CrFe(C5H5)(C11H80)Cl(NO)2 Wang Y P, Hwu J M, Wang S L Acta Crystallographica C46 (1990) 2305-2308 Structure of Cl(NO)2Cr(n5-C5H4)C(O)(n5-C5H4)Fe(n5-C5H5) _database_code_amcsd 0010221 CELL PARAMETERS: 10.9380 12.4870 12.4600 90.000 111.430 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1584.166 Density (g/cm3): 1.725 MAX. ABS. INTENSITY / VOLUME**2: 7.159737944 RIR: 1.351 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.68 17.57 10.1818 1 0 0 2 10.41 2.10 8.4982 0 1 1 4 11.21 1.00 7.8911 1 1 0 4 11.64 5.33 7.6017 -1 1 1 4 14.19 7.20 6.2435 0 2 0 2 14.56 70.14 6.0853 -1 0 2 2 15.26 1.65 5.8045 1 1 1 4 15.28 6.46 5.7993 0 0 2 2 16.12 50.57 5.4976 0 2 1 4 16.20 7.58 5.4703 -1 1 2 4 16.66 3.65 5.3225 1 2 0 4 16.95 100.00 5.2310 -1 2 1 4 17.42 71.41 5.0909 2 0 0 2 18.52 12.33 4.7909 -2 0 2 2 19.64 38.31 4.5212 1 2 1 4 20.20 6.00 4.3956 1 0 2 2 20.91 8.91 4.2491 0 2 2 4 21.64 33.73 4.1067 -2 2 1 4 22.54 30.26 3.9455 2 2 0 4 22.70 20.21 3.9177 0 3 1 4 23.08 5.03 3.8528 1 3 0 4 23.40 2.48 3.8009 -2 2 2 4 24.10 1.21 3.6932 0 1 3 4 24.34 1.17 3.6570 -2 1 3 4 24.77 3.97 3.5942 1 2 2 4 25.10 6.57 3.5484 -3 0 2 2 25.52 2.92 3.4901 -3 1 1 4 25.83 12.36 3.4494 2 2 1 4 26.11 3.72 3.4132 -3 1 2 4 26.36 1.06 3.3815 0 3 2 4 27.21 1.82 3.2779 2 0 2 2 27.23 1.70 3.2751 3 1 0 4 27.35 4.21 3.2614 -2 2 3 4 28.15 1.37 3.1705 2 1 2 4 28.41 2.30 3.1413 -3 2 1 4 28.59 6.45 3.1218 0 4 0 2 28.77 3.66 3.1034 -1 0 4 2 28.94 2.59 3.0850 -3 2 2 4 29.35 2.06 3.0426 -2 0 4 2 29.63 4.11 3.0145 0 4 1 4 30.23 1.44 2.9562 -2 1 4 4 30.84 6.70 2.8996 0 0 4 2 31.08 1.54 2.8776 1 2 3 4 31.46 2.82 2.8435 -3 2 3 4 31.58 1.52 2.8327 0 3 3 4 32.21 6.20 2.7790 -1 2 4 4 32.23 1.74 2.7776 -1 4 2 4 32.47 3.41 2.7577 -3 0 4 2 32.57 3.59 2.7488 0 4 2 4 32.74 2.01 2.7351 -2 2 4 4 33.07 1.56 2.7091 -2 4 1 4 33.34 1.23 2.6874 3 2 1 4 33.68 1.69 2.6613 2 4 0 4 34.29 1.92 2.6155 -2 4 2 4 34.63 1.37 2.5904 2 1 3 4 34.84 1.22 2.5752 2 3 2 4 35.14 2.60 2.5538 1 0 4 2 35.15 1.36 2.5532 -4 1 3 4 35.18 12.49 2.5509 3 0 2 2 35.26 4.63 2.5454 4 0 0 2 35.26 1.25 2.5452 1 4 2 4 35.43 1.74 2.5339 -3 3 3 4 35.95 1.57 2.4983 -4 2 2 4 36.10 1.38 2.4880 -1 3 4 4 36.87 5.83 2.4378 2 2 3 4 36.95 2.06 2.4328 -2 1 5 4 37.01 3.35 2.4288 0 4 3 4 37.06 1.36 2.4255 1 5 0 4 37.13 1.40 2.4216 3 3 1 4 37.18 2.38 2.4184 -2 4 3 4 37.36 6.34 2.4067 -4 2 3 4 37.99 2.70 2.3682 -3 4 1 4 38.87 1.61 2.3171 -3 1 5 4 38.98 1.48 2.3104 -1 5 2 4 40.74 1.41 2.2146 -2 5 2 4 41.73 1.36 2.1646 2 1 4 4 41.93 1.55 2.1545 3 4 1 4 43.27 1.07 2.0911 -2 5 3 4 43.68 2.50 2.0724 1 1 5 4 43.80 1.37 2.0668 -3 4 4 4 44.70 1.34 2.0273 -5 2 1 4 45.31 1.36 2.0016 -4 4 3 4 45.54 1.14 1.9918 1 2 5 4 45.67 1.28 1.9865 2 5 2 4 45.94 1.52 1.9753 3 4 2 4 46.09 1.42 1.9692 -1 6 2 4 46.96 1.39 1.9348 3 3 3 4 46.96 1.77 1.9347 -1 4 5 4 47.01 1.36 1.9331 0 0 6 2 47.18 2.89 1.9264 2 6 0 4 48.14 1.72 1.8903 -4 1 6 4 48.15 1.25 1.8898 3 0 4 2 48.37 1.39 1.8816 -3 4 5 4 48.39 2.27 1.8810 1 6 2 4 49.03 2.37 1.8581 -2 3 6 4 49.42 1.17 1.8441 -5 3 4 4 49.77 3.02 1.8320 -5 2 5 4 50.12 1.18 1.8200 4 1 3 4 50.41 2.56 1.8102 5 2 1 4 50.77 1.00 1.7984 -6 1 3 4 50.86 1.52 1.7952 -3 6 2 4 51.81 2.53 1.7646 4 2 3 4 52.13 1.28 1.7544 -1 5 5 4 52.17 1.51 1.7532 0 3 6 4 52.36 2.13 1.7473 -3 1 7 4 52.44 1.62 1.7449 -6 2 3 4 52.49 1.48 1.7433 1 4 5 4 52.67 1.40 1.7377 -4 3 6 4 52.98 1.27 1.7285 -1 6 4 4 53.10 1.20 1.7247 4 4 2 4 53.17 1.76 1.7226 -1 1 7 4 53.58 1.03 1.7103 -2 2 7 4 54.79 1.50 1.6755 -1 2 7 4 54.97 1.09 1.6703 5 2 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.