Cu(C21H24N4S3)I3CHCl3 Alyea E C, Ferguson G, Jennings M C, Xu Z Acta Crystallographica C46 (1990) 2347-2349 Structure of a copper(I) complex of a tripodal schiff-base ligand, {tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I) triiodide chloroform solvate _database_code_amcsd 0010239 CELL PARAMETERS: 31.8690 11.4250 18.2150 90.000 96.560 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 6588.720 Density (g/cm3): 1.950 MAX. ABS. INTENSITY / VOLUME**2: 12.26853859 RIR: 2.049 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.58 100.00 15.8302 2 0 0 2 8.23 2.72 10.7467 1 1 0 4 11.18 4.80 7.9151 4 0 0 2 11.41 16.13 7.7522 3 1 0 4 11.81 42.46 7.4951 2 0 2 2 12.04 4.06 7.3527 -3 1 1 4 12.54 36.99 7.0576 -1 1 2 4 14.00 1.14 6.3262 -4 0 2 2 14.41 22.75 6.1473 -3 1 2 4 15.51 2.78 5.7125 0 2 0 2 15.66 4.93 5.6570 3 1 2 4 15.70 41.97 5.6462 4 0 2 2 16.00 9.69 5.5383 5 1 0 4 16.26 10.72 5.4505 -5 1 1 4 16.27 2.41 5.4475 0 2 1 4 16.57 6.09 5.3493 -1 1 3 4 17.03 1.91 5.2064 -2 2 1 4 17.13 1.78 5.1750 1 1 3 4 17.86 7.31 4.9669 -3 1 3 4 18.37 4.59 4.8303 0 2 2 4 18.88 9.28 4.7008 -2 2 2 4 19.16 29.84 4.6321 4 2 0 4 19.39 1.81 4.5780 3 1 3 4 19.46 1.65 4.5613 -4 2 1 4 19.54 11.59 4.5433 2 2 2 4 19.61 1.67 4.5265 5 1 2 4 19.62 1.97 4.5239 0 0 4 2 19.78 9.34 4.4873 -2 0 4 2 20.43 32.30 4.3472 6 0 2 2 20.66 3.72 4.2992 -5 1 3 4 20.95 13.98 4.2398 -4 2 2 4 21.18 5.85 4.1956 -7 1 1 4 21.61 10.32 4.1129 1 1 4 4 21.72 5.40 4.0918 -2 2 3 4 21.90 7.93 4.0584 -3 1 4 4 22.14 7.68 4.0157 4 2 2 4 22.35 1.80 3.9785 -7 1 2 4 22.86 1.95 3.8905 5 1 3 4 22.94 7.29 3.8761 6 2 0 4 23.42 10.43 3.7985 -4 2 3 4 23.48 3.95 3.7882 -8 0 2 2 23.59 12.95 3.7719 3 1 4 4 23.74 21.40 3.7475 4 0 4 2 23.98 2.38 3.7113 -1 3 1 4 24.11 3.00 3.6911 1 3 1 4 24.21 1.59 3.6764 -6 2 2 4 24.27 7.79 3.6676 7 1 2 4 25.11 2.07 3.5465 0 2 4 4 25.24 1.32 3.5288 -2 2 4 4 25.41 1.39 3.5058 -1 3 2 4 25.67 7.11 3.4708 -1 1 5 4 25.75 1.46 3.4594 6 2 2 4 26.24 4.45 3.3964 2 2 4 4 26.27 12.10 3.3930 -6 2 3 4 26.29 2.65 3.3903 1 1 5 4 26.29 5.59 3.3902 -3 1 5 4 26.40 4.48 3.3758 -3 3 2 4 26.66 1.12 3.3438 5 1 4 4 27.40 9.19 3.2556 6 0 4 2 27.40 15.62 3.2555 -8 2 1 4 27.48 3.45 3.2453 -5 3 1 4 27.51 1.41 3.2425 9 1 1 4 28.07 7.85 3.1792 5 3 1 4 28.07 1.67 3.1787 3 1 5 4 28.07 4.34 3.1786 -5 1 5 4 28.19 1.92 3.1660 10 0 0 2 28.40 1.87 3.1431 6 2 3 4 28.48 4.26 3.1338 -3 3 3 4 28.52 2.40 3.1293 -5 3 2 4 29.21 2.94 3.0572 0 2 5 4 29.21 7.79 3.0572 -2 2 5 4 29.33 3.70 3.0448 9 1 2 4 29.64 2.48 3.0138 5 3 2 4 29.96 9.41 2.9827 -8 2 3 4 30.05 7.38 2.9737 8 2 2 4 30.31 9.94 2.9491 -4 2 5 4 30.47 2.00 2.9335 -1 1 6 4 30.49 2.31 2.9319 -4 0 6 2 30.52 6.20 2.9289 7 1 4 4 30.69 3.78 2.9132 7 3 0 4 30.73 1.32 2.9099 -7 3 1 4 30.90 2.98 2.8940 -3 1 6 4 