#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:11:47 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180979 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/59/2205922.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_2205922_Fobs loop_ _publ_author_name 'Steyl, Gideon' 'Roodt, Andreas' _publ_section_title ; Carbonyl(triphenylarsine)(tropolonato)rhodium(I) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1212 _journal_page_last m1214 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.550 _cell_angle_beta 103.623 _cell_angle_gamma 101.722 _cell_length_a 8.9960 _cell_length_b 9.3870 _cell_length_c 14.1370 _exptl_crystal_F_000 556.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file cv6514Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sad in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 229.61 _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 _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 2729.30 4730.65 67.20 o 2 0 0 10835.79 16497.44 173.41 o 3 0 0 135.56 297.40 47.69 o 4 0 0 1336.86 1901.88 84.54 o 5 0 0 224.77 272.25 50.72 o 6 0 0 3.73 8.67 52.89 o 7 0 0 854.10 822.83 89.31 o 8 0 0 487.62 377.60 79.34 o 9 0 0 917.24 665.90 98.41 o 10 0 0 0.36 10.84 107.95 o -10 1 0 1240.36 1009.68 126.59 o -9 1 0 4.50 94.08 86.27 o -8 1 0 2190.21 1963.44 123.99 o -7 1 0 45.51 16.91 69.80 o -6 1 0 1695.32 2029.77 104.05 o -5 1 0 68.22 79.34 42.05 o -4 1 0 1091.82 1288.44 72.40 o -3 1 0 3217.82 5201.02 126.59 o -2 1 0 5257.94 6277.90 95.81 o -1 1 0 16211.88 17687.95 573.99 o 0 1 0 436.09 433.09 27.31 o 1 1 0 7726.70 8676.02 73.57 o 2 1 0 2615.39 4815.18 102.31 o 3 1 0 7610.37 7959.99 135.26 o 4 1 0 8.20 -11.71 36.85 o 5 1 0 2486.72 2373.99 103.18 o 6 1 0 101.89 99.28 55.49 o 7 1 0 137.02 55.49 64.60 o 8 1 0 202.31 189.88 80.64 o 9 1 0 43.44 -32.51 90.61 o 10 1 0 459.23 294.80 123.56 o -10 2 0 114.18 -105.78 110.12 o -9 2 0 1172.59 746.97 107.08 o -8 2 0 51.17 22.11 75.87 o -7 2 0 4597.57 4436.28 146.10 o -6 2 0 323.45 404.48 59.83 o -5 2 0 1244.25 1428.90 81.07 o -4 2 0 4093.22 4357.38 105.35 o -2 2 0 107.86 110.99 20.08 o -1 2 0 1274.86 1288.07 45.74 o 0 2 0 9518.72 10691.91 122.25 o 1 2 0 1021.11 1144.69 135.26 o 2 2 0 10030.03 11895.13 114.53 o 3 2 0 49.85 51.59 35.55 o 4 2 0 12051.56 11495.40 196.39 o 5 2 0 2.94 25.14 49.86 o 6 2 0 788.79 781.65 86.71 o 7 2 0 198.95 87.14 71.10 o 8 2 0 271.61 71.97 76.73 o 9 2 0 203.67 217.63 102.75 o 10 2 0 47.61 -21.24 127.46 o -10 3 0 85.79 164.74 128.32 o -9 3 0 122.94 170.81 97.54 o -8 3 0 1731.27 1845.52 126.16 o -7 3 0 7.28 