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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

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
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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).
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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)
关键词 crystal structure characterization POLYOXOMETALATES crystal structure, characterization, polyoxometalates
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