C12H28N(RuCl4(C7H5N)2) Duff C M, Heath G A, Willis A C Acta Crystallographica C46 (1990) 2320-2324 Structural characterization of the RuIII benzonitrile complexes (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3] _database_code_amcsd 0010228 CELL PARAMETERS: 15.6270 13.9360 17.3190 90.000 113.660 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3454.657 Density (g/cm3): 1.053 MAX. ABS. INTENSITY / VOLUME**2: 2.102827596 RIR: 0.650 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.17 8.06 14.3134 1 0 0 2 9.05 100.00 9.7734 -1 1 1 4 10.36 24.47 8.5414 -1 0 2 2 11.16 22.27 7.9316 0 0 2 2 11.72 16.03 7.5509 1 1 1 4 12.15 17.09 7.2824 -1 1 2 4 12.37 25.36 7.1567 2 0 0 2 12.84 5.88 6.8933 0 1 2 4 12.91 15.45 6.8551 -2 0 2 2 13.00 1.21 6.8077 -2 1 1 4 13.91 70.91 6.3663 2 1 0 4 14.14 5.56 6.2651 1 2 0 4 14.26 10.27 6.2118 -1 2 1 4 14.40 7.41 6.1512 -2 1 2 4 14.78 4.18 5.9926 1 0 2 2 16.10 5.21 5.5052 1 1 2 4 16.42 8.88 5.3993 -1 2 2 4 16.63 62.92 5.3307 -1 1 3 4 16.76 9.81 5.2913 2 1 1 4 16.94 11.22 5.2348 0 2 2 4 17.43 3.58 5.0888 -3 0 2 2 17.57 6.54 5.0489 -2 1 3 4 17.77 16.30 4.9925 2 2 0 4 17.94 3.36 4.9438 0 1 3 4 18.15 20.06 4.8867 -2 2 2 4 18.28 38.30 4.8537 -3 1 1 4 18.60 2.87 4.7711 3 0 0 2 19.67 6.29 4.5139 3 1 0 4 19.76 6.96 4.4920 2 0 2 2 19.92 4.21 4.4581 0 3 1 4 19.98 8.94 4.4439 -1 2 3 4 20.08 12.40 4.4210 2 2 1 4 20.10 4.97 4.4185 1 3 0 4 20.18 12.50 4.3996 -1 3 1 4 20.45 5.75 4.3425 -3 1 3 4 20.70 4.84 4.2905 -1 0 4 2 20.77 10.01 4.2766 -2 2 3 4 20.78 1.57 4.2754 2 1 2 4 20.80 15.39 4.2707 -2 0 4 2 21.09 4.49 4.2122 0 2 3 4 21.10 17.54 4.2108 1 1 3 4 21.54 21.68 4.1264 1 3 1 4 21.62 27.96 4.1096 -3 2 2 4 21.67 8.25 4.1005 -1 1 4 4 21.77 13.86 4.0833 -2 1 4 4 21.78 2.37 4.0809 -1 3 2 4 22.42 4.93 3.9658 0 0 4 2 22.43 26.41 3.9635 3 1 1 4 22.69 2.39 3.9195 -3 0 4 2 22.80 16.30 3.9010 -4 0 2 2 22.82 1.37 3.8965 2 3 0 4 23.32 6.22 3.8144 0 1 4 4 23.56 5.77 3.7755 2 2 2 4 23.58 2.64 3.7731 -3 1 4 4 23.68 5.01 3.7566 -4 1 2 4 23.85 5.85 3.7308 1 2 3 4 24.06 8.07 3.6991 -4 1 1 4 24.24 1.14 3.6714 1 3 2 4 24.36 4.22 3.6534 -1 2 4 4 24.45 1.64 3.6412 -2 2 4 4 24.60 8.62 3.6183 -1 3 3 4 24.64 8.98 3.6133 -4 1 3 4 24.69 3.89 3.6059 2 3 1 4 24.88 1.97 3.5784 4 0 0 2 25.05 10.96 3.5555 3 2 1 4 25.26 5.50 3.5263 -2 3 3 4 25.35 1.68 3.5129 3 0 2 2 25.45 8.99 3.4997 2 1 3 4 25.52 18.27 3.4899 0 3 3 4 25.60 9.88 3.4794 1 0 4 2 25.70 3.77 3.4659 4 1 0 4 26.00 13.56 3.4275 -4 0 4 2 26.08 2.36 3.4161 -3 2 4 4 26.19 1.01 3.4029 0 4 1 4 26.33 4.36 3.3852 1 4 0 4 26.52 10.67 3.3609 -4 2 1 4 26.54 2.40 3.3582 -2 1 5 4 27.46 6.73 3.2483 1 4 1 4 27.55 4.03 3.2376 -3 1 5 4 27.62 1.36 3.2292 2 3 2 4 27.65 13.70 3.2260 -1 4 2 4 27.97 2.30 3.1898 0 4 2 4 28.05 1.05 3.1812 -2 4 1 4 28.39 1.23 3.1440 -2 3 4 4 28.45 1.88 3.1368 3 2 2 4 28.49 1.52 3.1325 2 4 0 4 28.59 1.42 3.1224 -5 0 2 2 28.68 12.37 3.1129 1 2 4 4 28.86 7.28 3.0935 0 1 5 4 29.23 1.83 3.0549 -1 2 5 4 