38.15 64.16 o -6 3 0 5365.99 6238.45 169.08 o -5 3 0 47.67 58.96 45.52 o -4 3 0 7090.50 6469.09 158.24 o -3 3 0 24.25 52.02 39.45 o -2 3 0 1968.45 1789.80 230.64 o -1 3 0 3.09 -14.33 19.63 o 0 3 0 48.42 31.06 22.76 o 1 3 0 3781.12 4012.03 138.73 o 2 3 0 1634.32 1639.67 56.03 o 3 3 0 6987.94 6078.52 93.72 o 4 3 0 157.18 157.80 53.76 o 5 3 0 4447.88 3999.29 141.33 o 6 3 0 150.88 168.21 65.03 o 7 3 0 702.89 542.78 92.77 o 8 3 0 22.03 88.44 90.17 o 9 3 0 31.01 -3.47 111.85 o -10 4 0 42.41 34.25 128.32 o -9 4 0 318.81 359.83 120.95 o -8 4 0 128.64 116.19 87.57 o -7 4 0 3182.39 3569.23 198.56 o -6 4 0 895.80 1087.29 119.65 o -5 4 0 4038.24 3560.12 148.70 o -4 4 0 11.83 46.57 31.98 o -3 4 0 4758.97 4634.31 90.14 o -2 4 0 324.04 322.11 57.66 o -1 4 0 11.81 -2.38 28.58 o 0 4 0 124.83 138.10 31.81 o 1 4 0 60.96 51.94 28.81 o 2 4 0 521.46 563.13 46.58 o 3 4 0 7.88 -18.56 34.60 o 4 4 0 1850.88 1877.17 109.68 o 5 4 0 247.38 163.44 64.16 o 6 4 0 1793.03 1624.43 125.29 o 7 4 0 0.10 -3.03 82.37 o 8 4 0 642.55 388.87 112.28 o 9 4 0 1.08 32.95 129.19 o -10 5 0 1.61 -227.60 171.68 o -9 5 0 55.23 -104.05 156.07 o -8 5 0 15.40 144.36 100.58 o -7 5 0 207.85 304.34 105.35 o -6 5 0 849.72 1056.94 105.35 o -5 5 0 605.69 747.83 88.44 o -4 5 0 5883.42 5320.71 106.96 o -2 5 0 2861.80 2286.38 150.65 o -1 5 0 237.20 431.79 68.06 o 0 5 0 796.40 842.13 58.98 o 1 5 0 308.23 315.64 46.69 o 2 5 0 2.06 56.12 35.62 o 3 5 0 556.15 553.94 48.73 o 4 5 0 393.03 378.56 51.54 o 5 5 0 706.50 693.64 89.74 o 6 5 0 244.18 201.59 84.10 o 7 5 0 956.14 889.60 122.69 o 8 5 0 42.41 37.72 133.53 o -10 6 0 266.96 -25.14 223.27 o -9 6 0 11.39 107.08 159.54 o -8 6 0 141.92 112.72 123.12 o -7 6 0 242.08 274.86 113.58 o -6 6 0 57.89 -14.74 65.90 o -5 6 0 1090.17 1057.05 78.75 o -4 6 0 234.01 407.08 69.36 o -3 6 0 4734.17 4041.71 116.19 o -2 6 0 322.50 533.12 78.47 o -1 6 0 4156.13 3296.70 190.97 o 0 6 0 502.57 975.14 81.72 o 1 6 0 2295.47 2034.81 91.20 o 2 6 0 137.78 169.51 73.70 o 3 6 0 3.86 13.05 51.35 o 4 6 0 11.29 -32.66 57.20 o 5 6 0 493.05 416.07 66.33 o 6 6 0 530.92 378.47 130.06 o 7 6 0 230.64 281.79 122.69 o -10 7 0 58.92 -137.86 204.19 o -9 7 0 567.21 460.84 135.69 o -8 7 0 14.68 -3.03 107.95 o -7 7 0 34.85 74.57 131.36 o -6 7 0 91.12 161.71 86.27 o -5 7 0 156.51 91.00 58.45 o -4 7 0 433.92 404.46 53.89 o -3 7 0 618.93 530.35 55.48 o -2 7 0 1791.75 1649.54 86.11 o -1 7 0 962.40 960.82 76.85 o 0 7 0 2730.93 2666.54 111.05 o 1 7 0 234.31 299.35 62.27 o 2 7 0 929.41 1167.49 121.82 o 3 7 0 27.23 -69.36 89.31 o 4 7 0 22.45 70.04 67.98 o 5 7 0 51.41 54.65 106.00 