Crystal structure of [1,2-bis(dimethylarsino)trifluoroethane]tetracarbonylmolybdenum, (Me2AsCHF·CF2AsMe2)Mo(CO)4

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI:10.1039/J19710002922

I. W. Nowell, J. Trotter

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引用次数: 3

Abstract

Crystals of [1,2-bis(dimethylarsino)trifluoroethane]tetracarbonylmolybdenum, (Me2AsCHF·CF2AsMe2)Mo(CO)4, are orthorhombic, a= 18·26, b= 14·87, c= 12·52 A, Z= 8, space group Pbca. The structure was determined with Mo-Kα diffractometer data by Patterson, electron-density, and full-matrix least-squares methods, the final R being 0·052 for 1757 observed reflexions. The molybdenum atom has a slightly distorted octahedral co-ordination, with As–Mo–As angle 81·9(1)° and Mo–As bond distances 2·563(2) and 2·589(2)A. The five-membered ring is non-planar, with As–C–C–As dihedral angle 22°, and the hydrogen atom in an equatorial position. The C–C bond distance is extremely short, 1·30(2)A, and the axial C–F bond lengths, 1·72(3) and 1·73(2)A, are very significantly longer than the equatorial C–F bond, 1·38(2)A, and than a normal C–F bond, 1·33 A. The C–C–F-(axial) angles are very far from tetrahedral (85 and 82°). These unusual features can be explained by a contribution from an ionic resonance structure, [(Me2AsCH:CFAsMe2)Mo(CO)4]2+2F–.

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[1,2-二甲基三氟乙烷]四羰基钼(Me2AsCHF·CF2AsMe2)Mo(CO)4的晶体结构

[1,2-二(二甲基larsino)三氟乙烷]四羰基钼(Me2AsCHF·CF2AsMe2)Mo(CO)4为正交晶系，a= 18.26, b= 14.87, c= 12.52 a, Z= 8，空间基团为Pbca。利用mo - k - α衍射仪数据、电子密度和全矩阵最小二乘法对其结构进行了测定，1757次反射的最终R为0·052。钼原子具有轻微畸变的八面体配位，其As-Mo-As键角为81·9(1)°，键距分别为2·563(2)和2·589(2)a。五元环呈非平面结构，As-C-C-As二面角为22°，氢原子位于赤道位置。C-C键距离极短，为1·30(2)A，轴向C-F键长度为1·72(3)和1·73(2)A，明显长于赤道C-F键的1·38(2)A和普通C-F键的1·33 A。C-C-F -(轴)角与四面体(85°和82°)相去甚远。这些不寻常的特征可以解释为离子共振结构的贡献，[(Me2AsCH:CFAsMe2)Mo(CO)4]2+2F -。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Journal of The Chemical Society A: Inorganic, Physical, Theoretical

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