Fe O14 Re2 Agron P, Ellison R, Levy H Acta Crystallographica C47 (1991) 913-916 Structure of iron dirhenium tetradecacarbonyl, (Re(CO)5Fe(CO)4Re(CO)5) _cod_database_code 1008494 _database_code_amcsd 0016387 CELL PARAMETERS: 12.0620 14.6790 11.8160 90.000 97.310 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 2075.114 Density (g/cm3): 2.626 MAX. ABS. INTENSITY / VOLUME**2: 31.90933903 RIR: 3.957 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.54 3.45 9.2739 1 1 0 4 11.57 14.68 7.6488 -1 1 1 4 12.06 9.67 7.3395 0 2 0 2 12.74 67.03 6.9467 1 1 1 4 14.24 100.00 6.2204 0 2 1 4 14.81 2.07 5.9820 2 0 0 2 15.12 50.00 5.8600 0 0 2 2 15.75 52.16 5.6258 -2 0 1 2 17.08 14.65 5.1904 -1 1 2 4 17.48 26.39 5.0731 2 0 1 2 18.69 4.61 4.7470 1 1 2 4 19.14 26.93 4.6369 2 2 0 4 19.60 11.01 4.5289 1 3 0 4 19.81 1.07 4.4808 -2 0 2 2 20.68 8.36 4.2946 -1 3 1 4 22.55 4.05 3.9428 2 0 2 2 22.76 2.28 3.9067 0 0 3 2 23.11 3.26 3.8485 3 1 0 4 23.26 12.68 3.8244 -2 2 2 4 24.25 9.08 3.6697 0 4 0 2 25.43 12.54 3.5027 1 3 2 4 25.43 2.30 3.5021 0 4 1 4 25.60 8.81 3.4799 -2 0 3 2 25.60 12.44 3.4796 1 1 3 4 25.65 6.58 3.4734 2 2 2 4 25.84 5.57 3.4486 0 2 3 4 28.70 5.34 3.1102 0 4 2 4 28.84 2.87 3.0956 2 0 3 2 29.05 1.30 3.0736 -2 4 1 4 29.29 2.95 3.0496 3 1 2 4 29.47 23.29 3.0312 -1 3 3 4 29.87 12.05 2.9910 4 0 0 2 29.88 1.17 2.9907 -4 0 1 2 30.05 3.97 2.9734 2 4 1 4 30.51 3.61 2.9300 0 0 4 2 30.54 5.61 2.9272 -3 1 3 4 30.63 18.44 2.9189 3 3 1 4 30.94 6.61 2.8901 1 3 3 4 31.09 2.42 2.8766 -1 1 4 4 31.37 7.18 2.8512 1 5 0 4 31.80 2.12 2.8136 4 0 1 2 31.81 19.53 2.8129 -4 0 2 2 32.08 7.41 2.7899 -1 5 1 4 32.27 4.71 2.7745 -2 0 4 2 32.32 9.40 2.7696 -4 2 1 4 32.54 13.15 2.7513 1 5 1 4 32.92 1.49 2.7212 0 2 4 4 32.96 1.93 2.7179 1 1 4 4 34.13 5.67 2.6272 4 2 1 4 34.14 2.35 2.6266 -4 2 2 4 34.56 4.52 2.5952 -2 2 4 4 34.56 7.06 2.5950 -1 5 2 4 35.39 4.00 2.5366 4 0 2 2 35.55 1.98 2.5251 -2 4 3 4 35.80 5.60 2.5083 2 0 4 2 36.74 9.44 2.4465 0 6 0 2 37.35 6.08 2.4077 1 3 4 4 37.51 1.07 2.3974 4 2 2 4 37.53 4.61 2.3967 -4 2 3 4 37.91 3.04 2.3735 -5 1 1 4 38.06 