<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>65(Pt 7)</volume><submitter>Ou GC</submitter><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).</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>m726</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2969201</full_dataset_link><repository>biostudies-literature</repository><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.</pubmed_title><pmcid>PMC2969201</pmcid><pubmed_authors>Yuan XY</pubmed_authors><pubmed_authors>Ou GC</pubmed_authors><pubmed_authors>Zhang M</pubmed_authors></additional><is_claimable>false</is_claimable><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.</name><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).</description><dates><release>2009-01-01T00:00:00Z</release><publication>2009 Jun</publication><modification>2025-04-04T21:05:07.595Z</modification><creation>2019-03-27T00:00:09Z</creation></dates><accession>S-EPMC2969201</accession><cross_references><pubmed>21582669</pubmed><doi>10.1107/S1600536809020169</doi></cross_references></HashMap>