Synthesis and Crystal Structure of an Inclusion Compound Mn(SCN)_2(H_2O)_4·2C_6H_(12)N_4

作     者：WANGWen-Guo CHENChang-Neng LIUQiu-Tian 

作者机构：StateKeyLaboratoryofStructuralChemistryFujianInstituteofResearchontheStructureofMatterTheChineseAcademyofSciencesFuzhouFujian350002China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2005年第24卷第7期

页      面：821-823,739页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

基　　金：This work was supported by NNSFC (No. 30170229 and 20271061) 

主　　题：manganese complex crystal structure hexamethylenetetramine 

摘      要：A mononuclear manganese complex Mn(SCN)2(H2O)4?2C6H12N4 (C14H32O4N10MnS2, C6H12N4 = hexamethylenetetramine) has been synthesized. The molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal is of tetragonal, space group P42/mnm with a = 9.5591(7), b = 9.5591(7), c = 13.8253(15) ?, V = 1263.31(19) ?3, Z = 2, Mr = 523.56, Dc = 1.376 g/cm3, μ = 0.727 mm-1, F(000) = 550, Rint = 0.0302, T = 293(2) K, R = 0.0380 and wR = 0.1184 for 549 observed reflections with I 2σ(I). In the crystal the manganese atom is six-coordinated by two nitrogen atoms from isothiocyanato anion and four oxygen atoms from water molecules, completing an octahedral geometry. Hexamethylenetetramine molecules are included in the lattice and connected to Mn(SCN)2(H2O)4 by hydrogen bonding and S…S interac- tions to form a three-dimensional supramolecular architecture.