Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate

The asymmetric unit of the title complex, [Ni(C12H 8N2)3]-S2O8-2C 3H7NO-H2O, consists of a complex [Ni(phen) 3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido-peroxoido-disulfate dianion and DMF...

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Detalles Bibliográficos
Autores principales:	Harvey, M.A., Suarez, S., Doctorovich, F., Baggio, R.
Formato:	JOUR
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_16005368_v69_n1_pm63_Harvey
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_16005368_v69_n1_pm63_Harvey
record_format	dspace
spelling	todo:paper_16005368_v69_n1_pm63_Harvey2023-10-03T16:27:48Z Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate Harvey, M.A. Suarez, S. Doctorovich, F. Baggio, R. The asymmetric unit of the title complex, [Ni(C12H 8N2)3]-S2O8-2C 3H7NO-H2O, consists of a complex [Ni(phen) 3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido-peroxoido-disulfate dianion and DMF is dimethylformamide). The [Ni(phen)3]2+ cation is regular, with an almost ideal NiII bond-valence sum of 2.07 v.u. The group, as well as the water solvent molecule, are well behaved in terms of crystallographic order, but the remaining three molecules in the structure display different kinds of disorder, viz. the two DMF molecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding interactions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C-H O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent molecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation-anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF molecules. The latter are weakly interacting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder. Fil:Suarez, S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Doctorovich, F. 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_16005368_v69_n1_pm63_Harvey
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description	The asymmetric unit of the title complex, [Ni(C12H 8N2)3]-S2O8-2C 3H7NO-H2O, consists of a complex [Ni(phen) 3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido-peroxoido-disulfate dianion and DMF is dimethylformamide). The [Ni(phen)3]2+ cation is regular, with an almost ideal NiII bond-valence sum of 2.07 v.u. The group, as well as the water solvent molecule, are well behaved in terms of crystallographic order, but the remaining three molecules in the structure display different kinds of disorder, viz. the two DMF molecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding interactions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C-H O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent molecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation-anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF molecules. The latter are weakly interacting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder.
format	JOUR
author	Harvey, M.A. Suarez, S. Doctorovich, F. Baggio, R.
spellingShingle	Harvey, M.A. Suarez, S. Doctorovich, F. Baggio, R. Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate
author_facet	Harvey, M.A. Suarez, S. Doctorovich, F. Baggio, R.
author_sort	Harvey, M.A.
title	Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate
title_short	Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate
title_full	Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate
title_fullStr	Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate
title_full_unstemmed	Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate
title_sort	tris(1,10-phenanthroline-κ2 n,n′)nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) n,n-dimethylformamide disolvate monohydrate
url	http://hdl.handle.net/20.500.12110/paper_16005368_v69_n1_pm63_Harvey
work_keys_str_mv	AT harveyma tris110phenanthrolinek2nnnickeliihexaoxidomperoxidodisulfatevinndimethylformamidedisolvatemonohydrate AT suarezs tris110phenanthrolinek2nnnickeliihexaoxidomperoxidodisulfatevinndimethylformamidedisolvatemonohydrate AT doctorovichf tris110phenanthrolinek2nnnickeliihexaoxidomperoxidodisulfatevinndimethylformamidedisolvatemonohydrate AT baggior tris110phenanthrolinek2nnnickeliihexaoxidomperoxidodisulfatevinndimethylformamidedisolvatemonohydrate
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Tris(1,10-phenanthroline-κ2 N,N′)nickel(II) hexaoxido-μ-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate

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