RuCl3(C6H5CN)3.0.5(C6H5CN) 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 0010229 CELL PARAMETERS: 9.9810 10.8950 11.5630 80.860 87.600 88.640 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1240.155 Density (g/cm3): 1.475 MAX. ABS. INTENSITY / VOLUME**2: 4.165092373 RIR: 0.920 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.75 83.08 11.4077 0 0 1 2 8.22 54.98 10.7551 0 1 0 2 8.87 35.12 9.9707 1 0 0 2 10.37 100.00 8.5270 0 1 1 2 11.56 18.19 7.6552 1 0 1 2 12.00 67.17 7.3759 1 1 0 2 12.01 60.98 7.3677 -1 0 1 2 12.17 14.58 7.2728 0 -1 1 2 12.21 13.30 7.2496 -1 1 0 2 13.37 2.54 6.6212 1 1 1 2 15.17 8.53 5.8400 -1 -1 1 2 15.54 21.96 5.7038 0 0 2 2 16.48 1.91 5.3775 0 2 0 2 17.08 6.19 5.1909 0 2 1 2 17.61 70.55 5.0355 1 0 2 2 17.79 6.03 4.9854 2 0 0 2 18.21 5.55 4.8706 -1 0 2 2 18.61 6.23 4.7677 1 2 0 2 18.73 33.70 4.7386 0 -1 2 2 18.88 74.00 4.6992 -1 2 0 2 19.00 45.65 4.6703 1 2 1 2 19.03 28.41 4.6641 -1 1 2 2 19.15 24.77 4.6343 2 0 1 2 19.33 27.12 4.5923 0 -2 1 2 19.55 2.46 4.5409 -1 2 1 2 19.71 7.32 4.5048 -2 0 1 2 19.76 35.58 4.4935 -2 1 0 2 20.25 3.78 4.3859 2 1 1 2 20.83 17.76 4.2635 0 2 2 2 21.74 28.17 4.0875 -2 -1 1 2 22.33 4.20 3.9819 1 2 2 2 23.03 4.19 3.8612 -1 2 2 2 23.39 14.61 3.8026 0 0 3 2 23.73 1.26 3.7502 2 1 2 2 24.13 1.88 3.6880 2 2 0 2 24.16 1.44 3.6839 -2 0 2 2 24.33 2.00 3.6589 2 2 1 2 24.48 4.07 3.6364 0 -2 2 2 24.56 1.66 3.6248 -2 2 0 2 24.83 1.90 3.5860 0 3 1 2 24.84 11.60 3.5850 0 3 0 2 25.19 2.47 3.5356 -2 2 1 2 25.59 2.91 3.4817 -1 1 3 2 26.06 9.62 3.4193 0 -1 3 2 26.26 3.46 3.3935 -2 -1 2 2 26.40 3.61 3.3764 -2 -2 1 2 26.57 5.50 3.3551 -1 3 0 2 26.66 25.94 3.3432 -1 3 1 2 26.82 1.51 3.3236 3 0 0 2 27.59 1.24 3.2332 1 2 3 2 27.66 4.05 3.2245 3 0 1 2 27.83 15.31 3.2058 -1 -1 3 2 27.96 15.27 3.1910 3 1 0 2 28.26 1.84 3.1583 -3 0 1 2 28.34 3.60 3.1494 1 3 2 2 28.37 5.47 3.1462 -1 2 3 2 28.40 42.22 3.1423 3 1 1 2 30.27 1.56 2.9527 2 3 1 2 30.60 3.79 2.9211 3 0 2 2 30.98 1.16 2.8870 -2 3 0 2 31.15 1.13 2.8714 0 1 4 2 31.15 2.46 2.8713 -2 3 1 2 31.37 4.16 2.8519 0 0 4 2 31.46 4.33 2.8436 3 2 1 2 31.90 1.36 2.8055 -3 2 0 2 32.36 4.84 2.7666 -1 -2 3 2 32.38 1.42 2.7647 1 3 3 2 32.74 2.29 2.7351 1 -3 2 2 33.00 4.13 2.7146 0 4 1 2 33.00 10.50 2.7144 -1 0 4 2 33.14 1.12 2.7033 -1 3 3 2 33.28 1.69 2.6922 -2 3 2 2 33.30 1.16 2.6903 -3 -1 2 2 33.32 1.33 2.6888 0 4 0 2 33.47 4.90 2.6771 3 2 2 2 33.76 1.13 2.6547 0 -1 4 2 34.47 5.66 2.6017 -1 4 1 2 34.69 1.45 2.5857 1 -1 4 2 34.71 1.07 2.5848 -1 4 0 2 34.78 1.79 2.5791 -1 2 4 2 35.16 2.86 2.5522 3 1 3 2 35.17 2.12 2.5517 3 0 3 2 35.26 6.13 2.5453 -1 -1 4 2 36.06 12.50 2.4910 -1 