Structure of 2,2'‐(2,4‐pyrimidinediyldioxy)bis(2,4,4,6,6‐pentachloro‐1,3,5,2λ5,4λ5,6λ5‐triazatriphosphorine) at 130 K
Structure of 2,2'‐(2,4‐pyrimidinediyldioxy)bis(2,4,4,6,6‐pentachloro‐1,3,5,2λ5,4λ5,6λ5‐triazatriphosphorine) at 130 K
复制标题
130 K 时 2,2-(2,4-嘧啶二基二氧基)双(2,4,4,6,6-五氯-1,3,5,2λ5,4λ5,6λ5-三氮杂三磷碱)的结构
DOI：
10.1107/s0108270191009447
复制
发表时间：
1992
期刊：
影响因子：
--
通讯作者：
K. Brandt
中科院分区：
文献类型：
--
作者：
F. Bolhuis;A. Meetsma;J. C. Grampel;K. Brandt
C4H2Cl10N8O2P6，M(r) = 734.48，单斜晶系，P2(1)/a，a = 8.365 (8)，b = 22.654 (2)，c = 13.436 (5) 埃，beta = 107.70 (5) 度，V = 2426 (3) 埃 3，Z = 4、D(x) = 2.011 g cm-3、lambda(Mo K-alphaBAR) = 0.71073、mu = 15.7 cm-1、F(000) = 1432、T = 130 K、R(F) = 0.026（对于 I 大于或等于 3-sigma(I) 和 279 的 3530 个唯一反射）参数。该分子由两个 N3P3Cl5 片段组成，两个片段通过 P-O-C 桥通过嘧啶二基二氧基偶联在一起。平均 P-N 键长为 1.579 (1) 埃，P-Cl 键长范围为 1.976 (2) 至 2.003 (2) 埃。 N-C键的长度[1.316(5)-1.343(5)埃]和C-C键的长度[平均值1.380(7)埃]反映了有机杂环的芳香特征。
C4H2Cl10N8O2P6, M(r) = 734.48, monoclinic, P2(1)/a, a = 8.365 (8), b = 22.654 (2), c = 13.436 (5) angstrom, beta = 107.70 (5)-degrees, V = 2426 (3) angstrom 3, Z = 4, D(x) = 2.011 g cm-3, lambda(Mo K-alphaBAR) = 0.71073, mu = 15.7 cm-1, F(000) = 1432, T = 130 K, R(F) = 0.026 for 3530 unique reflections with I greater-than-or-equal-to 3-sigma(I) and 279 parameters. The molecule consists of two N3P3Cl5 fragments coupled together by a pyrimidinediyldioxy group via P-O-C bridges. The mean P-N bond length is 1.579 (1) angstrom, the P-Cl bond lengths vary from 1.976 (2) to 2.003 (2) angstrom. The lengths of the N-C bonds [1.316 (5)-1.343 (5) angstrom] and C-C bonds [mean value 1.380 (7) angstrom] reflect the aromatic character of the organic heterocycle.