#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:14:46 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180987 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/67/2206723.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_2206723_Fobs loop_ _publ_author_name 'Janse van Rensburg, J. Marthinus' 'Roodt, Andreas' 'Muller, Alfred' 'Meijboom, Reinout' _publ_section_title ; Carbonyl(8-hydroxyquinolinato)[tris(2,6-dimethylphenyl)phosphite]rhodium(I) ; _journal_coeditor_code HK6037 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1741 _journal_page_last m1743 _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 83.487 _cell_angle_beta 75.254 _cell_angle_gamma 88.583 _cell_length_a 10.5803 _cell_length_b 10.9445 _cell_length_c 13.8863 _exptl_crystal_F_000 688.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file hk6037Isup2.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 234.82 _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 15710.94 15871.83 145.11 o 2 0 0 2569.59 2722.59 28.02 o 3 0 0 2327.68 2380.79 27.02 o 4 0 0 3.05 -3.06 4.92 o 5 0 0 945.20 911.15 21.36 o 6 0 0 166.35 183.59 16.30 o 7 0 0 2131.31 2127.95 70.00 o 8 0 0 3074.18 3137.32 52.04 o 9 0 0 364.33 359.66 45.05 o 10 0 0 57.10 35.15 32.50 o 11 0 0 22.72 13.74 37.32 o 12 0 0 143.51 75.66 44.51 o -12 1 0 440.75 452.83 60.36 o -11 1 0 330.52 433.31 55.27 o -10 1 0 600.88 521.35 51.97 o -9 1 0 136.46 109.07 47.70 o -8 1 0 54.03 86.30 18.31 o -7 1 0 462.98 448.28 17.65 o -6 1 0 859.44 806.90 19.29 o -5 1 0 1581.70 1619.15 35.99 o -4 1 0 5413.86 5779.14 82.13 o -3 1 0 2958.31 2882.56 36.50 o -2 1 0 1200.46 1284.12 33.58 o -1 1 0 1808.19 1825.34 29.77 o 0 1 0 4931.43 5162.34 69.04 o 1 1 0 4183.42 4210.26 46.66 o 2 1 0 14.96 12.57 5.44 o 3 1 0 9.86 16.41 5.30 o 4 1 0 4088.71 4127.29 55.66 o 5 1 0 3659.10 3624.87 49.23 o 6 1 0 226.95 237.12 14.83 o 7 1 0 0.00 11.26 10.98 o 8 1 0 1731.27 1761.71 37.82 o 9 1 0 432.03 461.18 30.24 o 10 1 0 671.36 653.42 54.51 o 11 1 0 212.14 328.82 49.49 o 12 1 0 61.31 68.20 44.83 o -12 2 0 16.67 -25.85 41.81 o -11 2 0 37.39 66.90 38.83 o -10 2 0 781.59 705.77 59.49 o -9 2 0 199.15 219.88 32.69 o -8 2 0 85.94 56.81 14.39 o -7 2 0 187.31 206.81 16.72 o -6 2 0 471.11 471.69 20.78 o -5 2 0 27.26 18.90 6.55 o -4 2 0 1485.71 1528.28 34.25 o -3 2 0 2627.34 2656.55 