4 2 2 36.18 1.39 2.4829 -2 -2 3 2 36.55 1.40 2.4586 3 3 0 2 36.60 2.41 2.4551 4 0 1 2 36.87 1.06 2.4377 -3 -2 2 2 36.87 5.32 2.4376 4 1 0 2 37.08 1.86 2.4243 0 -3 3 2 37.17 2.28 2.4191 -4 1 0 2 37.22 1.49 2.4159 -4 0 1 2 37.81 3.40 2.3794 3 3 2 2 37.98 6.85 2.3693 0 -2 4 2 38.01 6.19 2.3674 4 -1 1 2 38.09 2.38 2.3627 1 -3 3 2 38.17 1.79 2.3578 -2 4 1 2 38.31 4.39 2.3496 -2 4 0 2 38.32 1.15 2.3488 -4 -1 1 2 38.55 1.71 2.3352 2 4 2 2 38.61 2.99 2.3320 -2 2 4 2 38.87 1.53 2.3172 4 0 2 2 38.94 4.17 2.3130 -2 -1 4 2 39.10 5.44 2.3036 4 1 2 2 39.24 2.08 2.2962 0 -4 2 2 39.50 1.08 2.2815 0 0 5 2 39.57 3.83 2.2777 4 2 1 2 39.59 1.07 2.2766 4 2 0 2 39.70 1.36 2.2705 -2 4 2 2 40.14 2.78 2.2467 -4 2 0 2 40.21 2.25 2.2430 1 0 5 2 40.30 1.54 2.2380 1 -4 2 2 40.43 1.86 2.2309 0 2 5 2 40.51 2.49 2.2269 -1 1 5 2 40.62 2.95 2.2211 3 1 4 2 40.89 1.94 2.2071 3 3 3 2 40.92 3.00 2.2056 -1 0 5 2 41.75 4.11 2.1635 0 -1 5 2 42.26 1.38 2.1383 1 5 1 2 42.43 2.20 2.1305 3 4 1 2 42.46 1.53 2.1288 2 1 5 2 42.51 2.13 2.1267 0 5 2 2 42.56 3.59 2.1244 4 1 3 2 42.74 2.40 2.1154 -2 4 3 2 43.18 2.89 2.0952 -1 5 0 2 43.56 1.09 2.0776 0 -3 4 2 43.61 2.14 2.0756 4 3 1 2 43.61 1.56 2.0755 -3 4 1 2 43.76 1.09 2.0685 4 -2 2 2 43.81 1.41 2.0666 -1 5 2 2 44.22 1.98 2.0481 0 -4 3 2 44.23 2.22 2.0477 4 2 3 2 44.29 1.30 2.0449 -2 0 5 2 44.32 2.49 2.0438 -4 -2 2 2 44.84 2.42 2.0215 4 3 2 2 44.89 1.23 2.0191 -4 3 1 2 45.12 1.08 2.0093 1 -5 1 2 45.27 1.55 2.0032 -1 -4 3 2 45.27 1.52 2.0030 -2 2 5 2 45.58 1.33 1.9903 0 -2 5 2 45.86 2.27 1.9788 2 5 2 2 45.89 1.72 1.9774 -2 5 1 2 45.89 3.05 1.9774 5 0 1 2 46.02 1.64 1.9721 3 4 3 2 46.31 2.77 1.9604 5 1 1 2 46.46 1.12 1.9547 -5 1 0 2 46.79 2.71 1.9416 -1 -2 5 2 47.47 1.47 1.9152 0 -5 2 2 47.65 1.05 1.9084 4 -2 3 2 47.68 1.06 1.9074 -3 -2 4 2 47.84 1.22 1.9013 0 0 6 2 47.90 2.16 1.8990 5 1 2 2 48.11 2.09 1.8912 2 5 3 2 48.17 2.78 1.8890 -2 3 5 2 48.41 1.69 1.8804 5 2 0 2 48.67 2.04 1.8709 -4 -2 3 2 48.74 1.17 1.8683 -4 -3 2 2 49.39 1.06 1.8454 -1 4 5 2 49.50 1.52 1.8413 3 -1 5 2 49.51 1.39 1.8409 -1 2 6 2 49.53 1.04 1.8405 -5 2 1 2 49.64 1.07 1.8366 5 2 2 2 49.84 1.12 1.8296 5 -2 1 2 49.85 1.22 1.8294 4 4 2 2 49.87 2.64 1.8286 -5 -2 1 2 50.19 1.49 1.8175 3 5 2 2 50.94 1.18 1.7928 1 -4 4 2 51.24 2.10 1.7830 -1 -1 6 2 51.37 1.60 1.7786 -1 6 1 2 51.61 1.56 1.7709 -2 1 6 2 52.88 1.17 1.7314 1 -5 3 2 52.93 1.05 1.7300 -5 3 0 2 53.38 1.17 1.7163 4 0 5 2 53.94 1.28 1.6997 5 -3 1 2 54.68 1.60 1.6785 3 0 6 2 54.93 2.04 1.6716 -2 6 2 2 56.55 1.28 1.6273 -5 -2 3 2 58.69 1.27 1.5731 -2 4 6 2 59.41 1.04 1.5557 4 1 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.