caa a22 4500 475847733 CHVBK 20180406123919.0 cr unu---uuuuu 170329e20000301xx s 000 0 eng 10.1023/A:1009000428525 doi (NATIONALLICENCE)springer-10.1023/A:1009000428525 Farrugia Louis Department of Chemistry, University of Glasgow, G12 8QQ, Glasgow, Scotland, U.K. aut Structural Redetermination of Rh4(CO)12 at 293 and 173 K and Analysis of the Thermal Motion in Relation to the Dynamical Behavior [Elektronische Daten] [Louis Farrugia] The structure of Rh4(CO)12 (1) has been redetermined at room temperature and at 173 K. Crystallographic data for 1 at 293 K are as follows: C12O12Rh4, space group P21/c, a=9.209(3), b=11.790(7), c=17.721(8) Å, β=90.46(3)°, V=1924.0(16) Å3, Z=4, 5570 reflections to θ=30.0°, and R=0.030. For 1 at 173 K the data are as follows: space group P21/c, a=9.127(3), b=11.672(6), c=17.492(13) Å, β=90.64(5)°, V=1863.3(18) Å3, Z=4, 3782 reflections to θ=26.3°, and R=0.033. There was no detectable phase change on cooling to 173 K. Crystals of 1 are twinned by pseudo-merohedry, but a satisfactory refinement was obtained by assuming a (100) twinning mirror plane. TLS analysis of the anisotropic displacement parameters at both temperatures has been undertaken. Investigation of the mean square displacement difference between the observed and the rigid body displacement parameters reveals there is a signficant internal motion of the carbonyl ligands relative to the metal skeleton. This motion is consistent with a normal mode or modes of C 3 symmetry. Plenum Publishing Corporation, 2000 thermal motion nationallicence crystal structure nationallicence rhodium carbonyl nationallicence Journal of Cluster Science Kluwer Academic Publishers-Plenum Publishers 11/1(2000-03-01), 39-53 1040-7278 11:1<39 2000 11 10876 https://doi.org/10.1023/A:1009000428525 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1009000428525 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Farrugia Louis Department of Chemistry, University of Glasgow, G12 8QQ, Glasgow, Scotland, U.K aut NATIONALLICENCE 773 0- Journal of Cluster Science Kluwer Academic Publishers-Plenum Publishers 11/1(2000-03-01), 39-53 1040-7278 11:1<39 2000 11 10876 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer