单核铁(II)配合物,三(1,10-菲咯啉-κ2N,N′)铁(Ⅱ)双(六氟磷酸盐)的晶体结构

IF 0.1 Q4 CRYSTALLOGRAPHY
Ryusei Hoshikawa, R. Mitsuhashi, M. Mikuriya, H. Sakiyama
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引用次数: 1

摘要

包括在表1中。该结构通过本征相位法求解,并使用傅立叶技术进行扩展。非氢原子被各向异性地细化,氢原子被使用骑行模型细化。使F2上的全矩阵最小二乘精化的最后一个循环与单核铁(II)配合物满意地收敛,合成了[Fe(phen)][PF,并用单晶X射线方法对其进行了表征。该化合物在单斜空间群C2/C和Z=8中结晶,晶胞参数为a=36.529(4)Å,b=15.8597(16)Å、C=11.7747(12)Å。β=100.528(2)°,V=6706.7(12)å3。R1[I>2σ(I)]和wR2(所有数据)值分别为0.0631和0.1787,对于所有8068个独立反射。尽管存在对称的三(1,10-菲罗啉)环境,铁(II)周围的对称性
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal Structure of a Mononuclear Iron(II) Complex, Tris(1,10-phenanthroline-κ2N,N′)iron(II) Bis(hexafluoridophosphate)
included in Table 1. The structure was solved by intrinsic phasing methods and expanded using Fourier techniques. The non-hydrogen atoms were refined anisotropically, and hydrogen atoms were refined using the riding model. The final cycle of a full-matrix least-squares refinement on F 2 was allowed to satisfactory converge with mononuclear iron(II) complex, [Fe(phen) ][PF was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the monoclinic space group C 2/ c and Z = 8 with cell parameters a = 36.529(4)Å, b = 15.8597(16)Å, c = 11.7747(12)Å, β = 100.528(2) ° , V = 6706.7(12)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0631 and 0.1787, respectively, for all 8068 independent reflections. Despite the symmetrical tris(1,10-phenanthroline) environment, the symmetry around the iron(II)
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来源期刊
CiteScore
0.60
自引率
50.00%
发文量
17
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