<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>69(Pt 6)</volume><submitter>Liu C</submitter><pubmed_abstract>The title compound, [Cu4(C2O4)2(N3)4(C5H9N3)2]·0.9H2O, contains a tetranuclear Cu(II)-based molecule composed of two oxalate-bridged Cu(II) dimers linked through end-on azide ions and related by an inversion center. The tetranuclear unit contains two crystallographically independent Cu(II) ions. One Cu(II) ion coordinates to two N atoms of a histamine mol-ecule, two O atoms of a bridging oxalate ligand, and an N atom of an end-on bridging azide ligand, leading to an elongated square-pyramidal coordination geometry in which the azide ion occupies the axial position. The other Cu(II) ion, which has a square-planar coordination geometry, is coordinated by two O atoms of a bridging oxalate ligand and two N atoms of two different azide ligands, one which is bridging. In the crystal, a two-dimensional network parallel to (010) is formed by N-H⋯N and N-H⋯O hydrogen bonds. A partially occupied solvent water mol-ecule refined to an occupancy of 0.447 (5). Two of the azide ligands were refined as disordered over two sets of sites with refined occupancies in the ratios 0.517 (8):0.483 (8) and 0.553 (5):0.447 (5).</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>m337-8</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3684896</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Di-μ-azido-di-azidodi-μ-oxalato-di-histamine-tetra-copper(II) 0.9-hydrate.</pubmed_title><pmcid>PMC3684896</pmcid><pubmed_authors>Abboud KA</pubmed_authors><pubmed_authors>Liu C</pubmed_authors></additional><is_claimable>false</is_claimable><name>Di-μ-azido-di-azidodi-μ-oxalato-di-histamine-tetra-copper(II) 0.9-hydrate.</name><description>The title compound, [Cu4(C2O4)2(N3)4(C5H9N3)2]·0.9H2O, contains a tetranuclear Cu(II)-based molecule composed of two oxalate-bridged Cu(II) dimers linked through end-on azide ions and related by an inversion center. The tetranuclear unit contains two crystallographically independent Cu(II) ions. One Cu(II) ion coordinates to two N atoms of a histamine mol-ecule, two O atoms of a bridging oxalate ligand, and an N atom of an end-on bridging azide ligand, leading to an elongated square-pyramidal coordination geometry in which the azide ion occupies the axial position. The other Cu(II) ion, which has a square-planar coordination geometry, is coordinated by two O atoms of a bridging oxalate ligand and two N atoms of two different azide ligands, one which is bridging. In the crystal, a two-dimensional network parallel to (010) is formed by N-H⋯N and N-H⋯O hydrogen bonds. A partially occupied solvent water mol-ecule refined to an occupancy of 0.447 (5). Two of the azide ligands were refined as disordered over two sets of sites with refined occupancies in the ratios 0.517 (8):0.483 (8) and 0.553 (5):0.447 (5).</description><dates><release>2013-01-01T00:00:00Z</release><publication>2013 Jun</publication><modification>2024-11-20T22:59:03.974Z</modification><creation>2019-03-27T01:11:44Z</creation></dates><accession>S-EPMC3684896</accession><cross_references><pubmed>23794998</pubmed><doi>10.1107/S1600536813013329</doi></cross_references></HashMap>