181.32 o 11 0 0 202.94 271.31 199.30 o 12 0 0 298.70 263.73 232.70 o 2 1 0 569.60 622.05 46.03 o 3 1 0 6738.87 6444.01 96.28 o 4 1 0 3853.48 3935.44 217.19 o 5 1 0 12157.55 11900.21 219.70 o 6 1 0 15976.09 14382.24 557.19 o 7 1 0 19563.58 18687.30 1174.52 o 8 1 0 8798.77 8509.49 223.88 o 9 1 0 4536.70 4435.58 197.29 o 10 1 0 4035.89 3592.92 210.81 o 11 1 0 5814.40 5470.33 265.31 o 12 1 0 4864.60 4979.90 279.40 o 1 2 0 23291.31 25106.02 168.74 o 2 2 0 3245.74 3584.44 70.76 o 3 2 0 10093.62 10146.42 119.30 o 4 2 0 9595.23 9709.74 289.87 o 5 2 0 4658.06 4413.49 117.44 o 6 2 0 4398.09 4274.11 133.77 o 7 2 0 2165.02 2215.54 128.68 o 8 2 0 1709.67 1758.63 139.90 o 9 2 0 291.57 394.32 152.04 o 10 2 0 41.65 -0.62 252.28 o 11 2 0 65.39 414.69 178.49 o 12 2 0 90.82 433.82 214.66 o 1 3 0 23227.09 24784.05 972.36 o 2 3 0 5337.90 6474.56 392.62 o 3 3 0 79.70 83.99 59.31 o 4 3 0 626.36 628.89 80.19 o 5 3 0 1085.18 1033.15 151.20 o 6 3 0 972.38 1042.12 98.21 o 7 3 0 16.30 92.95 100.14 o 8 3 0 17.79 11.71 121.53 o 9 3 0 22.57 69.40 137.00 o 10 3 0 193.17 193.17 163.46 o 11 3 0 31.86 243.47 246.43 o 12 3 0 55.86 135.73 212.17 o 0 4 0 16026.70 14438.43 163.73 o 1 4 0 2486.63 2629.05 106.93 o 2 4 0 7982.51 8219.55 181.27 o 3 4 0 6762.71 6519.23 233.90 o 4 4 0 7492.96 7634.72 280.68 o 5 4 0 3412.43 3389.09 233.07 o 6 4 0 1545.88 1629.38 107.86 o 7 4 0 688.98 620.38 141.18 o 8 4 0 12.38 -8.81 126.26 o 9 4 0 112.88 228.48 141.14 o 10 4 0 169.17 310.93 169.68 o 11 4 0 113.00 151.11 191.73 o 12 4 0 3.52 410.99 305.74 o 1 5 0 2320.10 2834.54 86.83 o 2 5 0 5531.17 6263.65 307.41 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67093.07 459.45 o 2 8 0 48229.07 55585.41 1971.46 o 3 8 0 40253.15 41770.89 1383.36 o 4 8 0 18192.67 18893.73 845.39 o 5 8 0 7611.88 7541.94 173.05 o 6 8 0 2238.02 2342.87 133.25 o 7 8 0 1854.96 1799.93 147.47 o 8 8 0 2069.55 2012.05 167.97 o 9 8 0 286.72 113.23 173.86 o 10 8 0 6.67 64.07 195.74 o 11 8 0 2.07 -256.16 210.05 o 2 9 0 522.45 760.60 113.61 o 3 9 0 1071.37 983.32 97.46 o 4 9 0 1739.37 1965.17 117.51 o 5 9 0 27.47 -124.87 102.18 o 6 9 0 20.63 -17.20 142.85 o 7 9 0 2365.87 2362.67 238.08 o 8 9 0 1262.03 1340.52 156.91 o 9 9 0 1728.32 1670.54 192.87 o 10 9 0 953.78 912.99 191.25 o 11 9 0 415.90 658.09 227.22 o 0 10 0 2101.92 1816.08 155.38 o 1 10 0 5674.72 5724.57 141.18 o 3 10 0 6369.83 7253.93 669.96 o 4 10 0 19.44 