单斜晶系
八面体
质子化
结晶学
晶体结构
化学
离子
Crystal(编程语言)
计算机科学
有机化学
程序设计语言
作者
Z.M. James,Yunhe Cai,Paz Vaqueiro
标识
DOI:10.1107/s2056989021007799
摘要
Single crystals of tris(2,3,4,6,7,8,9,10-octahydropyrimido[1,2- a ]azepin-1-ium) tri-μ 2 -iodido-bis[triiodidobismuth(III)], (C 9 H 17 N 2 ) 3 [Bi 2 I 9 ], were prepared by a solvothermal method, heating a mixture of BiI 3 , KI, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and ethanol at 443 K for six days. The asymmetric unit of the title compound, which crystallizes in the monoclinic space group P 2 1 / c , contains one [Bi 2 I 9 ] 3− anion and three protonated DBUH + moieties. The dinuclear [Bi 2 I 9 ] 3− anions, which are composed of face-sharing BiI 6 3− octahedra, are packed in columns parallel to the [010] direction, and separated by protonated DBUH + moieties. The optical band gap of (C 9 H 7 N 2 ) 3 Bi 2 I 9 is 2.1 eV.
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