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Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κO) tetrakis(methanol-κO)calcium methanol tetrasolvateopen access

Authors
Kim, NamseokNoh, HeesoYoon, SunghoPark, Chan Ryang
Issue Date
Feb-2013
Keywords
data-to-parameter ratio = 19.0; mean σ(C-C) = 0.004 Å; R factor = 0.064; single-crystal X-ray study; T = 200 K; wR factor = 0.165
Citation
Acta Crystallographica Section E: Structure Reports Online, v.69, no.2, pp m122 - m123
Journal Title
Acta Crystallographica Section E: Structure Reports Online
Volume
69
Number
2
Start Page
m122
End Page
m123
URI
https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/45872
DOI
10.1107/S1600536813000044
ISSN
1600-5368
Abstract
In the title compound, [Ca(C19H11F2O 2)2(CH3OH)4]·4CH3OH, the Ca2+ ion is located on an inversion centre and is hexacoordinated by two O atoms of two 4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylate ligands and four O atoms of four methanol ligands, forming a CaO6 polyhedron with a slightly distorted octahedral coordination geometry. The Ca - O - C angle between the carboxylate group and the calcium ion is 171.8 (2)°. Two types of intermolecular hydrogen-bond interactions (C=O⋯H and O - H⋯O) between the carboxylate ligand, the methanol solvent molecules and the coordinating methanol ligands generate a two-dimensional network parallel to (001).
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