46.02 o -2 2 0 21379.56 21577.27 656.77 o -1 2 0 223.55 233.00 7.72 o 0 2 0 3684.64 3674.77 51.85 o 1 2 0 7478.25 7851.64 120.83 o 2 2 0 954.77 967.61 16.48 o 3 2 0 13.25 16.15 6.08 o 4 2 0 277.61 280.80 12.94 o 5 2 0 660.09 620.89 26.38 o 6 2 0 1138.05 1115.25 26.05 o 7 2 0 1199.52 1205.50 29.06 o 8 2 0 597.75 599.57 46.75 o 9 2 0 232.02 269.87 25.81 o 10 2 0 32.29 27.42 31.85 o 11 2 0 23.00 -22.23 35.26 o 12 2 0 62.49 159.60 49.16 o -12 3 0 185.60 258.57 55.49 o -11 3 0 148.88 104.76 42.78 o -10 3 0 62.11 38.52 27.45 o -9 3 0 164.99 148.19 19.49 o -8 3 0 0.14 -14.49 13.85 o -7 3 0 12.67 0.77 12.20 o -6 3 0 865.85 791.97 30.37 o -5 3 0 4589.47 4227.76 73.13 o -4 3 0 1090.19 1060.88 29.45 o -3 3 0 1283.57 1256.62 30.24 o -2 3 0 4554.41 4940.08 57.67 o -1 3 0 2725.18 2866.17 36.19 o 0 3 0 4377.79 4624.15 66.58 o 1 3 0 426.94 470.99 11.90 o 2 3 0 8435.47 8428.96 92.06 o 3 3 0 2320.47 2198.85 31.74 o 4 3 0 90.69 85.70 9.25 o 5 3 0 344.22 304.50 15.07 o 6 3 0 2.72 12.33 9.62 o 7 3 0 330.16 335.37 19.07 o 8 3 0 2395.28 2383.95 58.13 o 9 3 0 764.50 728.95 37.36 o 10 3 0 228.40 236.95 30.39 o 11 3 0 141.80 150.40 42.94 o 12 3 0 57.81 118.71 47.48 o -12 4 0 127.93 78.91 51.22 o -11 4 0 44.43 3.07 27.91 o -10 4 0 98.69 90.05 20.72 o -9 4 0 35.91 36.73 17.48 o -8 4 0 224.49 225.91 20.40 o -7 4 0 1100.06 1060.23 38.12 o -6 4 0 211.25 241.22 22.23 o -5 4 0 1324.55 1292.65 50.67 o -4 4 0 5127.02 5203.07 84.47 o -3 4 0 3091.76 3028.44 49.19 o -2 4 0 52.23 50.62 7.13 o -1 4 0 3221.16 3138.43 51.43 o 0 4 0 169.28 145.08 21.88 o 1 4 0 951.46 953.53 18.77 o 2 4 0 20.52 26.09 6.61 o 3 4 0 1376.52 1357.57 47.88 o 4 4 0 4013.70 4078.03 54.01 o 5 4 0 2043.99 1880.88 33.11 o 6 4 0 2226.41 2073.55 37.21 o 7 4 0 1428.65 1435.64 42.99 o 8 4 0 132.51 146.11 21.98 o 9 4 0 0.04 24.51 21.55 o 10 4 0 48.27 16.33 24.87 o 11 4 0 53.94 112.38 43.10 o 12 4 0 155.28 225.58 53.65 o -11 5 0 42.08 94.95 25.42 o -10 5 0 52.18 75.34 22.25 o -9 5 0 189.40 201.19 22.69 o -8 5 0 136.12 124.05 23.72 o -7 5 0 1337.98 1259.23 43.40 o -6 5 0 1630.32 1549.51 44.94 o -5 5 0 1112.67 1139.52 36.67 o -4 5 0 5.17 -0.69 11.89 o -3 5 0 1146.71 1188.56 23.53 o -2 5 0 480.67 543.61 36.67 o -1 5 0 570.62 605.55 21.61 o 0 5 0 468.80 470.66 20.17 o 1 5 0 2185.05 2045.63 31.83 o 2 5 0 4552.50 4441.06 63.25 o 3 5 0 3091.99 3225.56 