31.11 1.43 2.8749 1 1 6 4 31.24 2.88 2.8629 -3 3 4 4 31.46 2.26 2.8435 7 3 1 4 31.56 1.26 2.8345 -7 3 2 4 31.69 3.24 2.8231 8 0 4 2 31.84 2.30 2.8109 2 4 0 4 32.07 1.42 2.7910 11 1 0 4 32.21 11.26 2.7791 -10 2 1 4 32.33 1.03 2.7692 10 2 0 4 32.40 5.59 2.7635 -6 2 5 4 32.48 1.20 2.7568 3 3 4 4 32.51 3.49 2.7543 -11 1 2 4 32.88 1.00 2.7239 -5 3 4 4 32.88 2.89 2.7238 0 4 2 4 32.99 2.93 2.7153 7 3 2 4 33.21 1.51 2.6973 10 2 1 4 33.35 3.53 2.6867 4 4 0 4 33.58 1.57 2.6690 2 4 2 4 33.86 2.73 2.6472 -11 1 3 4 34.06 1.55 2.6325 -1 3 5 4 34.25 2.74 2.6178 -10 2 3 4 34.71 1.84 2.5843 -7 1 6 4 34.72 5.10 2.5841 9 3 0 4 34.75 1.09 2.5815 0 4 3 4 34.94 7.00 2.5678 -2 4 3 4 35.40 4.31 2.5357 -7 3 4 4 35.50 1.98 2.5286 9 3 1 4 35.68 1.17 2.5165 -3 1 7 4 35.82 4.26 2.5066 -6 4 1 4 35.89 1.85 2.5024 -11 1 4 4 36.07 2.02 2.4904 -4 4 3 4 36.55 1.03 2.4585 12 0 2 2 37.36 2.83 2.4072 -12 2 1 4 37.59 2.02 2.3928 3 1 7 4 37.68 1.75 2.3871 6 4 2 4 37.84 1.01 2.3778 -9 1 6 4 38.03 1.01 2.3661 2 4 4 4 38.04 1.55 2.3656 -2 2 7 4 38.21 1.11 2.3557 5 3 5 4 38.21 1.50 2.3556 -7 3 5 4 38.21 4.24 2.3552 0 2 7 4 38.26 1.49 2.3525 -3 3 6 4 38.42 3.28 2.3431 12 2 1 4 38.43 3.03 2.3422 1 3 6 4 38.54 2.62 2.3361 7 1 6 4 38.65 1.91 2.3296 -9 3 4 4 38.74 2.36 2.3245 -4 2 7 4 38.76 2.10 2.3231 -8 2 6 4 38.87 1.05 2.3169 -8 4 1 4 39.26 2.28 2.2950 2 2 7 4 39.47 2.84 2.2830 -5 3 6 4 39.56 1.65 2.2782 8 4 1 4 39.68 1.91 2.2717 4 4 4 4 39.82 3.70 2.2635 -1 5 1 4 39.83 1.60 2.2633 10 2 4 4 39.93 1.45 2.2576 5 1 7 4 40.22 1.29 2.2421 0 4 5 4 40.58 1.19 2.2230 -3 5 1 4 40.75 1.43 2.2141 -11 3 3 4 40.76 2.82 2.2139 -12 2 4 4 40.79 2.92 2.2120 -13 1 4 4 40.83 1.10 2.2100 3 5 1 4 40.86 1.22 2.2085 8 4 2 4 41.06 4.10 2.1985 2 4 5 4 41.44 1.90 2.1788 11 3 2 4 42.52 2.91 2.1262 1 5 3 4 42.55 2.97 2.1247 5 5 1 4 42.89 1.69 2.1087 -12 0 6 2 43.34 1.38 2.0880 10 4 1 4 43.55 1.20 2.0780 3 5 3 4 43.61 1.26 2.0756 15 1 0 4 43.63 1.98 2.0744 -15 1 2 4 43.76 3.07 2.0689 10 0 6 2 43.87 3.55 2.0636 14 2 1 4 44.17 1.62 2.0504 -10 4 3 4 44.60 1.12 2.0315 12 2 4 4 44.66 1.37 2.0292 -6 2 8 4 45.04 2.41 2.0128 -8 4 5 4 45.92 1.06 1.9761 11 3 4 4 46.60 1.59 1.9488 -10 0 8 2 46.65 1.15 1.9470 -3 3 8 4 46.73 1.59 1.9439 11 1 6 4 47.41 2.12 1.9175 -14 0 6 2 47.88 1.20 1.9000 -4 4 7 4 48.03 1.80 1.8941 -16 0 4 2 48.20 1.15 1.8878 13 3 3 4 48.36 1.35 1.8821 12 0 6 2 48.98 2.07 1.8596 2 2 9 4 49.59 1.02 1.8382 -12 4 4 4 49.90 1.02 1.8277 4 4 7 4 50.03 1.58 1.8233 -12 0 8 2 50.39 1.28 1.8111 -2 6 3 4 50.59 1.04 1.8044 13 3 4 4 50.69 1.10 1.8009 4 2 9 4 50.89 1.46 1.7944 9 5 3 4 51.48 1.40 1.7751 -6 0 10 2 52.80 1.11 1.7338 16 2 3 4 53.20 1.24 1.7218 -8 0 10 2 53.71 1.01 1.7065 -18 0 4 2 56.75 1.11 1.6221 5 5 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.