#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/08/2210875.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_2210875_Fobs loop_ _publ_author_name 'Janse van Rensburg, J. Marthinus' 'Roodt, Andreas' _publ_section_title ; Carbonyl(8-hydroxyquinolinato-\k^2^N,O)[tris(2,3,4,5,6-pentafluorophenyl)phosphine-\kP]rhodium(I) ; _journal_coeditor_code BI2048 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2981 _journal_page_last m2983 _journal_volume 62 _journal_year 2006 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 104.930 _cell_angle_gamma 90.000 _cell_length_a 19.9750 _cell_length_b 12.7640 _cell_length_c 22.2410 _exptl_crystal_F_000 3136.00 _reflns_d_resolution_high 0.7570 _[local]_cod_data_source_file bi2048Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' OXP5Fm in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 715.11 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 206648.58 213264.44 1854.82 o 4 0 0 45786.66 52114.80 1610.24 o 6 0 0 13673.58 14357.87 469.36 o 8 0 0 167202.50 170068.41 2645.09 o 10 0 0 198605.86 206188.97 1080.57 o 12 0 0 3807.87 4532.43 497.63 o 14 0 0 2188.89 1917.02 421.29 o 16 0 0 11701.06 11943.22 760.59 o 18 0 0 20357.59 18664.10 969.82 o 20 0 0 3575.23 3851.01 616.39 o 22 0 0 1617.00 1159.26 573.98 o 24 0 0 1832.86 2372.70 537.72 o 1 1 0 53544.84 53235.54 1114.87 o 3 1 0 54944.18 56727.22 321.88 o 5 1 0 45403.21 47025.02 512.75 o 7 1 0 5888.24 6852.17 270.98 o 9 1 0 8094.32 8463.17 185.42 o 11 1 0 15412.60 15258.72 244.57 o 13 1 0 43727.03 41603.73 1447.66 o 15 1 0 15291.50 15174.13 553.77 o 17 1 0 16.05 -15.87 531.56 o 19 1 0 1875.82 1116.34 374.58 o 21 1 0 11104.41 10206.92 635.77 o 23 1 0 3715.14 3239.64 425.98 o 25 1 0 705.68 933.08 537.42 o 0 2 0 2461.16 2798.30 136.68 o 2 2 0 10659.20 10790.59 133.87 o 4 2 0 41447.02 42423.98 324.10 o 6 2 0 10705.97 11485.01 194.01 o 8 2 0 7459.37 8191.32 236.25 o 10 2 0 2641.03 2630.17 161.79 o 12 2 0 983.39 773.41 161.84 o 14 2 0 2910.28 3146.99 408.57 o 16 2 0 8396.41 8060.68 504.16 o 18 2 0 934.99 800.84 265.07 o 20 2 0 2098.94 1801.09 329.21 o 22 2 0 213.89 222.47 331.60 o 24 2 0 713.11 740.26 493.74 o 1 3 0 79916.36 83214.91 1130.39 o 3 3 0 8449.20 8599.15 344.18 o 5 3 0 16631.61 16298.18 385.60 o 7 3 0 1568.74 2048.16 109.08 o 9 3 0 2754.44 2715.81 132.72 o 11 3 0 20823.63 21500.95 673.12 o 13 3 0 15449.18 14952.37 