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)

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...

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Autores principales: Harvey, M.A., Suarez, S., Cukiernik, F.D., Baggio, R.
Formato: JOUR
Materias:
'average' mirror plane
crystal structure
disorder
robust two-dimensional substructure
topotactic dehydration
Dehydration
Esters
Mirrors
Molecules
Single crystals
Asymmetric unit
Controlled heating
Mirror plane
Orthorhombic systems
Space-group symmetry
Topotactic transformation
Crystal structure
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_20532296_v70_n_p978_Harvey
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_20532296_v70_n_p978_Harvey2023-10-03T16:38:59Z 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) Harvey, M.A. Suarez, S. Cukiernik, F.D. Baggio, R. '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 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. Fil:Suarez, S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_20532296_v70_n_p978_Harvey
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic '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
spellingShingle '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
Harvey, M.A.
Suarez, S.
Cukiernik, F.D.
Baggio, R.
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)
topic_facet '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
description 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.
format JOUR
author Harvey, M.A.
Suarez, S.
Cukiernik, F.D.
Baggio, R.
author_facet Harvey, M.A.
Suarez, S.
Cukiernik, F.D.
Baggio, R.
author_sort Harvey, M.A.
title 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)
title_short 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)
title_full 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)
title_fullStr 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)
title_full_unstemmed 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)
title_sort 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)
url http://hdl.handle.net/20.500.12110/paper_20532296_v70_n_p978_Harvey
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