Crystal structure of tricarbon­yl[η4-6-exo-(tri­phenyl­phosphino)cyclo­hepta-2,4-dien-1-one]iron(0) tetra­fluoro­borate

Kelsey C. Wong , Eric W. Reinheimer , Chip Nataro , Daniel R. Griffith , F. Di Salvo (Editor)
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Abstract

The crystal structure of tricarbon­yl[η4-6-exo-(tri­phenyl­phosphino)cyclo­hepta-2,4-dien-1-one]iron(0) tetra­fluoro­borate is described. The two independent tricarbon­yl[η4-6-exo-(tri­phenyl­phosphino)cyclo­hepta-2,4-dien-1-one] iron(0) cations and their corresponding anions form dimers, which constitute the asymmetric unit of the structure within the (100) plane.

The mol­ecular structure of tricarbon­yl[η4-6-exo-(tri­phenyl­phosphino)cyclo­hepta-2,4-dien-1-one]iron(0) tetra­fluoro­borate di­chloro­methane hemisolvate, [Fe(C28H22O4)(CO)3]BF4·0.5CH2Cl2, as determined by single-crystal X-ray diffraction is reported. The two independent tricarbon­yl[η4-6-exo-(tri­phenyl­phosphino)cyclo­hepta-2,4-dien-1-one] iron(0) cations and their corresponding anions form dimers, which constitute the asymmetric unit of the structure parallel to the (100) plane. Solid-state stability within that asymmetric unit as well as between neighboring dimeric units is afforded by C—H⋯O and C—H⋯F hydrogen bonds and C—H⋯π and YX⋯π (Y = B, C; X = F, O) inter­actions, which yield diperiodic sheets and a three-dimensional extended network.

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三碳酰基[η4-6-外-(三苯基膦)环-庚-2,4-二烯-1-酮]铁(0)四氟硼酸盐的晶体结构。
报告了通过单晶 X 射线衍射测定的三碳酰基[η4-6-外-(三苯基膦)环-庚-2,4-二烯-1-酮]铁(0)四氟硼酸二-氯甲烷半溶液[Fe(C28H22O4)(CO)3]BF4-0.5CH2Cl2 的分子结构。两个独立的三碳基[η4-6-外-(三苯基膦)环庚-2,4-二烯-1-酮]铁(0)阳离子及其相应的阴离子形成二聚体,构成了平行于(100)平面的结构不对称单元。C-H⋯O 和 C-H⋯F 氢键以及 C-H⋯π 和 Y-X⋯π(Y = B、C;X = F、O)相互作用,在该不对称单元内部以及相邻二聚单元之间形成了固态稳定性,从而产生了双周期薄片和三维扩展网络。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
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.
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