Crystal Structure of [Dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat]

IF 0.1 Q4 CRYSTALLOGRAPHY
W. Petz, B. Neumüller
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引用次数: 0

Abstract

refinement for all carbon atoms. The cell contains a heavily disordered THF molecule: therefore, the SQUEEZE function of PLATON 4 was applied. The SQUEEZE procedure omitted about 15.0 e/pm 3 ·10 –6 . These remaining electron densities could be assembled to two strongly disordered THF molecules: one of them with an occupation parameter of 1.0 and the other with an occupation parameter of The crystal structure of the salt [dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat] was determined by X-ray crystallography. The title compound crystallizes in the monoclinic space group with the cell parameters a = 38.858(3)Å, b = 10.851(1)Å, c = 27.666(2)Å, α = 90 ° , β = 109.07(1) ° , γ = 90 ° , V = 11025(2)Å 3 , Z = 8. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F 2 to final values of R 1 = 0.0771 and wR 2 (all data)= 0.1732, T = 100(2)K.
[二氢-六苯基碳二磷][氯化物][三氯-三苯基膦-铂]的晶体结构
所有碳原子的精细化。该细胞含有严重无序的THF分子:因此,应用了PLATON 4的挤压功能。挤压程序省略了约15.0 e/pm 3·10–6。这些剩余的电子密度可以组装成两个强无序的THF分子:其中一个分子的占据参数为1.0,另一个分子占据参数为。盐[二氢六苯基碳二磷][氯][三氯三苯基磷铂]的晶体结构通过X射线晶体学测定。标题化合物在单斜空间群中结晶,晶胞参数a=38.858(3)Å,b=10.851(1)Å、c=27.666(2)Å;α=90°;β=109.07(1)°;γ=90°,V=11025(2)å3;Z=8。晶体结构用直接法求解,并用F2上的全矩阵最小二乘法精确到R1=0.0771和wR2(所有数据)=0.1732,T=100(2)K的最终值。
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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来源期刊
CiteScore
0.60
自引率
50.00%
发文量
17
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