Ben. J. Tickner , Richard Gammons , Adrian C. Whitwood , Simon B. Duckett
{"title":"吡嗪桥接多金属铜铱簇合物","authors":"Ben. J. Tickner , Richard Gammons , Adrian C. Whitwood , Simon B. Duckett","doi":"10.1107/S2056989024007151","DOIUrl":null,"url":null,"abstract":"<div><p>The title molecule is centrosymmetric, with a pyrazine ligand bridging two {Cu<sub>10</sub>Ir<sub>3</sub>} cluster units that are arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides.</p></div><div><p>Single crystals of the molecular compound, {Cu<sub>20</sub>Ir<sub>6</sub>Cl<sub>8</sub>(C<sub>21</sub>H<sub>24</sub>N<sub>2</sub>)<sub>6</sub>(C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>)<sub>3</sub>]·3.18CH<sub>3</sub>OH or [({Cu<sub>10</sub>Ir<sub>3</sub>}Cl<sub>4</sub>(IMes)<sub>3</sub>(pyrazine))<sub>2</sub>(pyrazine)]·3.18CH<sub>3</sub>OH [where IMes is 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene], with a unique heterometallic cluster have been prepared and the structure revealed using single-crystal X-ray diffraction. The molecule is centrosymmetric with two {Cu<sub>10</sub>Ir<sub>3</sub>} cores bridged by a pyrazine ligand. The polymetallic cluster contains three stabilizing <em>N</em>-heterocyclic carbenes, four Cl ligands, and a non-bridging pyrazine ligand. Notably, the Cu—Ir core is arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides. The atoms within the tridecametallic cluster are arranged in four planes, with 2, 4, 4, 3 metals in each plane. Ir atoms are present in alternate planes with an Ir atom featuring in the peripheral bimetallic plane, and two Ir atoms featuring on opposite sides of the non-adjacent tetrametallic plane. The crystal contains two disordered methanol solvent molecules with an additional region of non-modelled electron density corrected for using the SQUEEZE routine in <em>PLATON</em> [Spek (2015<span><span>#</span></span>). <em>Acta Cryst.</em> C<strong>71</strong>, 9–18]. The given chemical formula and other crystal data do not take into account the unmodelled methanol solvent molecule(s).</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 890-893"},"PeriodicalIF":0.5000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Pyrazine-bridged polymetallic copper–iridium clusters\",\"authors\":\"Ben. J. Tickner , Richard Gammons , Adrian C. Whitwood , Simon B. Duckett\",\"doi\":\"10.1107/S2056989024007151\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The title molecule is centrosymmetric, with a pyrazine ligand bridging two {Cu<sub>10</sub>Ir<sub>3</sub>} cluster units that are arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides.</p></div><div><p>Single crystals of the molecular compound, {Cu<sub>20</sub>Ir<sub>6</sub>Cl<sub>8</sub>(C<sub>21</sub>H<sub>24</sub>N<sub>2</sub>)<sub>6</sub>(C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>)<sub>3</sub>]·3.18CH<sub>3</sub>OH or [({Cu<sub>10</sub>Ir<sub>3</sub>}Cl<sub>4</sub>(IMes)<sub>3</sub>(pyrazine))<sub>2</sub>(pyrazine)]·3.18CH<sub>3</sub>OH [where IMes is 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene], with a unique heterometallic cluster have been prepared and the structure revealed using single-crystal X-ray diffraction. The molecule is centrosymmetric with two {Cu<sub>10</sub>Ir<sub>3</sub>} cores bridged by a pyrazine ligand. The polymetallic cluster contains three stabilizing <em>N</em>-heterocyclic carbenes, four Cl ligands, and a non-bridging pyrazine ligand. Notably, the Cu—Ir core is arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides. The atoms within the tridecametallic cluster are arranged in four planes, with 2, 4, 4, 3 metals in each plane. Ir atoms are present in alternate planes with an Ir atom featuring in the peripheral bimetallic plane, and two Ir atoms featuring on opposite sides of the non-adjacent tetrametallic plane. The crystal contains two disordered methanol solvent molecules with an additional region of non-modelled electron density corrected for using the SQUEEZE routine in <em>PLATON</em> [Spek (2015<span><span>#</span></span>). <em>Acta Cryst.</em> C<strong>71</strong>, 9–18]. The given chemical formula and other crystal data do not take into account the unmodelled methanol solvent molecule(s).</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 8\",\"pages\":\"Pages 890-893\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024001701\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001701","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
The title molecule is centrosymmetric, with a pyrazine ligand bridging two {Cu10Ir3} cluster units that are arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides.
Single crystals of the molecular compound, {Cu20Ir6Cl8(C21H24N2)6(C4H4N2)3]·3.18CH3OH or [({Cu10Ir3}Cl4(IMes)3(pyrazine))2(pyrazine)]·3.18CH3OH [where IMes is 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene], with a unique heterometallic cluster have been prepared and the structure revealed using single-crystal X-ray diffraction. The molecule is centrosymmetric with two {Cu10Ir3} cores bridged by a pyrazine ligand. The polymetallic cluster contains three stabilizing N-heterocyclic carbenes, four Cl ligands, and a non-bridging pyrazine ligand. Notably, the Cu—Ir core is arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides. The atoms within the tridecametallic cluster are arranged in four planes, with 2, 4, 4, 3 metals in each plane. Ir atoms are present in alternate planes with an Ir atom featuring in the peripheral bimetallic plane, and two Ir atoms featuring on opposite sides of the non-adjacent tetrametallic plane. The crystal contains two disordered methanol solvent molecules with an additional region of non-modelled electron density corrected for using the SQUEEZE routine in PLATON [Spek (2015#). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unmodelled methanol solvent molecule(s).
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.