CRYSTAL AND MOLECULAR STRUCTURE OF [1,2-BIS(DIPHENYLPHOSPHINO)HEXAFLUOROCYCLOPENTENE]DINITROSYLIRON
CRYSTAL AND MOLECULAR STRUCTURE OF [1,2-BIS(DIPHENYLPHOSPHINO)HEXAFLUOROCYCLOPENTENE]DINITROSYLIRON
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DOI：
10.1039/j19710001542
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发表时间：
1971-01-01
期刊：
影响因子：
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通讯作者：
TROTTER, J
中科院分区：
文献类型：
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作者：
HARRISON, W;TROTTER, J
[1,2-双(二苯基膦)六氟环戊烯]二亚硝基硼晶体，Ph2P[图形省略]F2·Fe(NO)2，为单斜晶系，a= 10·342，b= 17·364，c= 16·019 Å，β= 92·46°，Z= 4，空间群P21/n。该结构由 Patterson 和 Fourier 合成确定，并通过使用块矩阵最小二乘计算对 2492 个观察到的反射进行细化至 R 0·044。铁原子周围的配位几何形状是扭曲的四面体； N-Fe-N角125·4°较大，而P-Fe-P角86·8°小于四面体值。铁-氮-氧基团基本上是线性的（177·8和176·8°），其中Fe-N 1·661（7）和1·645（7）Å，以及N-O 1·184（10）和1·177（10）Å。较短的 Fe-N 距离和相对较长的 N-O 距离表明有大量金属通过 NO π* 轨道向配体反馈。
Crystals of [1,2-bis(diphenylphosphino)hexafluorocyclopentene]dinitrosyliron, Ph2P[graphic omitted]F2·Fe(NO)2, are monoclinic, a= 10·342, b= 17·364, c= 16·019 Å, β= 92·46°, Z= 4, space group P21/n. The structure was determined by Patterson and Fourier syntheses and refined by use of block-matrix least-squares calculations to R 0·044 for 2492 observed reflexions. The co-ordination geometry around the iron atom is that of a distorted tetrahedron; the N–Fe–N angle, 125·4°, is larger, while the P–Fe–P angle, 86·8°, is smaller than the tetrahedral value. The iron–nitrogen–oxygen groupings are essentially linear (177·8 and 176·8°), with Fe–N 1·661(7) and 1·645(7)Å, and N–O 1·184(10) and 1·177(10)Å. The short Fe–N and relatively long N–O distances indicate a considerable amount of metal to ligand back-donation through the NO π* orbitals.