45.52 o 4 5 0 91.25 95.16 10.54 o 5 5 0 172.91 234.84 18.16 o 6 5 0 707.97 719.31 30.85 o 7 5 0 1697.06 1670.41 47.66 o 8 5 0 233.53 235.27 25.39 o 9 5 0 243.27 203.87 28.08 o 10 5 0 226.74 156.10 30.48 o 11 5 0 244.87 183.45 54.35 o -11 6 0 144.67 145.83 27.88 o -10 6 0 291.15 289.68 28.47 o -9 6 0 353.77 351.04 27.54 o -8 6 0 29.42 63.94 22.33 o -7 6 0 45.91 62.38 20.51 o -6 6 0 407.72 405.81 27.85 o -5 6 0 606.76 526.56 57.76 o -4 6 0 444.82 474.30 26.01 o -3 6 0 3652.66 3574.37 50.69 o -2 6 0 465.11 510.15 22.09 o -1 6 0 0.78 3.22 10.34 o 0 6 0 44.68 59.61 12.23 o 1 6 0 0.31 -2.72 7.92 o 2 6 0 3308.90 3451.10 52.15 o 3 6 0 3930.26 3806.75 56.08 o 4 6 0 3801.24 3645.71 52.56 o 5 6 0 1137.26 1105.83 27.42 o 6 6 0 55.49 55.24 17.83 o 7 6 0 26.31 3.00 18.24 o 8 6 0 18.63 21.87 21.14 o 9 6 0 50.81 13.09 38.02 o 10 6 0 58.16 -6.54 40.45 o 11 6 0 345.25 357.75 65.76 o -10 7 0 51.80 47.16 27.83 o -9 7 0 196.63 175.83 38.29 o -8 7 0 311.02 334.19 32.95 o -7 7 0 381.88 394.14 31.81 o -6 7 0 299.06 239.74 54.68 o -5 7 0 184.67 214.06 22.71 o -4 7 0 249.20 286.01 24.07 o -3 7 0 168.15 161.62 17.19 o -2 7 0 26.48 25.31 14.49 o -1 7 0 1186.50 1153.85 34.28 o 0 7 0 1728.16 1711.61 42.81 o 1 7 0 2780.93 2752.99 43.56 o 2 7 0 528.17 483.76 19.54 o 3 7 0 26.18 33.54 10.94 o 4 7 0 256.12 281.60 16.93 o 5 7 0 506.77 444.72 45.43 o 6 7 0 10.50 -1.19 28.66 o 7 7 0 560.33 645.79 55.60 o 8 7 0 395.62 355.54 50.19 o 9 7 0 333.50 382.47 54.19 o 10 7 0 7.81 64.74 46.56 o -10 8 0 87.23 46.08 26.50 o -9 8 0 12.76 15.85 29.39 o -8 8 0 29.43 -17.74 26.31 o -7 8 0 188.85 180.34 27.99 o -6 8 0 206.06 219.70 27.54 o -5 8 0 181.81 195.47 55.19 o -4 8 0 15.05 19.85 25.96 o -3 8 0 48.64 73.77 26.93 o -2 8 0 96.19 86.48 17.09 o -1 8 0 0.14 13.88 15.98 o 0 8 0 308.85 323.15 23.87 o 1 8 0 1770.54 1674.56 45.41 o 2 8 0 1357.57 1253.59 39.77 o 3 8 0 318.46 349.72 25.65 o 4 8 0 121.05 198.02 49.38 o 5 8 0 324.72 385.06 47.16 o 6 8 0 615.96 628.38 56.30 o 7 8 0 13.94 -0.70 34.72 o 8 8 0 6.99 -50.30 35.69 o 9 8 0 345.02 388.47 60.25 o 10 8 0 195.77 347.64 62.19 o -9 9 0 109.84 87.92 33.63 o -8 9 0 18.04 19.57 28.89 o -7 9 0 25.46 39.08 26.56 o -6 9 0 28.24 17.31 33.96 o -5 9 0 29.41 60.41 32.29 o -4 9 0 510.34 433.63 46.89 o -3 9 0 121.12 142.67 33.96 o -2 9 0 522.46 523.35 30.59 o -1 9 0 828.68 807.63 35.03 