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[1,2-双(二苯基膦基)-1,2-二碳-闭式-十二硼烷-κP,P'][7,8-双(二苯基膦基)-7,8-二碳-巢式-十一硼酸盐-κP,P']金(I)-二氯甲烷-水(2/1/1)

[1,2-Bis(diphenyl-phosphino)-1,2-dicarba-closo-dodeca-borane-κP,P'][7,8-bis-(di-phenyl-phosphino)-7,8-dicarba-nido-undeca-borato-κP,P']gold(I)-dichloro-methane-water (2/1/1).

作者信息

Ioppolo Joseph A, Clegg Jack K, Rendina Louis M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):m603-4. doi: 10.1107/S1600536809014937.

DOI:10.1107/S1600536809014937
PMID:21583823
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977637/
Abstract

The title compound, [Au(C(26)H(30)B(10)P(2))(C(26)H(30)B(9)P(2))]·0.5CH(2)Cl(2)·0.5H(2)O, contains two independent complex mol-ecules in the asymmetric unit. The gold(I) centres display a distorted tetra-hedral geometry. The complex is stablized through weak intra-molecular π-π stacking (Cg⋯Cg = 4.17 Å) and edge-to-face inter-actions (H⋯Cg = 3.21 Å). Adjacent mol-ecules inter-act through C-H⋯π (H⋯Cg = 2.88 Å) and B-H⋯π (H⋯Cg = 3.15 Å) contacts, forming a three-dimensional network, with solvent mol-ecules occupying the cavities. One of the phenyl groups was disordered over two sites with occupancy factors of 0.65 and 0.35.

摘要

标题化合物[Au(C₂₆H₃₀B₁₀P₂)(C₂₆H₃₀B₉P₂)]·0.5CH₂Cl₂·0.5H₂O在不对称单元中包含两个独立的络合分子。金(I)中心呈现出扭曲的四面体几何构型。该络合物通过弱分子内π-π堆积(重心⋯重心 = 4.17 Å)和边对面相互作用(H⋯重心 = 3.21 Å)得以稳定。相邻分子通过C-H⋯π(H⋯重心 = 2.88 Å)和B-H⋯π(H⋯重心 = 3.15 Å)接触相互作用,形成三维网络,溶剂分子占据空穴。其中一个苯基在两个位置上无序分布,占据因子分别为0.65和0.35。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/86d7c0a1d16a/e-65-0m603-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/2937871c0b6d/e-65-0m603-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/48166cf43c38/e-65-0m603-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/86d7c0a1d16a/e-65-0m603-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/2937871c0b6d/e-65-0m603-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/48166cf43c38/e-65-0m603-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6cea/2977637/86d7c0a1d16a/e-65-0m603-fig3.jpg

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