{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["64(Pt 3)"],"submitter":["Bruhn C"],"pubmed_abstract":["In the title complex, [Ir(C(10)H(15))Cl(2)(C(6)H(7)N(5))]·CH(2)Cl(2) or [Ir(η(5)-C(5)Me(5))Cl(2)(9-MeAde-κN(7))]·CH(2)Cl(2) (9-MeAde = 9-methyl-adenine), the coordination geometry of the Ir(III) atom approximates to a three-legged piano stool. The 9-methyl-adenine ligand is coordinated in a monodentate fashion to the Ir centre through its N-7 atom. The crystal structure contains centrosymmetric pairs of mol-ecules, inter-acting through two N-H⋯N hydrogen bonds. An intra-molecular N-H⋯Cl hydrogen bond is formed between the H atom of an NH(2) group and a chlorido ligand. Further short intra- and inter-molecular C-H⋯Cl contacts are observed."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m455-6"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2960857"],"repository":["biostudies-literature"],"pubmed_title":["Dichlorido(9-methyl-adenine-κN)(η-penta-methyl-cyclo-penta-dien-yl)iridium(III) dichloromethane solvate."],"pmcid":["PMC2960857"],"pubmed_authors":["Steinborn D","Bruhn C","Kuger T"],"additional_accession":[]},"is_claimable":false,"name":"Dichlorido(9-methyl-adenine-κN)(η-penta-methyl-cyclo-penta-dien-yl)iridium(III) dichloromethane solvate.","description":"In the title complex, [Ir(C(10)H(15))Cl(2)(C(6)H(7)N(5))]·CH(2)Cl(2) or [Ir(η(5)-C(5)Me(5))Cl(2)(9-MeAde-κN(7))]·CH(2)Cl(2) (9-MeAde = 9-methyl-adenine), the coordination geometry of the Ir(III) atom approximates to a three-legged piano stool. The 9-methyl-adenine ligand is coordinated in a monodentate fashion to the Ir centre through its N-7 atom. The crystal structure contains centrosymmetric pairs of mol-ecules, inter-acting through two N-H⋯N hydrogen bonds. An intra-molecular N-H⋯Cl hydrogen bond is formed between the H atom of an NH(2) group and a chlorido ligand. Further short intra- and inter-molecular C-H⋯Cl contacts are observed.","dates":{"release":"2008-01-01T00:00:00Z","publication":"2008 Feb","modification":"2025-04-18T22:31:06.589Z","creation":"2019-03-26T23:59:54Z"},"accession":"S-EPMC2960857","cross_references":{"pubmed":["21201851"],"doi":["10.1107/S1600536808003760"]}}