o 0 9 0 527.01 535.23 67.71 o 1 9 0 873.10 865.12 38.02 o 2 9 0 29.56 29.50 33.77 o 3 9 0 33.90 36.99 45.10 o 4 9 0 16.61 29.69 33.48 o 5 9 0 171.45 204.97 44.94 o 6 9 0 430.06 527.19 57.98 o 7 9 0 290.88 401.61 55.33 o 8 9 0 348.63 320.38 57.60 o 9 9 0 66.30 -5.52 47.32 o -8 10 0 4.21 33.21 50.84 o -7 10 0 8.36 33.15 41.32 o -6 10 0 41.84 38.07 40.13 o -5 10 0 122.29 234.66 44.35 o -4 10 0 785.52 708.26 57.22 o -3 10 0 197.04 228.50 41.32 o -2 10 0 44.52 89.88 32.56 o -1 10 0 228.06 287.66 27.46 o 0 10 0 135.89 127.44 23.75 o 1 10 0 300.21 352.04 30.27 o 2 10 0 293.03 324.95 30.20 o 3 10 0 121.90 158.43 40.02 o 4 10 0 892.33 829.56 65.06 o 5 10 0 83.22 69.33 39.91 o 6 10 0 29.73 31.31 40.94 o 7 10 0 79.10 12.60 45.10 o 8 10 0 216.80 269.71 57.44 o -7 11 0 6.60 -9.46 48.73 o -6 11 0 54.67 37.32 45.86 o -5 11 0 12.28 8.22 42.08 o -4 11 0 209.03 226.39 45.43 o -3 11 0 285.97 314.27 49.43 o -2 11 0 129.11 213.35 41.48 o -1 11 0 112.85 154.73 39.16 o 0 11 0 9.39 6.57 23.21 o 1 11 0 15.00 19.71 23.23 o 2 11 0 5.12 -24.37 23.87 o 3 11 0 91.32 120.60 42.02 o 4 11 0 235.02 258.24 51.22 o 5 11 0 142.94 148.29 47.75 o 6 11 0 102.79 54.24 49.27 o 7 11 0 11.69 -5.95 49.97 o -5 12 0 55.20 59.49 49.76 o -4 12 0 1.72 39.70 42.67 o -3 12 0 22.71 -34.61 41.37 o -2 12 0 41.01 79.72 42.02 o -1 12 0 61.32 39.64 38.83 o 0 12 0 24.59 11.63 37.32 o 1 12 0 94.02 66.04 32.80 o 2 12 0 304.33 364.19 55.00 o 3 12 0 139.96 168.95 50.73 o 4 12 0 23.00 3.41 45.97 o 5 12 0 59.20 79.23 51.22 o -3 13 0 122.79 159.06 51.00 o -2 13 0 90.69 115.14 50.57 o -1 13 0 28.76 25.58 45.97 o 0 13 0 21.51 40.18 45.59 o 1 13 0 0.30 33.96 44.83 o 2 13 0 72.75 53.32 49.65 o 3 13 0 124.75 229.63 57.16 o -2 -13 1 132.51 199.51 55.49 o -1 -13 1 108.61 104.70 49.86 o 0 -13 1 17.26 -24.45 44.89 o 1 -13 1 2.91 2.60 46.40 o 2 -13 1 9.20 -15.09 46.84 o -5 -12 1 356.25 386.25 63.65 o -4 -12 1 91.01 192.10 53.05 o -3 -12 1 2.51 3.89 44.67 o -2 -12 1 33.74 90.91 44.51 o -1 -12 1 135.33 147.70 46.94 o 0 -12 1 65.93 32.72 29.83 o 1 -12 1 115.89 86.48 42.67 o 2 -12 1 155.13 114.17 43.05 o 3 -12 1 57.98 -41.05 38.24 o 4 -12 1 14.80 -31.10 40.13 o 5 -12 1 14.11 -18.71 44.67 o -6 -11 1 19.58 -33.86 48.19 o -5 -11 1 9.35 -12.82 45.37 o -4 -11 1 357.27 329.31 55.92 o -3 -11 1 246.71 338.82 53.11 o -2 -11 1 199.95 207.78 45.92 o -1 -11 1 