{"data":{"id":"10.6084/m9.figshare.c.3253975","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.3253975","prefix":"10.6084","suffix":"m9.figshare.c.3253975","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Patel, Ram N.","nameType":"Personal","givenName":"Ram N.","familyName":"Patel","affiliation":[],"nameIdentifiers":[]},{"name":"Singh, Yogendra","nameType":"Personal","givenName":"Yogendra","familyName":"Singh","affiliation":[],"nameIdentifiers":[]},{"name":"Singh, Yogendra Pratap","nameType":"Personal","givenName":"Yogendra Pratap","familyName":"Singh","affiliation":[],"nameIdentifiers":[]},{"name":"Butcher, Raymond J.","nameType":"Personal","givenName":"Raymond J.","familyName":"Butcher","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Synthesis, crystal structure and DFT calculations of octahedral nickel(II) complexes derived from \u003ci\u003eN\u003c/i\u003e′-[(\u003ci\u003eE\u003c/i\u003e)-phenyl(pyridin-2-yl)methylidene]benzohydrazide"}],"publisher":"Figshare","container":{},"publicationYear":2016,"subjects":[{"subject":"Biophysics"},{"subject":"Biochemistry"},{"subject":"29999 Physical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Physical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Physical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Medicine"},{"subject":"Cell Biology"},{"subject":"Pharmacology"},{"subject":"Biotechnology"},{"subject":"59999 Environmental Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Earth and related environmental sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Earth and related environmental sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"39999 Chemical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Cancer"}],"contributors":[],"dates":[{"date":"2016-05-14","dateType":"Created"},{"date":"2016-05-31","dateType":"Updated"},{"date":"2016","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1080/00958972.2016.1189543","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"CC-BY","rightsUri":"http://creativecommons.org/licenses/by/3.0/us"}],"descriptions":[{"description":"The two new nickel(II) complexes, [Ni(HL)(L)](NO\u003csub\u003e3\u003c/sub\u003e)∙H\u003csub\u003e2\u003c/sub\u003eO (\u003cb\u003e1\u003c/b\u003e) and [Ni(L)\u003csub\u003e2\u003c/sub\u003e] (\u003cb\u003e2\u003c/b\u003e) (where HL/L = \u003ci\u003eN\u003c/i\u003e′-[(\u003ci\u003eE\u003c/i\u003e)-phenyl(pyridin-2-yl)methylidene]benzohydrazide), have been synthesized and characterized by elemental analysis, spectroscopic, magnetic susceptibility, and cyclic voltammetric measurements. Single-crystal X-ray analysis of [Ni(HL)(L)](NO\u003csub\u003e3\u003c/sub\u003e)∙H\u003csub\u003e2\u003c/sub\u003eO (\u003cb\u003e1\u003c/b\u003e) and [Ni(L)\u003csub\u003e2\u003c/sub\u003e] (\u003cb\u003e2\u003c/b\u003e) has revealed the presence of a distorted octahedral geometry around nickel(II). The X-ray and spectral characterizations have confirmed the existence of the keto-enol form of the ligands in the complexes. The electronic structures and spectral properties of the ligands and the complexes have been explained by DFT and TDDFT calculations. Superoxide dismutase activity of these complexes has also been measured.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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