416.07 o 15 3 0 2737.05 2650.18 280.24 o 17 3 0 127.54 67.91 238.74 o 19 3 0 55.88 11.33 280.02 o 21 3 0 1018.20 633.13 332.57 o 23 3 0 325.85 -704.79 352.40 o 25 3 0 60.27 -393.03 526.48 o 0 4 0 511384.81 490933.50 13293.33 o 2 4 0 77743.87 78140.48 1703.04 o 4 4 0 67.37 144.70 98.44 o 6 4 0 2863.71 3294.76 153.47 o 8 4 0 29940.09 29169.03 487.13 o 10 4 0 50003.88 49842.48 491.77 o 12 4 0 14128.68 13930.60 410.97 o 14 4 0 9818.13 9744.56 512.67 o 16 4 0 7738.25 7599.86 457.76 o 18 4 0 9715.19 9568.93 474.92 o 20 4 0 1241.77 1196.84 322.17 o 22 4 0 524.12 330.66 363.27 o 24 4 0 611.08 619.66 571.15 o 1 5 0 6070.57 6093.06 248.04 o 3 5 0 4217.25 4057.21 184.52 o 5 5 0 459.85 973.88 126.21 o 7 5 0 787.75 1129.64 136.52 o 9 5 0 8541.46 8368.88 394.23 o 11 5 0 15662.96 15264.26 410.45 o 13 5 0 37073.20 35228.18 593.62 o 15 5 0 1196.88 1451.34 266.32 o 17 5 0 130.73 -68.85 248.73 o 19 5 0 830.46 832.71 323.55 o 21 5 0 4104.66 4041.19 420.32 o 23 5 0 1603.41 1385.42 495.78 o 0 6 0 71408.67 71830.38 844.70 o 2 6 0 50830.66 52079.49 827.24 o 4 6 0 10545.38 11164.39 270.34 o 6 6 0 503.14 676.31 140.65 o 8 6 0 16794.83 17409.48 344.37 o 10 6 0 32.59 119.42 155.52 o 12 6 0 14766.69 14959.30 733.28 o 14 6 0 326.48 58.99 186.08 o 16 6 0 1363.84 1431.74 295.64 o 18 6 0 601.30 510.31 311.69 o 20 6 0 859.21 616.47 336.13 o 22 6 0 210.38 -144.26 466.45 o 1 7 0 701.17 511.28 189.39 o 3 7 0 1537.67 1803.81 172.13 o 5 7 0 15873.69 14567.18 405.66 o 7 7 0 1731.37 1758.02 204.87 o 9 7 0 10.06 -19.15 172.49 o 11 7 0 43.72 115.00 207.28 o 13 7 0 1689.72 1919.02 265.79 o 15 7 0 12.63 -0.92 211.01 o 17 7 0 2.23 -308.78 265.63 o 19 7 0 58.83 -3.63 316.77 o 21 7 0 554.77 696.82 447.63 o 23 7 0 517.79 653.79 536.01 o 0 8 0 64223.77 61021.52 909.68 o 2 8 0 14445.60 14720.52 578.30 o 4 8 0 74.76 134.78 159.76 o 6 8 0 3461.70 3566.66 230.15 o 8 8 0 13534.77 13932.87 373.09 o 10 8 0 11736.50 12529.14 475.86 o 12 8 0 1924.57 2292.51 357.74 o 14 8 0 260.29 244.76 259.84 o 16 8 0 2979.03 3118.86 351.96 o 18 8 0 4559.23 5178.63 438.42 o 20 8 0 739.37 732.88 480.81 o 22 8 0 6.85 -702.38 512.71 o 1 9 0 14942.34 14410.53 807.98 o 3 9 0 5006.08 5335.40 349.46 o 5 9 0 2374.77 2339.96 225.80 o 7 9 0 53.17 5.88 189.63 o 9 9 0 4534.24 4333.61 329.34 o 11 9 0 8484.01 8916.33 434.25 o 13 9 0 2039.31 2416.10 322.77 o 15 9 0 1341.83 1467.75 312.52 o 17 9 0 489.46 