69.01 55.18 25.61 o 0 -11 1 61.25 54.12 24.74 o 1 -11 1 15.62 -39.86 32.34 o 2 -11 1 0.62 -26.07 33.86 o 3 -11 1 92.86 136.29 40.45 o 4 -11 1 315.98 368.95 52.14 o 5 -11 1 373.76 358.08 54.95 o 6 -11 1 81.80 58.19 45.70 o 7 -11 1 18.63 -46.62 48.67 o -8 -10 1 307.39 227.04 61.71 o -7 -10 1 288.43 295.72 57.81 o -6 -10 1 285.38 291.39 56.89 o -5 -10 1 343.33 430.87 58.35 o -4 -10 1 40.53 11.74 36.61 o -3 -10 1 526.54 535.79 55.00 o -2 -10 1 60.93 43.87 21.68 o -1 -10 1 164.86 202.41 25.79 o 0 -10 1 218.96 245.42 27.10 o 1 -10 1 182.55 211.60 26.66 o 2 -10 1 328.86 356.24 45.43 o 3 -10 1 563.12 486.14 48.30 o 4 -10 1 0.57 -8.27 31.75 o 5 -10 1 141.07 177.34 42.29 o 6 -10 1 102.36 75.44 41.43 o 7 -10 1 45.90 25.36 42.40 o 8 -10 1 23.27 97.62 51.59 o -9 -9 1 185.97 95.73 50.95 o -8 -9 1 48.29 3.68 46.84 o -7 -9 1 41.69 -11.63 39.26 o -6 -9 1 122.22 151.11 42.83 o -5 -9 1 436.04 442.45 53.92 o -4 -9 1 667.64 642.82 55.87 o -3 -9 1 191.89 263.70 42.35 o -2 -9 1 25.85 42.96 19.63 o -1 -9 1 83.21 91.53 19.95 o 0 -9 1 2.40 -0.59 24.82 o 1 -9 1 81.77 87.77 29.07 o 2 -9 1 987.58 957.96 37.01 o 3 -9 1 2012.12 1897.58 77.45 o 4 -9 1 967.63 964.34 57.81 o 5 -9 1 91.40 90.86 35.05 o 6 -9 1 0.17 12.76 34.83 o 7 -9 1 2.06 -16.77 39.80 o 8 -9 1 2.83 12.49 41.59 o -9 -8 1 452.02 457.48 63.71 o -8 -8 1 751.55 757.91 68.20 o -7 -8 1 183.52 189.94 45.81 o -6 -8 1 13.04 40.40 34.23 o -5 -8 1 260.80 241.21 40.40 o -4 -8 1 213.05 198.37 37.15 o -3 -8 1 389.51 399.06 28.93 o -2 -8 1 708.80 694.61 24.74 o -1 -8 1 726.39 740.77 25.00 o 0 -8 1 1119.61 1100.88 37.61 o 1 -8 1 381.72 383.59 26.60 o 2 -8 1 1.65 -3.04 16.55 o 3 -8 1 236.57 222.17 34.07 o 4 -8 1 154.44 157.49 30.61 o 5 -8 1 143.87 133.80 33.96 o 6 -8 1 9.73 -1.89 28.77 o 7 -8 1 18.15 9.94 25.04 o 8 -8 1 72.05 108.87 28.29 o 9 -8 1 35.95 14.01 41.97 o 10 -8 1 0.00 -25.22 25.47 o -10 -7 1 40.54 -25.31 47.54 o -9 -7 1 19.89 60.68 43.48 o -8 -7 1 138.21 138.40 44.19 o -7 -7 1 572.94 488.36 53.27 o -6 -7 1 740.47 728.11 56.41 o -5 -7 1 375.35 362.23 26.92 o -4 -7 1 444.87 437.58 26.73 o -3 -7 1 160.48 190.49 15.03 o -2 -7 1 128.86 139.86 13.69 o -1 -7 1 83.11 76.08 11.88 o 0 -7 1 1977.09 2028.66 47.59 o 1 -7 1 844.61 784.70 36.59 o 2 -7 1 844.28 899.07 31.06 o 3 -7 1 812.65 797.45 29.02 o 4 -7 1 616.68 638.17 43.97 o 5 -7 1 126.04 121.26 34.04 