Articles

Tripyridinium cis-tetrachloridodioxidomolybdate(VI) chloride. Abstract In the title compound, (C(5)H(6)N)(3)[MoCl(4)O(2)]Cl, the pyridinium cations are N-H⋯Cl hydrogen bonded to the anionic [MoCl(4)O(2)](2-) complexes and to the two crystallographically independent chloride anions (located on C2 axes). The Mo(6+) centre adopts a highly distorted octa-hedral geometry, being surrounded by four chloride and two terminal oxide groups. The oxide ligands…

Bis(mu-4-phenylpyridine N-oxide-kappa(2)O:O)-bis[bis(1,1,1,5,5,5-hexafluoropentane2,4-dionato)copper(II)]. Abstract The asymmetric unit of the title compound, [Cu(2)(C(5)HF(6)O(2))(4)(C(11)H(9)NO)(2)], contains one half of the centrosymmetric dinuclear complex. The coordination geometry of the Cu(II) atom is octa-hedral, exhibiting a typical Jahn-Teller distortion. One trifluoro-methyl group is rotationally disordered between two orientations in a 1:1 ratio. Ramos Ana I.; Fernandes Jose A.; Silva Patricia; et…

Diaquobis(1,2-ethanediamine-k2N,N’) copper(II) Bis(4-phenylbenzoate) 2.66 hydrate. Abstract In the title complex, [Cu(C2H8N2)(2)(H2O)(2)](C13H9O2)(2)center dot 2.66H(2)O,the Cu-II centre (located at an inversion centre) is coordinated by two bidentate ethylenediamine (en) ligands and two water O atoms in a typical Jahn-Teller distorted octahedral geometry. The amino groups and the water molecules are disordered over two distinct crystallographic positions with…

Crystal Structure Landscapes from combined Vibrational Spectroscopy and ab initio Calculations: 4-(dimethylamino) benzaldehyde. Abstract In this work, the usefulness of the Pairs in Molecular Materials (PiMM) approach to elucidate unknown structures of molecular crystals is assessed. This methodology aims to assist the prediction of probable crystal structures from the vibrational spectra, through the identification of…

3D-2D-0D Stepwise Deconstruction of a Water Framework Templated by a Nanoporous Organic-Inorganic Hybrid Host. Abstract The supramolecular salt [H2pip]3[Ge(hedp)2]⋅14 H2O (1) [H2pip2+=piperazine cation C4H12N22+; hedp5−=deprotonated form of etidronic acid, C2H3P2O75−) is reported. This consists of an organic–inorganic hybrid hydrogen-bonded nanoporous framework, the internal surface of which acts as a template for the three-dimensional (3D) clustering…