621.01 319.03 o 19 9 0 571.72 3.40 463.38 o 21 9 0 1589.00 1665.38 786.04 o 0 10 0 15042.42 13747.14 845.41 o 2 10 0 7586.07 8083.99 416.07 o 4 10 0 2020.22 2178.27 325.62 o 6 10 0 2606.17 2630.63 251.41 o 8 10 0 6320.14 6297.10 342.69 o 10 10 0 1935.67 2173.63 267.38 o 12 10 0 68.13 -82.39 257.89 o 14 10 0 1599.51 2121.30 418.42 o 16 10 0 640.25 221.18 417.80 o 18 10 0 314.13 -67.86 653.14 o 20 10 0 313.66 1048.99 757.76 o 1 11 0 240.33 60.86 426.95 o 3 11 0 3335.00 3275.46 330.78 o 5 11 0 4576.80 5006.25 368.88 o 7 11 0 649.32 409.10 263.15 o 9 11 0 110.69 457.06 267.22 o 11 11 0 172.98 139.96 347.88 o 13 11 0 37.25 329.86 383.64 o 15 11 0 230.67 369.34 450.29 o 17 11 0 43.86 86.71 482.68 o 19 11 0 116.39 -859.55 689.90 o 0 12 0 17.74 347.78 514.60 o 2 12 0 1681.35 2177.09 404.83 o 4 12 0 39.24 -437.50 308.74 o 6 12 0 2564.49 2909.23 353.01 o 8 12 0 5061.73 4792.27 404.14 o 10 12 0 4022.40 4744.10 495.72 o 12 12 0 206.02 -312.07 373.62 o 14 12 0 1395.07 1573.60 475.72 o 16 12 0 2655.86 2013.16 752.11 o 1 13 0 1056.55 798.00 412.04 o 3 13 0 1503.27 2287.26 463.70 o 5 13 0 3157.98 3496.86 523.65 o 7 13 0 5176.15 6402.65 459.03 o 9 13 0 56.42 -145.42 336.26 o 11 13 0 6337.26 7008.89 615.44 o 13 13 0 4250.90 4990.82 576.80 o 15 13 0 1259.26 1287.05 571.15 o 0 14 0 8879.53 8394.75 972.65 o 2 14 0 5966.63 6715.95 605.78 o 4 14 0 265.52 -322.92 403.33 o 6 14 0 2374.66 2598.95 403.47 o 8 14 0 6851.17 6857.00 522.07 o 10 14 0 5697.36 5242.70 625.55 o 12 14 0 167.77 109.96 494.47 o 14 14 0 582.52 1862.39 587.64 o 1 15 0 87.06 -365.57 472.81 o 3 15 0 958.75 1919.28 546.35 o 5 15 0 512.41 424.48 590.94 o 7 15 0 13.21 166.46 408.29 o 9 15 0 72.02 -332.73 494.36 o 11 15 0 93.56 216.28 562.74 o 0 16 0 45.04 45.24 777.55 o 2 16 0 0.17 -39.55 529.77 o 4 16 0 6.35 -476.16 519.30 o 6 16 0 82.88 -251.64 529.82 o 8 16 0 43.79 -212.06 814.31 o -25 1 1 39.24 116.60 427.54 o -23 1 1 340.42 419.83 351.11 o -21 1 1 1314.62 1213.73 413.27 o -19 1 1 5367.41 5953.43 484.68 o -17 1 1 11.83 -65.50 265.82 o -15 1 1 732.91 981.06 278.00 o -13 1 1 10184.06 10974.86 480.31 o -11 1 1 34880.54 35290.82 674.82 o -9 1 1 7.57 -105.34 105.94 o -7 1 1 7.99 80.78 103.01 o -5 1 1 45264.99 48390.70 687.42 o -3 1 1 131741.84 135686.86 1767.41 o -1 1 1 19876.34 19937.63 499.53 o 1 1 1 16723.64 17552.44 255.75 o 3 1 1 29500.68 29583.77 469.84 o 5 1 1 155520.80 