{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["74(Pt 12)"],"submitter":["Addala A"],"funding":["Direction Générale de la Recherche Scientifique et du Développement Technologique","Université Ferhat Abbas Sétif 1, Algeria"],"pubmed_abstract":["Structures are reported for six closely related salts of tris-(bipyrid-yl)iron(II) cations, namely tris-(2,2'-bi-pyridine)-iron(II) bis-(1,1,3,3-tetra-cyano-2-meth-oxy-propenide) 0.776-hydrate, [Fe(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>8</sub>H<sub>3</sub>N<sub>4</sub>O)<sub>2</sub>.0.776H<sub>2</sub>O, (I), tris-(2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-(propyl-sulfan-yl)propenide perchlor-ate, [Fe(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>10</sub>H<sub>7</sub>N<sub>4</sub>S)(ClO<sub>4</sub>), (II), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-meth-oxy-propenide tetra-fluorido-borate ethanol 0.926-solvate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>8</sub>H<sub>3</sub>N<sub>4</sub>O)(BF<sub>4</sub>).0.926C<sub>2</sub>H<sub>2</sub>O, (III), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-eth-oxy-propenide tetra-fluorido-borate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>9</sub>H<sub>5</sub>N<sub>4</sub>O)(BF<sub>4</sub>), (IV), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-(ethyl-sufanyl)propenide tetra-fluorido-borate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>9</sub>H<sub>5</sub>N<sub>4</sub>S)(BF<sub>4</sub>), (V), and tris-(5,5'-dimethyl-2,2'-bi-pyri-dine)-iron(II) 1,1,3,3-tetra-cyano-2-prop-oxypropenide tetra-fluorido-borate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>10</sub>H<sub>7</sub>N<sub>4</sub>O)(BF<sub>4</sub>), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)<sub>2</sub> units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C-H⋯N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C-N⋯π inter-actions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetra-fluorido-borate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetra-fluorido-borate anions are linked by C-H⋯F inter-actions to form an inter-rupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetra-fluorido-borate anions are linked into <i>C</i> <sub>2</sub> <sup>2</sup>(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetra-fluorido-borate anions are of the <i>C</i> <sub>2</sub> <sup>2</sup>(13) type."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["1717-1726"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6281087"],"repository":["biostudies-literature"],"pubmed_title":["Six tris-(bipyrid-yl)iron(II) complexes with 2-substituted 1,1,3,3-tetra-cyano-propenide, perchlorate and tetra-fluorido-borate anions; order <i>versus</i> disorder, hydrogen bonding and C-N⋯π inter-actions."],"pmcid":["PMC6281087"],"pubmed_authors":["Matsumoto T","Setifi Z","Morimoto Y","Artetxe B","Gutierrez-Zorrilla JM","Glidewell C","Addala A"],"additional_accession":[]},"is_claimable":false,"name":"Six tris-(bipyrid-yl)iron(II) complexes with 2-substituted 1,1,3,3-tetra-cyano-propenide, perchlorate and tetra-fluorido-borate anions; order <i>versus</i> disorder, hydrogen bonding and C-N⋯π inter-actions.","description":"Structures are reported for six closely related salts of tris-(bipyrid-yl)iron(II) cations, namely tris-(2,2'-bi-pyridine)-iron(II) bis-(1,1,3,3-tetra-cyano-2-meth-oxy-propenide) 0.776-hydrate, [Fe(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>8</sub>H<sub>3</sub>N<sub>4</sub>O)<sub>2</sub>.0.776H<sub>2</sub>O, (I), tris-(2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-(propyl-sulfan-yl)propenide perchlor-ate, [Fe(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>10</sub>H<sub>7</sub>N<sub>4</sub>S)(ClO<sub>4</sub>), (II), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-meth-oxy-propenide tetra-fluorido-borate ethanol 0.926-solvate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>8</sub>H<sub>3</sub>N<sub>4</sub>O)(BF<sub>4</sub>).0.926C<sub>2</sub>H<sub>2</sub>O, (III), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-eth-oxy-propenide tetra-fluorido-borate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>9</sub>H<sub>5</sub>N<sub>4</sub>O)(BF<sub>4</sub>), (IV), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-(ethyl-sufanyl)propenide tetra-fluorido-borate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>9</sub>H<sub>5</sub>N<sub>4</sub>S)(BF<sub>4</sub>), (V), and tris-(5,5'-dimethyl-2,2'-bi-pyri-dine)-iron(II) 1,1,3,3-tetra-cyano-2-prop-oxypropenide tetra-fluorido-borate, [Fe(C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>)<sub>3</sub>](C<sub>10</sub>H<sub>7</sub>N<sub>4</sub>O)(BF<sub>4</sub>), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)<sub>2</sub> units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C-H⋯N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C-N⋯π inter-actions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetra-fluorido-borate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetra-fluorido-borate anions are linked by C-H⋯F inter-actions to form an inter-rupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetra-fluorido-borate anions are linked into <i>C</i> <sub>2</sub> <sup>2</sup>(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetra-fluorido-borate anions are of the <i>C</i> <sub>2</sub> <sup>2</sup>(13) type.","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Dec","modification":"2026-07-09T11:59:45.543Z","creation":"2019-03-27T00:13:26Z"},"accession":"S-EPMC6281087","cross_references":{"pubmed":["30574362"],"doi":["10.1107/S2056989018015426"]}}