Crystal Structure of the 1:2 Stoichiometric Nd: [α-SiW_(11)O_(39)]^(8-): K_5Na_5H_3[Nd(α-SiW_(11)O_(39))_2]·6H_2O  

作　　者：HAN Qiu-Xia WANG Jing-Ping NIU Jing-Yang 

机构地区：[1]Basic Experiment Teaching Center, Henan University, Kaifeng 475001, China [2]Institute of Molecular and Crystal Engineering, School of Chemistry and Chemical Engineering, Henan University, Kaifeng 475001, China

出　　处：《Chinese Journal of Structural Chemistry》2007年第2期234-238,共5页结构化学（英文）

基　　金：The project was supported by the Natural Science Foundation of Henan University (No. XK04YBRW057)

摘　　要：Single-crystal X-ray structural analysis of K5Na5H3[Nd（α-SiW11O39）2]·6H2O （triclinic, space group P1^-, a = 13.7738（10）, b = 19.722（2）, c = 20.6647（15） A, α = 111.0090（10）, β = 105.1740（10）, y = 98.6870（10）°, Z = 2, V = 4867.2（8）, Mr = 5914.40, Dc = 4.026,μ = 26.754 mm^-1, F（000） = 5076, R = 0.0750 and wR = 0.2077） reveals that two [α-SiW11O39]^8- moieties are connected through one Nd atom which is in a square antiprismatic coordination environment by eight oxygen atoms from two [α-SiW11O391]^8- moieties. The Nd（Ⅲ） ion is substituted for a [WO]^4＋ unit in the ＂cap＂ region of the tungsten-oxygen framework of the parent Keggin ion. Disordered Na^＋ cations and water molecules reside outside these channels, leaving empty pores with an intersecting slot （13 A × 10 A）.Single-crystal X-ray structural analysis of K5Na5H3[Nd（α-SiW11O39）2]·6H2O （triclinic, space group P1^-, a = 13.7738（10）, b = 19.722（2）, c = 20.6647（15） A, α = 111.0090（10）, β = 105.1740（10）, y = 98.6870（10）°, Z = 2, V = 4867.2（8）, Mr = 5914.40, Dc = 4.026,μ = 26.754 mm^-1, F（000） = 5076, R = 0.0750 and wR = 0.2077） reveals that two [α-SiW11O39]^8- moieties are connected through one Nd atom which is in a square antiprismatic coordination environment by eight oxygen atoms from two [α-SiW11O391]^8- moieties. The Nd（Ⅲ） ion is substituted for a [WO]^4＋ unit in the ＂cap＂ region of the tungsten-oxygen framework of the parent Keggin ion. Disordered Na^＋ cations and water molecules reside outside these channels, leaving empty pores with an intersecting slot （13 A × 10 A）.

关 键 词：crystal structure characterization POLYOXOMETALATES 

分 类 号：O614.335[理学—无机化学]