159428.75 3061.42 o 7 1 1 117092.28 120500.52 2493.83 o 9 1 1 28705.31 29278.87 552.17 o 11 1 1 1964.78 2041.61 147.00 o 13 1 1 8398.89 9762.14 472.02 o 15 1 1 8685.03 8436.88 490.68 o 17 1 1 641.17 647.77 283.14 o 19 1 1 45.43 37.83 264.34 o 21 1 1 1.74 250.23 319.80 o 23 1 1 799.59 798.16 435.51 o 25 1 1 748.53 95.39 532.75 o -24 2 1 2387.35 1934.51 494.37 o -22 2 1 590.61 572.76 329.04 o -20 2 1 304.25 571.50 300.47 o -18 2 1 4450.00 5086.58 432.82 o -16 2 1 11440.70 12791.94 952.86 o -14 2 1 25038.55 25249.42 1565.00 o -12 2 1 4296.90 4400.08 290.44 o -10 2 1 6349.73 6657.89 252.08 o -8 2 1 71316.39 73451.38 1214.80 o -6 2 1 49949.29 50274.53 1650.40 o -4 2 1 17368.82 17663.57 353.01 o -2 2 1 55.23 95.12 51.00 o 0 2 1 4965.66 5176.61 114.59 o 2 2 1 54718.34 55884.03 1367.57 o 4 2 1 3473.60 3383.80 180.79 o 6 2 1 50002.96 49612.39 803.16 o 8 2 1 22848.49 22790.87 286.94 o 10 2 1 23811.52 21482.09 320.48 o 12 2 1 8608.54 8715.21 232.92 o 14 2 1 1175.90 1175.15 225.58 o 16 2 1 442.20 268.26 229.58 o 18 2 1 11229.68 10961.29 474.32 o 20 2 1 14959.07 14262.45 819.22 o 22 2 1 2860.58 2839.06 463.91 o 24 2 1 1.38 250.43 480.76 o -25 3 1 203.01 1036.43 547.03 o -23 3 1 132.72 29.03 354.79 o -21 3 1 1941.97 2013.35 360.84 o -19 3 1 11526.36 10048.18 597.28 o -17 3 1 3419.32 2921.29 309.53 o -15 3 1 191.85 164.84 206.35 o -13 3 1 2916.10 3272.13 209.74 o -11 3 1 21079.47 21589.96 573.15 o -9 3 1 2004.67 2084.90 117.91 o -7 3 1 2120.65 2397.75 157.55 o -5 3 1 43826.53 42592.79 993.34 o -3 3 1 212379.20 212036.31 5541.31 o -1 3 1 11537.15 11357.28 175.24 o 1 3 1 28580.15 29036.15 323.07 o 3 3 1 65559.29 67107.70 914.62 o 5 3 1 30081.42 29805.33 425.07 o 7 3 1 54823.58 54389.86 700.15 o 9 3 1 8847.17 8369.82 204.42 o 11 3 1 4052.32 4568.80 179.38 o 13 3 1 5972.69 5987.97 237.80 o 15 3 1 12098.30 12686.50 441.99 o 17 3 1 6896.42 6841.66 403.28 o 19 3 1 967.13 909.22 291.39 o 21 3 1 2.76 -54.42 316.16 o 23 3 1 1656.53 1184.20 456.68 o -24 4 1 78.10 568.97 491.24 o -22 4 1 96.50 530.46 344.54 o -20 4 1 86.89 179.50 307.37 o -18 4 1 2191.32 2330.30 316.06 o -16 4 1 1536.92 1355.99 265.84 o -14 4 1 452.45 508.86 182.70 o -12 4 1 55.85 61.74 153.40 o -10 4 1 694.08 680.03 120.56 o -8 4 1 2768.57 3093.33 176.80 o -6 4 1 6726.94 6810.02 218.34 o -4 4 1 31104.68 32056.98 975.38 o -2 4 1 82.18 99.99 94.12 o 0 4 1 13512.17 14033.65 287.08 