Structures that should be Described in Higher-Symmetry, Centrosymmetric Space Groups
Document Type
Article
Publication Date
1-1-2000
Abstract
The space groups of [(CH3CH2)4N]3 {[(SCH2CH2S)MoS3]2Fe} and [(CH3CH2)4N]2 {[S2CN(C2H5)2]4Fe 4S4} are revised from Cc to C2/c by solving the C2/c structure from the structure factors that are calculated from the Cc structure. The structures are both disordered in one of the tetraethylammonium cations. The space group of [(CH3CH2)4N]3 {[(SCH2CH2S)MoS3]2Fe} · 1/4CH3CN is revised from Pc to P21/c; because of the severe disorder in the cations that was not addressed in the original refinements, only the atomic coordinates of the metal-cluster anions could be revised. The space group of [(CH3CH2)4N]3 {[(CH3)2NCS2Cu]2MoS4} · 2CH3CN (originally described in P1̄) is re-assigned to C2/c. The general descriptions of the structures are unchanged in the higher-symmetry settings. The revised coordinates are given.
Keywords
Mo-Fe(Cu)-S clusters, Simulated intensities, Space-group corrections
Divisions
CHEMISTRY
Publication Title
Jiegou Huaxue
Volume
19
Issue
6
Publisher
Fujian Institute of Research of the Structure of Matter