{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["78(Pt 3)"],"submitter":["Nather C"],"pubmed_abstract":["Reaction of Co(ClO<sub>4</sub>)<sub>2</sub>·6H<sub>2</sub>O with cyclam (cyclam = 1,4,8,11-tetra-aza-cyclo-tetra-deca-ne) and Na<sub>3</sub>SbS<sub>4</sub>·9H<sub>2</sub>O (Schlippesches salt) in a mixture of aceto-nitrile and water leads to the formation of crystals of the title compound with the composition {[Co<sub>3</sub>(SbS<sub>4</sub>)<sub>2</sub>(C<sub>10</sub>H<sub>24</sub>N<sub>4</sub>)<sub>3</sub>]·2CH<sub>3</sub>CN·2H<sub>2</sub>O} <sub><i>n</i></sub> or {[(Co-cyclam)<sub>3</sub>(SbS<sub>4</sub>)<sub>2</sub>]·2(aceto-nitrile)·2H<sub>2</sub>O} <sub><i>n</i></sub> . The crystal structure of the title compound consists of three crystallographically independent [Co-cyclam]<sup>2+</sup> cations, which are located on centers of inversion, one [SbS<sub>4</sub>]<sup>3-</sup> anion, one water and one aceto-nitrile mol-ecule that occupy general positions. The aceto-nitrile mol-ecule is disordered over two orientations and was refined using a split model. The Co<sup>II</sup> cations are coordinated by four N atoms of the cyclam ligand and two <i>trans</i>-S atoms of the tetra-thio-anti-monate anion within slightly distorted octa-hedra. The unique [SbS<sub>4</sub>]<sup>3-</sup> anion is coordinated to all three crystallographically independent Co<sup>II</sup> cations and this unit, with its symmetry-related counterparts, forms rings composed of six Co-cyclam cations and six tetra-thio-anti-monate anions that are further condensed into layers. These layers are perfectly stacked onto each other so that channels are formed in which acetontrile solvate mol-ecules that are hydrogen bonded to the anions are embedded. The water solvate mol-ecules are located between the layers and are connected to the cyclam ligands and the [SbS<sub>4</sub>]<sup>3-</sup> anions <i>via</i> inter-molecular N-H⋯O and O-H⋯S hydrogen bonding."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["270-274"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8900515"],"repository":["biostudies-literature"],"pubmed_title":["Synthesis and crystal structure of poly[[di-μ<sub>3</sub>-tetra-thio-anti-monato-tris-[(cyclam)cobalt(II)]] aceto-nitrile disolvate dihydrate] (cyclam = 1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)."],"pmcid":["PMC8900515"],"pubmed_authors":["Nather C","Danker F","Bensch W"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis and crystal structure of poly[[di-μ<sub>3</sub>-tetra-thio-anti-monato-tris-[(cyclam)cobalt(II)]] aceto-nitrile disolvate dihydrate] (cyclam = 1,4,8,11-tetra-aza-cyclo-tetra-deca-ne).","description":"Reaction of Co(ClO<sub>4</sub>)<sub>2</sub>·6H<sub>2</sub>O with cyclam (cyclam = 1,4,8,11-tetra-aza-cyclo-tetra-deca-ne) and Na<sub>3</sub>SbS<sub>4</sub>·9H<sub>2</sub>O (Schlippesches salt) in a mixture of aceto-nitrile and water leads to the formation of crystals of the title compound with the composition {[Co<sub>3</sub>(SbS<sub>4</sub>)<sub>2</sub>(C<sub>10</sub>H<sub>24</sub>N<sub>4</sub>)<sub>3</sub>]·2CH<sub>3</sub>CN·2H<sub>2</sub>O} <sub><i>n</i></sub> or {[(Co-cyclam)<sub>3</sub>(SbS<sub>4</sub>)<sub>2</sub>]·2(aceto-nitrile)·2H<sub>2</sub>O} <sub><i>n</i></sub> . The crystal structure of the title compound consists of three crystallographically independent [Co-cyclam]<sup>2+</sup> cations, which are located on centers of inversion, one [SbS<sub>4</sub>]<sup>3-</sup> anion, one water and one aceto-nitrile mol-ecule that occupy general positions. The aceto-nitrile mol-ecule is disordered over two orientations and was refined using a split model. The Co<sup>II</sup> cations are coordinated by four N atoms of the cyclam ligand and two <i>trans</i>-S atoms of the tetra-thio-anti-monate anion within slightly distorted octa-hedra. The unique [SbS<sub>4</sub>]<sup>3-</sup> anion is coordinated to all three crystallographically independent Co<sup>II</sup> cations and this unit, with its symmetry-related counterparts, forms rings composed of six Co-cyclam cations and six tetra-thio-anti-monate anions that are further condensed into layers. These layers are perfectly stacked onto each other so that channels are formed in which acetontrile solvate mol-ecules that are hydrogen bonded to the anions are embedded. The water solvate mol-ecules are located between the layers and are connected to the cyclam ligands and the [SbS<sub>4</sub>]<sup>3-</sup> anions <i>via</i> inter-molecular N-H⋯O and O-H⋯S hydrogen bonding.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Feb","modification":"2025-04-19T16:20:07.538Z","creation":"2025-04-19T16:20:07.538Z"},"accession":"S-EPMC8900515","cross_references":{"pubmed":["35371547"],"doi":["10.1107/S2056989022001074"]}}