Controlled heating of single crystals of the previously reported [Köferstein & Robl (2007). Z. Anorg. Allg. Chem. 633, 1127-1130] dihydrate {[Co(pht)(bpy)(H2O)2]·2H2O}n, (II) [where pht is phthalate (C8H4O4) and bpy is 4,4′-bipyridine (C10H8N2)], produced a topotactic transformation into an unreported diaqua anhydrate, namely poly[diaqua(μ2-benzene-1,2-dicarboxylato-κ2O1:O2)(μ2-4,4′-bipyridine-κ2N:N′)-cobalt(II)], [Co(C8H4O4)(C10H8N2)(H2O)2]n, (IIa). The structural change consists of the loss of the two solvent water molecules linking the original two-dimensional covalent substructures which are the 'main frame' of the monoclinic P2/n hydrate (strictly preserved during the transformation), with further reaccommodation of the latter. The anhydrate organizes itself in the orthorhombic system (space group Pmn21) in a disordered fashion, where the space-group-symmetry restrictions are achieved only in a statistical sense, with mirror-related two-dimensional planar substructures, mirrored in a plane perpendicular to [100]. Thus, the asymmetric unit in the refined model is composed of two superimposed mirror-related 'ghosts' of half-occupancy each. Similarities and differences with the parent dihydrate and some other related structures in the literature are discussed. © 2014 International Union of Crystallography.
Documento: | Artículo |
Título: | The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H2O)2]·2H2O}n into orthorhombic [Co(pht)(bpy)(H2O)2]n (pht is phthalate and bpy is 4,4′-bipyridine) |
Autor: | Harvey, M.A.; Suarez, S.; Cukiernik, F.D.; Baggio, R. |
Filiación: | Universidad Nacional de la Patagonia, Sede Trelew, Trelew, Chubut, 9100, Argentina CenPat, CONICET, Puerto Madryn, Chubut, 9120, Argentina Departamento de Química Inorgánica, Analítica y Química, Física, INQUIMAE, CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina |
Palabras clave: | 'average' mirror plane; crystal structure; disorder; robust two-dimensional substructure; topotactic dehydration; Dehydration; Esters; Mirrors; Molecules; Single crystals; Asymmetric unit; Controlled heating; disorder; Mirror plane; Orthorhombic systems; robust two-dimensional substructure; Space-group symmetry; Topotactic transformation; Crystal structure |
Año: | 2014 |
Volumen: | 70 |
Página de inicio: | 978 |
Página de fin: | 982 |
DOI: | http://dx.doi.org/10.1107/S2053229614020427 |
Título revista: | Acta Crystallographica Section C: Structural Chemistry |
Título revista abreviado: | Acta crystallogr., C Struct. Chem. |
ISSN: | 20532296 |
CODEN: | ACSCG |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_20532296_v70_n_p978_Harvey |