o 6 -7 1 168.19 188.02 41.83 o 7 -7 1 0.58 12.92 21.03 o 8 -7 1 126.51 150.39 27.23 o 9 -7 1 145.68 130.80 29.97 o 10 -7 1 173.02 151.20 27.02 o -11 -6 1 92.90 93.62 51.86 o -10 -6 1 674.97 769.43 69.23 o -9 -6 1 631.19 594.63 61.27 o -8 -6 1 364.88 430.57 33.33 o -7 -6 1 3.57 13.09 36.34 o -6 -6 1 3.50 -12.01 27.99 o -5 -6 1 35.96 34.91 16.35 o -4 -6 1 2.67 -8.83 10.02 o -3 -6 1 700.61 664.28 21.47 o -2 -6 1 5081.81 5139.91 66.82 o -1 -6 1 8088.03 8063.69 95.55 o 0 -6 1 1008.05 957.14 30.21 o 1 -6 1 19.17 28.55 11.47 o 2 -6 1 309.30 342.98 20.70 o 3 -6 1 1090.86 1156.71 31.56 o 4 -6 1 651.80 696.61 20.36 o 5 -6 1 341.08 327.42 24.66 o 6 -6 1 820.01 821.87 50.22 o 7 -6 1 1132.75 1071.13 41.59 o 8 -6 1 0.17 -30.49 20.90 o 9 -6 1 34.06 41.36 20.57 o 10 -6 1 102.22 91.23 43.70 o 11 -6 1 171.24 181.40 29.12 o -11 -5 1 182.75 144.44 33.94 o -10 -5 1 158.44 225.41 33.46 o -9 -5 1 191.91 243.16 32.37 o -8 -5 1 376.79 419.81 32.54 o -7 -5 1 132.39 143.88 21.38 o -6 -5 1 2048.87 2010.30 51.46 o -5 -5 1 1146.19 1112.46 35.96 o -4 -5 1 2544.79 2476.36 39.49 o -3 -5 1 874.98 894.21 22.16 o -2 -5 1 1675.23 1665.22 29.50 o -1 -5 1 3364.95 3432.78 47.06 o 0 -5 1 4019.36 3994.95 65.96 o 1 -5 1 358.74 312.36 25.15 o 2 -5 1 4229.18 4113.17 131.31 o 3 -5 1 556.59 576.81 21.40 o 4 -5 1 54.85 76.16 11.38 o 5 -5 1 22.01 20.27 14.12 o 6 -5 1 41.31 36.77 16.69 o 7 -5 1 1132.19 1036.06 69.20 o 8 -5 1 1020.56 928.00 32.97 o 9 -5 1 395.02 349.60 26.50 o 10 -5 1 224.19 166.23 37.33 o 11 -5 1 2.99 -23.91 31.59 o -11 -4 1 281.31 280.85 51.54 o -10 -4 1 202.32 260.56 32.91 o -9 -4 1 1.93 -23.14 21.67 o -8 -4 1 218.85 212.49 34.80 o -7 -4 1 215.64 234.88 23.20 o -6 -4 1 296.97 328.96 27.26 o -5 -4 1 1604.60 1593.20 29.50 o -4 -4 1 2036.77 2079.67 33.47 o -3 -4 1 5817.89 6020.21 72.07 o -2 -4 1 2297.44 2269.99 36.39 o -1 -4 1 473.02 485.50 17.32 o 0 -4 1 98.21 130.23 15.25 o 1 -4 1 769.51 789.76 32.67 o 2 -4 1 618.91 634.33 31.85 o 3 -4 1 2011.63 2108.47 43.31 o 4 -4 1 3500.07 3402.65 62.06 o 5 -4 1 3254.75 3247.00 63.12 o 6 -4 1 600.59 637.48 30.06 o 7 -4 1 972.43 976.98 90.15 o 8 -4 1 205.64 212.90 20.50 o 9 -4 1 116.56 110.51 28.32 o 10 -4 1 274.00 298.54 26.44 o 11 -4 1 32.38 47.80 30.00 o 12 -4 1 94.17 118.66 51.54 o -12 -3 1 0.90 -40.99 45.75 o 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