o 2 4 1 6416.11 6409.74 177.27 o 4 4 1 1392.44 1505.50 110.56 o 6 4 1 3466.26 3196.80 205.45 o 8 4 1 59.59 43.29 97.28 o 10 4 1 611.59 544.22 121.61 o 12 4 1 1661.45 1691.58 162.60 o 14 4 1 299.97 52.95 172.18 o 16 4 1 2452.24 2438.41 294.88 o 18 4 1 493.79 178.50 272.70 o 20 4 1 29.75 -330.72 293.33 o 22 4 1 1090.87 875.79 675.76 o 24 4 1 1.35 -193.99 492.76 o -23 5 1 8.55 -114.53 394.93 o -21 5 1 2865.68 2861.49 395.19 o -19 5 1 4268.84 4539.11 388.08 o -17 5 1 1200.11 704.90 275.60 o -15 5 1 2922.72 2551.39 280.93 o -13 5 1 3131.74 3024.26 244.13 o -11 5 1 8182.24 7936.31 270.70 o -9 5 1 6838.85 6827.81 247.14 o -7 5 1 1220.54 1713.75 146.74 o -5 5 1 133.34 69.29 104.04 o -3 5 1 6815.60 6537.55 219.56 o -1 5 1 74531.55 72765.42 647.86 o 1 5 1 60415.00 61519.14 830.26 o 3 5 1 10328.77 10035.34 218.07 o 5 5 1 12451.39 12117.72 235.41 o 7 5 1 35842.43 35326.36 743.34 o 9 5 1 1436.65 1505.91 143.66 o 11 5 1 2600.83 2799.50 200.96 o 13 5 1 1658.38 1974.27 218.16 o 15 5 1 6317.55 6831.67 408.05 o 17 5 1 475.96 497.48 266.67 o 19 5 1 174.58 -30.45 281.78 o 21 5 1 1861.52 1722.78 467.64 o 23 5 1 303.97 465.92 499.72 o -24 6 1 2824.27 2729.84 614.61 o -22 6 1 2451.24 1815.22 418.52 o -20 6 1 242.56 -45.00 315.24 o -18 6 1 5674.36 5601.56 411.71 o -16 6 1 4390.72 4726.19 358.65 o -14 6 1 24433.23 24919.36 598.29 o -12 6 1 8713.64 9295.81 392.76 o -10 6 1 4174.33 4389.67 245.69 o -8 6 1 26960.22 25868.22 859.89 o -6 6 1 41800.32 40332.82 794.87 o -4 6 1 10858.86 10884.83 265.64 o -2 6 1 63.84 270.00 148.31 o 0 6 1 43223.94 41529.69 938.24 o 2 6 1 62933.95 60654.38 827.12 o 4 6 1 39904.50 38622.57 579.41 o 6 6 1 3654.91 3842.90 191.06 o 8 6 1 14728.98 14479.74 334.20 o 10 6 1 21285.11 21188.64 500.34 o 12 6 1 17754.46 17282.37 739.29 o 14 6 1 853.47 844.41 219.38 o 16 6 1 3286.12 3979.57 339.66 o 18 6 1 12787.79 13738.14 566.90 o 20 6 1 7955.14 7985.83 628.73 o 22 6 1 731.95 1206.73 498.15 o -23 7 1 923.36 895.34 530.91 o -21 7 1 7535.24 8115.92 556.10 o -19 7 1 8951.06 8607.69 531.14 o -17 7 1 4978.33 4554.29 386.25 o -15 7 1 1136.48 1264.89 240.06 o -13 7 1 35198.99 33961.11 1086.20 o -11 7 1 56506.59 57022.93 2079.63 o -9 7 1 8787.98 9341.51 318.64 o -7 7 1 377.82 473.22 151.76 o -5 7 1 47033.67 45966.97 1728.34 o -3 7 1 108087.86 103438.45 997.42 o -1 7 1 29560.51 27651.50 488.10 o 1 7 1 1524.58 1438.61 192.55 o 3 7 1 9032.24 