{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 7)"],"submitter":["Ou GC"],"pubmed_abstract":["The title compound, [Ni(C(8)H(5)O(4))(C(16)H(36)N(4))]ClO(4)·H(2)O, has the Ni(II) atom in a distorted octa-hedral geometry, surrounded by coordination by four N atoms of the 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a folded configuration, and two carboxyl-ate O atoms of the 2-carboxy-benzoate ligand in cis positions. The complex cation, the disordered perchlorate anion [occupancies 0.639 (8):0.361 (8)] and uncoordinated water mol-ecules engage in N-H⋯O and O-H⋯O hydrogen bonding, forming a layer structure parallel to (010)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m726"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2969201"],"repository":["biostudies-literature"],"pubmed_title":["(2-Carboxy-benzoato-κO,O)(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-κN)nickel(II) perchlorate monohydrate."],"pmcid":["PMC2969201"],"pubmed_authors":["Yuan XY","Ou GC","Zhang M"],"additional_accession":[]},"is_claimable":false,"name":"(2-Carboxy-benzoato-κO,O)(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-κN)nickel(II) perchlorate monohydrate.","description":"The title compound, [Ni(C(8)H(5)O(4))(C(16)H(36)N(4))]ClO(4)·H(2)O, has the Ni(II) atom in a distorted octa-hedral geometry, surrounded by coordination by four N atoms of the 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a folded configuration, and two carboxyl-ate O atoms of the 2-carboxy-benzoate ligand in cis positions. The complex cation, the disordered perchlorate anion [occupancies 0.639 (8):0.361 (8)] and uncoordinated water mol-ecules engage in N-H⋯O and O-H⋯O hydrogen bonding, forming a layer structure parallel to (010).","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Jun","modification":"2025-04-04T21:05:07.595Z","creation":"2019-03-27T00:00:09Z"},"accession":"S-EPMC2969201","cross_references":{"pubmed":["21582669"],"doi":["10.1107/S1600536809020169"]}}