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The crystal structure of the deca­aluminum alkoxide cluster Al(10)O(4)(OH)(8) L (14) (L = 1,1,1,3,3,3-hexa­fluoro­propan-2-olate)

In the title centrosymmetric cluster compound, hexa­kis­(μ(2)-1,1,1,3,3,3-hexa­fluoro­propan-2-olato)octa­kis­(1,1,1,3,3,3-hexa­fluoro­propan-2-olato)octa-μ(2)-hydroxido-di-μ(4)-oxido-di-μ(3)-oxido-deca­aluminium, [Al(10)(C(3)HF(6)O)(14)(OH)(8)O(4)] (C(42)H(22)Al(10)F(84)O(26)), there is a central μ...

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Detalles Bibliográficos
Autores principales: Butcher, Ray J., Purdy, Andrew P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869542/
https://www.ncbi.nlm.nih.gov/pubmed/33614129
http://dx.doi.org/10.1107/S2056989020016618
Descripción
Sumario:In the title centrosymmetric cluster compound, hexa­kis­(μ(2)-1,1,1,3,3,3-hexa­fluoro­propan-2-olato)octa­kis­(1,1,1,3,3,3-hexa­fluoro­propan-2-olato)octa-μ(2)-hydroxido-di-μ(4)-oxido-di-μ(3)-oxido-deca­aluminium, [Al(10)(C(3)HF(6)O)(14)(OH)(8)O(4)] (C(42)H(22)Al(10)F(84)O(26)), there is a central μ(4)-OAl(4) moiety, which has six edges of which three contain μ(O)-1,1,1,3,3,3-hexa­fluoro­propan-2-olate (L) ligands and two contain μ-OH groups each bridging two Al atoms along an edge. The sixth edge is occupied by a group containing a fifth aluminium atom [bis-μ(OH)-, μ(3)(O)—AlL]. This last μ(3)(O) group generates a centrosymmetric Al(2)O(2) dimer, thus the μ(3)(O) atom is linked to two Al atoms in the asymmetric unit as well as a third Al atom through a center of inversion. Three of the hexa­fluoro­propyl groups of the C(3)HF(6)O(−) ligands are disordered and each was refined with two conformations with occupancies of 0.770 (3)/0.230 (3), 0.772 (3)/0.228 (3) and 0.775 (3)/0.225 (3). The five unique Al centers have coordination numbers varying from four to six with bond angles that show considerable distortions from regular geometry: for the four-coordinate atom, τ(4)′ = 0.886, while three Al atoms are five-coordinate (τ(5) values = 0.098, 1.028, and 0.338) and one is distorted six-coordinate with O—Al—O bond angles ranging from 74.22 (9) to 171.59 (12)°. The geometry about the central O atom in the OAl(4) block is significantly distorted tetra­hedral (τ(4)′ = 0.630) with Al—O—Al angles ranging from 95.50 (9) to 147.74 (13)°. The extended structure features numerous O—H⋯O, O—H⋯F, C—H⋯O and C—H⋯F hydrogen bonds and short F⋯F contacts.