8921.35 284.00 o 5 7 1 43810.52 42336.11 505.41 o 7 7 1 54769.43 53192.13 575.52 o 9 7 1 9871.39 9873.68 326.73 o 11 7 1 511.09 700.37 229.32 o 13 7 1 11680.80 12002.06 573.68 o 15 7 1 8702.37 9639.45 455.23 o 17 7 1 2831.67 3095.53 349.05 o 19 7 1 49.96 -114.98 383.48 o 21 7 1 1825.75 1297.81 469.84 o -22 8 1 375.37 219.73 490.81 o -20 8 1 223.55 499.08 365.10 o -18 8 1 4717.87 4697.19 415.68 o -16 8 1 5109.45 5384.94 399.46 o -14 8 1 7636.10 8005.42 437.47 o -12 8 1 234.79 358.81 231.19 o -10 8 1 10593.52 11101.97 517.07 o -8 8 1 6682.61 6690.46 319.96 o -6 8 1 19727.45 19632.69 417.90 o -4 8 1 12778.64 12167.20 331.04 o -2 8 1 5.76 -20.17 182.21 o 0 8 1 27137.13 26755.50 680.24 o 2 8 1 1955.68 1435.31 221.55 o 4 8 1 2299.05 2309.85 208.88 o 6 8 1 7370.55 7325.68 330.16 o 8 8 1 3442.34 3516.20 246.21 o 10 8 1 14539.55 14146.08 388.64 o 12 8 1 816.96 687.50 255.02 o 14 8 1 607.70 701.50 279.14 o 16 8 1 3569.46 4219.19 416.00 o 18 8 1 5869.97 6264.54 464.45 o 20 8 1 3117.19 3282.60 543.28 o 22 8 1 142.79 -369.69 797.35 o -21 9 1 5.73 115.93 715.35 o -19 9 1 228.33 46.00 448.43 o -17 9 1 1.96 -157.98 308.61 o -15 9 1 225.29 641.01 308.42 o -13 9 1 924.69 661.20 274.10 o -11 9 1 192.43 336.26 241.90 o -9 9 1 760.20 629.87 209.98 o -7 9 1 186.66 337.51 190.80 o -5 9 1 5402.47 5165.77 285.58 o -3 9 1 983.13 464.79 311.64 o -1 9 1 1462.54 1721.27 243.62 o 1 9 1 408.63 507.71 222.36 o 3 9 1 8392.22 8528.80 399.67 o 5 9 1 4868.87 4940.58 281.26 o 7 9 1 604.78 395.69 196.35 o 9 9 1 334.31 512.57 212.68 o 11 9 1 3970.24 4489.98 332.69 o 13 9 1 836.85 969.57 281.44 o 15 9 1 738.47 777.29 321.53 o 17 9 1 424.63 595.83 345.59 o 19 9 1 22.96 489.92 742.21 o 21 9 1 134.32 -412.28 500.75 o -20 10 1 0.27 271.44 791.69 o -18 10 1 133.06 340.84 441.63 o -16 10 1 631.71 1092.19 641.83 o -14 10 1 2285.74 2247.06 428.73 o 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63.49 -272.06 661.63 o -10 4 28 4211.09 3743.56 899.13 o -8 4 28 1870.20 2232.28 672.94 o -6 4 28 138.85 -260.61 504.47 o -4 4 28 2006.23 1741.70 596.77 o -2 4 28 1570.28 1278.03 965.58 o -7 5 28 2726.71 2929.88 613.91 o -5 5 28 1834.09 2311.09 590.67 o -9 1 29 6.61 -185.11 531.54 o -7 1 29 620.52 1436.14 550.93 o -5 1 29 863.01 1029.48 562.59 o -3 1 29 615.46 664.33 547.77 o -8 2 29 1179.59 248.66 521.78 o -6 2 29 694.18 1152.34 564.78 o -4 2 29 0.06 10.77 814.31 o