3.33 2.3643 3 5 0 4 38.26 2.33 2.3522 -3 5 1 4 38.40 1.81 2.3440 0 0 5 2 38.84 1.85 2.3185 4 4 0 4 38.89 3.80 2.3156 3 3 3 4 39.46 1.29 2.2833 -2 0 5 2 39.70 10.05 2.2705 1 5 3 4 39.88 3.70 2.2608 5 1 1 4 39.93 2.97 2.2576 0 6 2 4 40.19 2.66 2.2435 -2 6 1 4 40.24 1.01 2.2412 4 0 3 2 40.25 2.28 2.2404 -4 0 4 2 40.27 6.04 2.2397 -3 3 4 4 40.40 3.08 2.2325 -4 4 2 4 40.62 3.93 2.2211 1 1 5 4 40.94 1.99 2.2044 3 1 4 4 40.95 1.99 2.2036 2 6 1 4 41.41 1.23 2.1803 -2 2 5 4 42.03 3.73 2.1495 5 3 0 4 42.29 6.19 2.1373 3 5 2 4 42.57 2.77 2.1239 -1 3 5 4 42.63 3.08 2.1209 -3 1 5 4 43.21 4.67 2.0939 -3 5 3 4 43.62 6.06 2.0751 -1 5 4 4 45.02 2.17 2.0135 2 2 5 4 45.14 1.46 2.0085 -6 0 1 2 45.31 1.47 2.0014 -2 6 3 4 46.56 1.05 1.9506 -1 1 6 4 46.64 4.07 1.9474 5 3 2 4 46.96 1.35 1.9348 1 7 2 4 47.07 2.39 1.9307 -2 0 6 2 47.42 1.90 1.9173 5 1 3 4 47.55 1.18 1.9122 -4 4 4 4 47.77 1.04 1.9039 4 2 4 4 47.91 2.04 1.8986 -6 2 2 4 48.05 2.03 1.8937 4 6 0 4 48.21 1.32 1.8876 0 2 6 4 48.55 2.71 1.8753 -6 0 3 2 48.96 2.16 1.8605 -5 5 1 4 49.37 3.37 1.8460 -4 6 2 4 49.46 1.32 1.8428 -1 7 3 4 50.17 1.53 1.8185 6 0 2 2 50.22 1.24 1.8167 3 7 1 4 50.33 3.37 1.8128 0 8 1 4 50.58 4.87 1.8047 5 5 1 4 51.00 2.57 1.7908 2 0 6 2 51.20 3.88 1.7843 1 5 5 4 51.46 2.77 1.7757 3 5 4 4 51.86 1.11 1.7630 1 3 6 4 52.14 1.71 1.7542 2 8 0 4 52.23 1.40 1.7514 2 6 4 4 52.58 1.35 1.7406 4 0 5 2 52.89 4.04 1.7311 -3 5 5 4 52.92 2.17 1.7301 -3 3 6 4 53.68 1.15 1.7075 -6 2 4 4 54.00 1.16 1.6980 -2 8 2 4 54.53 1.52 1.6830 -5 3 5 4 54.83 1.02 1.6743 0 0 7 2 54.95 1.63 1.6710 1 7 4 4 56.00 1.44 1.6421 -5 5 4 4 56.28 1.63 1.6347 -1 5 6 4 56.57 1.14 1.6269 -2 2 7 4 56.64 1.02 1.6250 -7 3 1 4 57.03 2.27 1.6149 5 5 3 4 57.25 1.11 1.6093 -3 1 7 4 58.69 1.42 1.5731 7 3 1 4 59.07 1.44 1.5640 -4 8 1 4 59.28 1.17 1.5588 6 0 4 2 60.63 1.33 1.5274 2 2 7 4 62.07 1.07 1.4954 -8 0 2 2 62.92 1.24 1.4771 7 5 0 4 63.36 1.19 1.4679 0 10 0 2 65.56 1.01 1.4239 0 10 2 4 65.88 1.40 1.4177 -3 5 7 4 65.94 1.10 1.4166 -5 5 6 4 67.02 1.12 1.3963 7 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.