o 6 7 0 210.94 75.43 148.70 o -9 8 0 37.36 65.46 172.54 o -8 8 0 244.60 181.65 149.57 o -7 8 0 44.44 179.05 143.93 o -6 8 0 98.95 35.96 73.36 o -5 8 0 1.72 -24.30 59.67 o -4 8 0 15.14 10.22 55.36 o -3 8 0 58.96 88.79 57.16 o -2 8 0 676.49 839.56 78.77 o -1 8 0 1346.77 1294.38 89.61 o 0 8 0 492.47 610.09 74.38 o 1 8 0 3163.86 3224.20 133.59 o 2 8 0 21.56 75.43 116.19 o 3 8 0 793.99 906.94 141.76 o 4 8 0 4.41 248.84 145.23 o 5 8 0 57.95 122.76 92.90 o -8 9 0 62.92 208.53 175.58 o -7 9 0 681.96 555.25 99.26 o -6 9 0 33.95 90.18 72.39 o -5 9 0 207.12 119.25 69.93 o -4 9 0 5.79 -13.53 64.51 o -3 9 0 0.71 43.20 90.61 o -2 9 0 212.31 173.66 89.31 o -1 9 0 158.46 154.71 79.93 o 0 9 0 369.57 483.60 175.36 o 1 9 0 494.92 563.59 127.02 o 2 9 0 901.78 921.68 153.04 o 3 9 0 68.05 127.46 143.06 o 4 9 0 363.46 253.18 156.94 o -7 10 0 107.13 53.01 105.56 o -6 10 0 497.06 324.11 117.49 o -5 10 0 9.52 22.43 82.91 o -4 10 0 201.49 219.27 81.32 o -3 10 0 18.13 18.60 81.99 o -2 10 0 2.42 61.98 84.75 o -1 10 0 1.91 -3.18 80.78 o 0 10 0 287.84 371.11 97.37 o 1 10 0 98.19 437.43 148.70 o 2 10 0 186.69 166.47 169.94 o 3 10 0 280.91 324.71 187.72 o -5 11 0 228.17 302.49 138.73 o -4 11 0 57.37 27.93 114.02 o -3 11 0 265.49 162.75 158.24 o -2 11 0 12.90 10.99 103.69 o -1 11 0 29.46 15.75 155.64 o 0 11 0 5.47 -65.21 116.40 o 1 11 0 49.64 11.27 167.77 o -1 -11 1 1.49 -66.76 183.82 o 0 -11 1 11.41 157.57 228.90 o 1 -11 1 17.41 -32.56 109.19 o 2 -11 1 300.27 292.02 99.10 o 3 -11 1 1.19 -36.89 94.96 o 4 -11 1 480.29 409.45 98.67 o 5 -11 1 18.49 -26.14 96.32 o -3 -10 1 3.69 50.72 171.24 o -2 -10 1 312.70 209.83 158.24 o -1 -10 1 233.05 156.94 138.73 o 0 -10 1 22.36 -18.09 86.51 o 1 -10 1 7.62 81.05 90.66 o 2 -10 1 1.45 8.70 81.29 o 3 -10 1 262.15 179.17 84.72 o 4 -10 1 4.15 -2.82 77.25 o 5 -10 1 576.67 566.35 96.10 o 6 -10 1 4.06 128.36 90.68 o 7 -10 1 550.81 706.22 168.21 o -4 -9 1 0.24 -88.87 164.74 o -3 -9 1 1043.54 1233.38 180.35 o -2 -9 1 36.04 55.06 141.76 o -1 -9 1 463.58 468.87 88.84 o 0 -9 1 3.12 3.33 74.00 o 1 -9 1 87.63 118.25 72.58 o 2 -9 1 13.36 -37.97 73.73 o 3 -9 1 44.22 -16.37 55.93 o 4 -9 1 245.36 72.22 66.35 o 5 -9 1 79.86 64.71 85.62 o 6 -9 1 1322.58 1224.84 94.65 o 7 -9 1 39.19 259.25 150.43 o 8 -9 1 622.47 727.89 199.86 o -6 -8 1 89.54 238.23 105.14 o -5 -8 1 25.20 61.13 130.93 o -4 -8 1 1011.02 1276.74 157.80 o -3 -8 1 33.26 255.35 120.52 o -2 -8 1 1436.00 1634.83 174.28 o -1 -8 1 30.86 -29.70 70.38 o 0 -8 1 1440.21 1474.07 111.34 o 1 -8 1 51.20 9.23 56.40 o 2 -8 1 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