162.08 171.25 o 5 10 0 70.24 182.05 108.51 o 6 10 0 299.94 310.08 208.84 o 7 10 0 1012.30 1087.41 193.80 o 8 10 0 586.88 578.44 154.00 o 9 10 0 187.03 168.35 275.67 o 10 10 0 0.78 42.59 192.87 o 11 10 0 14.73 157.30 208.98 o 1 11 0 2187.79 1446.85 180.44 o 3 11 0 1069.69 1466.03 118.07 o 4 11 0 5566.70 5976.14 174.25 o 5 11 0 4376.71 4063.98 166.79 o 6 11 0 6573.33 6962.96 371.74 o 7 11 0 2677.21 2380.45 176.78 o 8 11 0 3828.11 4355.07 266.48 o 9 11 0 3762.67 3633.77 650.75 o 10 11 0 2561.82 3261.18 319.11 o 11 11 0 1941.53 1834.14 261.98 o 0 12 0 86319.76 82330.10 619.84 o 1 12 0 50985.86 48603.54 761.02 o 4 12 0 10482.68 11675.89 236.20 o 5 12 0 13079.93 14258.19 626.52 o 6 12 0 11594.64 11871.38 268.86 o 7 12 0 3959.15 4109.17 207.28 o 8 12 0 368.86 500.94 167.31 o 9 12 0 854.71 999.76 283.19 o 10 12 0 212.48 759.18 211.31 o 11 12 0 2.72 145.77 238.60 o 1 13 0 2715.23 840.38 275.67 o 2 13 0 6103.94 5354.67 301.57 o 4 13 0 4156.42 4762.17 334.15 o 5 13 0 10051.30 11015.19 371.74 o 6 13 0 12970.33 14121.49 306.28 o 7 13 0 12677.69 13159.82 668.29 o 8 13 0 5183.56 5556.37 505.40 o 9 13 0 4255.26 4190.09 251.03 o 10 13 0 3346.69 3056.50 263.59 o 11 13 0 4723.58 5039.61 318.97 o 0 14 0 54679.50 51085.83 553.01 o 1 14 0 50154.08 47499.89 2648.10 o 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16021.89 15098.36 359.21 o 1 18 0 18558.24 17079.85 397.63 o 2 18 0 19748.38 18986.62 688.34 o 3 18 0 13985.04 13901.04 285.78 o 4 18 0 8556.69 9065.02 261.58 o 8 18 0 935.01 1137.58 273.98 o 9 18 0 176.39 319.29 277.39 o 10 18 0 90.53 -232.07 467.80 o 1 19 0 948.88 -3732.41 354.19 < 2 19 0 882.08 -695.02 299.06 o 3 19 0 3341.67 2130.94 1869.54 o 4 19 0 6216.34 6227.71 246.15 o 5 19 0 5734.83 6144.88 266.31 o 8 19 0 6788.47 8500.66 539.64 o 9 19 0 5502.87 6969.85 559.69 o 0 20 0 6727.09 6071.42 285.69 o 1 20 0 16919.44 15774.14 313.26 o 2 20 0 23260.36 20794.56 863.77 o 3 20 0 18163.55 17738.35 338.45 o 4 20 0 7601.73 7288.09 257.51 o 5 20 0 2837.77 3126.80 400.97 o 6 20 0 1810.09 1846.15 352.52 o 1 21 0 4.18 -4246.99 364.22 < 2 21 0 609.30 -1398.40 342.50 < 3 21 0 1854.94 741.47 229.63 o 4 21 0 3218.91 2820.18 273.16 o 5 21 0 811.61 812.82 194.33 o 6 21 0 309.09 395.82 341.66 o 7 21 0 603.60 569.72 360.88 o 0 22 0 133.98 389.28 195.48 o 1 22 0 515.91 501.29 162.41 o 2 22 0 1029.46 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