29.75 6.19 3.0035 -3 2 5 4 29.83 5.26 2.9956 -3 3 4 4 29.96 1.64 2.9824 -1 4 3 4 30.21 3.86 2.9582 -4 3 1 4 30.30 10.35 2.9500 -5 0 4 2 30.52 4.38 2.9294 2 1 4 4 30.68 7.06 2.9138 -4 3 3 4 30.73 3.33 2.9093 0 4 3 4 31.00 1.56 2.8848 -2 0 6 2 31.11 1.99 2.8748 -3 4 2 4 31.35 1.54 2.8532 2 3 3 4 31.39 3.17 2.8494 -5 2 2 4 31.67 1.38 2.8249 -2 1 6 4 31.95 1.19 2.8014 4 1 2 4 32.09 1.66 2.7895 -3 1 6 4 32.14 2.37 2.7851 -5 2 1 4 32.14 2.62 2.7848 1 3 4 4 32.26 1.87 2.7750 -2 3 5 4 32.52 3.75 2.7530 2 4 2 4 32.53 1.15 2.7526 2 2 4 4 32.54 1.08 2.7513 3 2 3 4 32.74 4.38 2.7355 1 4 3 4 32.97 2.12 2.7166 -5 2 4 4 33.07 2.24 2.7084 -4 0 6 2 33.30 5.72 2.6904 -5 1 5 4 33.67 2.45 2.6620 1 5 1 4 33.88 3.81 2.6457 4 2 2 4 34.10 3.04 2.6296 0 5 2 4 34.23 2.97 2.6199 0 3 5 4 34.44 3.25 2.6040 -3 4 4 4 34.53 1.25 2.5975 0 1 6 4 34.60 2.61 2.5922 5 1 1 4 34.74 2.81 2.5826 3 0 4 2 35.10 1.72 2.5565 -6 1 3 4 35.11 2.00 2.5558 -4 3 5 4 35.27 1.04 2.5444 -6 0 4 2 35.56 1.92 2.5244 -4 2 6 4 35.67 1.97 2.5170 3 3 3 4 35.78 2.54 2.5097 -1 5 3 4 35.84 1.20 2.5055 2 5 1 4 35.85 2.09 2.5049 2 1 5 4 36.09 1.01 2.4889 4 1 3 4 36.34 3.69 2.4721 -6 1 1 4 36.34 1.08 2.4719 0 2 6 4 37.02 2.72 2.4284 -3 1 7 4 37.13 1.05 2.4216 3 2 4 4 37.54 1.01 2.3962 -6 1 5 4 37.99 1.51 2.3683 2 5 2 4 38.01 1.94 2.3674 5 1 2 4 38.28 1.23 2.3514 6 1 0 4 38.47 1.62 2.3398 -4 3 6 4 38.52 1.07 2.3373 -1 5 4 4 38.73 1.45 2.3252 -5 4 2 4 38.77 1.53 2.3227 0 6 0 2 38.97 2.83 2.3110 3 5 1 4 39.18 1.44 2.2994 -4 4 5 4 39.24 2.78 2.2957 1 2 6 4 39.27 2.34 2.2941 5 3 1 4 39.43 4.15 2.2850 -6 0 6 2 39.72 4.30 2.2692 -6 3 3 4 39.95 1.38 2.2570 6 2 0 4 40.05 2.21 2.2513 -5 4 4 4 40.14 1.49 2.2463 -5 1 7 4 40.24 1.36 2.2413 -1 6 2 4 40.32 2.34 2.2368 0 1 7 4 40.39 2.40 2.2329 2 3 5 4 40.47 2.42 2.2291 0 6 2 4 40.82 2.22 2.2105 4 4 2 4 40.84 1.11 2.2096 -6 3 1 4 40.85 2.44 2.2092 2 6 0 4 40.88 2.51 2.2074 2 5 3 4 40.95 2.67 2.2041 -7 1 3 4 41.03 1.14 2.1998 -2 6 2 4 41.45 1.08 2.1782 -3 3 7 4 41.59 1.18 2.1713 -6 2 6 4 41.61 2.81 2.1706 -2 5 5 4 41.99 1.21 2.1518 5 1 3 4 42.28 1.57 2.1377 4 2 4 4 42.33 2.24 2.1354 -4 0 8 2 42.39 1.42 2.1323 -7 1 5 4 42.52 2.02 2.1262 -1 3 7 4 43.02 1.87 2.1027 -7 2 2 4 44.17 1.78 2.0503 -2 2 8 4 44.32 1.13 2.0439 -5 3 7 4 44.35 2.32 2.0426 -1 6 4 4 44.37 2.59 2.0416 -4 2 8 4 44.52 1.06 2.0352 -5 4 6 4 44.64 1.79 2.0301 3 3 5 4 45.40 1.99 1.9975 3 0 6 2 45.49 1.20 1.9939 1 4 6 4 45.66 1.46 1.9870 4 1 5 4 45.76 1.06 1.9828 -7 2 6 4 46.03 1.05 1.9720 5 3 3 4 46.73 1.24 1.9437 1 7 1 4 46.84 1.39 1.9395 -7 1 7 4 47.13 1.30 1.9285 2 1 7 4 47.27 1.33 1.9228 -4 6 4 4 47.34 1.02 1.9202 3 2 6 4 48.68 1.88 1.8706 -8 0 6 2 48.81 1.06 1.8660 -6 5 1 4 49.34 1.50 1.8470 -3 5 7 4 50.27 1.03 1.8150 1 7 3 4 51.21 1.32 1.7839 7 3 1 4 51.40 1.01 1.7778 6 4 2 4 51.86 1.25 1.7629 -5 5 7 4 53.15 1.17 1.7233 0 4 8 4 53.49 1.11 1.7130 -9 1 5 4 58.00 1.35 1.5901 7 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.