{"title":"A binuclear oxo-bridged iron(III) complex: structure of {(μ-oxo)-bis[cis-chloro-bis(2,2/ -bipyridyl)iron(lll)]} dichloride • 0.7 n-amyl alcohol solvate","authors":"S. R. Choudhury, J. Traquair, J. Vittal","doi":"10.1524/ZKRI.1997.212.1.44","DOIUrl":null,"url":null,"abstract":"The title compound [(μ-O){Fe(C1)(bpy) 2 } 2 ] 2 Cl 2 0.7 C5H 11 OH (bpy = 2,2'-bipyridyl) crystallizes in orthorhombic system with the space group Pnna (No. 52). Crystal data: a = 16.892(2) A, b = 17.656(2) A, c = 16.552(2) A, V = 4936.6(12) A 3 , Z = 4, d calc = 1.286 g.cm -3 . The full-matrix least-squares on F 2 was refined for 1804 reflections with (I > 2σ(I)) and 213 parameters to R1 = 0.0912. A crystallographic 2-fold symmetry is present in the cation, in which the bridging oxygen atom lies on the 2-fold axis and bonded to two Fe atoms. Each iron(III) center has a distorted octahedral geometry with the bpy ligands attached in cis fashion. The Fe-O, Fe-Cl and Fe-N distances respectively are 1.790(2)A, 2.323(3)A and 2.143(8) A-2.279(9)A. Fe-O-Fe angle and the Fe... Fe separations are 167.6(6)° and 3.559(2) A, respectively.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"27 1","pages":"44 - 47"},"PeriodicalIF":0.0000,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift für Kristallographie - Crystalline Materials","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1524/ZKRI.1997.212.1.44","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 4
Abstract
The title compound [(μ-O){Fe(C1)(bpy) 2 } 2 ] 2 Cl 2 0.7 C5H 11 OH (bpy = 2,2'-bipyridyl) crystallizes in orthorhombic system with the space group Pnna (No. 52). Crystal data: a = 16.892(2) A, b = 17.656(2) A, c = 16.552(2) A, V = 4936.6(12) A 3 , Z = 4, d calc = 1.286 g.cm -3 . The full-matrix least-squares on F 2 was refined for 1804 reflections with (I > 2σ(I)) and 213 parameters to R1 = 0.0912. A crystallographic 2-fold symmetry is present in the cation, in which the bridging oxygen atom lies on the 2-fold axis and bonded to two Fe atoms. Each iron(III) center has a distorted octahedral geometry with the bpy ligands attached in cis fashion. The Fe-O, Fe-Cl and Fe-N distances respectively are 1.790(2)A, 2.323(3)A and 2.143(8) A-2.279(9)A. Fe-O-Fe angle and the Fe... Fe separations are 167.6(6)° and 3.559(2) A, respectively.
标题化合物[(μ-O){Fe(C1)(bpy) 2} 2] 2cl 2 0.7 C5H 11 OH (bpy = 2,2′-联吡啶基)与空间基团Pnna (No. 52)在正交体系中结晶。晶体数据:a = 16.892(2) a, b = 17.656(2) a, c = 16.552(2) a, V = 4936.6(12) a 3, Z = 4, d calc = 1.286 g.cm -3。对F 2上1804个(I > 2σ(I))、213个参数的全矩阵最小二乘进行了细化,得到R1 = 0.0912。在阳离子中存在晶体学上的2重对称,其中桥接的氧原子位于2重轴上并与两个铁原子结合。每个铁(III)中心具有扭曲的八面体几何形状,bpy配体以顺式方式连接。Fe-O、Fe-Cl和Fe-N的距离分别为1.790(2)A、2.323(3)A和2.143(8)A-2.279(9)A。Fe- o -Fe角和Fe…Fe的分离度分别为167.6°和3.559°。