<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>78(Pt 11)</volume><submitter>Nather C</submitter><pubmed_abstract>In the crystal structure of the title compound, {[Ni(NCS)&lt;sub>2&lt;/sub>(C&lt;sub>6&lt;/sub>H&lt;sub>7&lt;/sub>N)&lt;sub>2&lt;/sub>]·CH&lt;sub>3&lt;/sub>CN} &lt;sub>&lt;i>n&lt;/i>&lt;/sub> , the Ni&lt;sup>II&lt;/sup> cation is octa-hedrally coordinated by two N-bonding and two S-bonding thio-cyanate anions, as well as two 3-methyl-pyridine coligands, with the thio-cyanate S atoms and the 3-methyl-pyridine N atoms in &lt;i>cis&lt;/i>-positions. The metal cations are linked by pairs of thio-cyanate anions into chains that, because of the &lt;i>cis&lt;/i>-&lt;i>cis&lt;/i>-&lt;i>trans&lt;/i> coordination, are corrugated. These chains are arranged in such a way that channels are formed in which disordered aceto-nitrile solvate mol-ecules are located. This overall structural motif is very similar to that observed in Ni(NCS)&lt;sub>2&lt;/sub>[4-(boc-amino)-pyridine]&lt;sub</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>1097-1102</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC9638983</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Synthesis, crystal structure and properties of &lt;i>catena&lt;/i>-poly[[[bis-(3-methyl-pyridine-κ&lt;i>N&lt;/i>)nickel(II)]-di-μ-1,3-thio-cyanato] aceto-nitrile monosolvate].</pubmed_title><pmcid>PMC9638983</pmcid><pubmed_authors>Nather C</pubmed_authors><pubmed_authors>Krebs C</pubmed_authors><pubmed_authors>Jess I</pubmed_authors></additional><is_claimable>false</is_claimable><name>Synthesis, crystal structure and properties of &lt;i>catena&lt;/i>-poly[[[bis-(3-methyl-pyridine-κ&lt;i>N&lt;/i>)nickel(II)]-di-μ-1,3-thio-cyanato] aceto-nitrile monosolvate].</name><description>In the crystal structure of the title compound, {[Ni(NCS)&lt;sub>2&lt;/sub>(C&lt;sub>6&lt;/sub>H&lt;sub>7&lt;/sub>N)&lt;sub>2&lt;/sub>]·CH&lt;sub>3&lt;/sub>CN} &lt;sub>&lt;i>n&lt;/i>&lt;/sub> , the Ni&lt;sup>II&lt;/sup> cation is octa-hedrally coordinated by two N-bonding and two S-bonding thio-cyanate anions, as well as two 3-methyl-pyridine coligands, with the thio-cyanate S atoms and the 3-methyl-pyridine N atoms in &lt;i>cis&lt;/i>-positions. The metal cations are linked by pairs of thio-cyanate anions into chains that, because of the &lt;i>cis&lt;/i>-&lt;i>cis&lt;/i>-&lt;i>trans&lt;/i> coordination, are corrugated. These chains are arranged in such a way that channels are formed in which disordered aceto-nitrile solvate mol-ecules are located. This overall structural motif is very similar to that observed in Ni(NCS)&lt;sub>2&lt;/sub>[4-(boc-amino)-pyridine]&lt;sub</description><dates><release>2022-01-01T00:00:00Z</release><publication>2022 Nov</publication><modification>2025-04-25T19:35:28.753Z</modification><creation>2025-04-06T08:02:56.21Z</creation></dates><accession>S-EPMC9638983</accession><cross_references><pubmed>36380903</pubmed><doi>10.1107/S2056989022009598</doi></cross_references></HashMap>