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Structural Study of Polymorphism in [La(Gly)3·2H2O](ClO4)3
Journal of Chemical Crystallography ( IF 0.4 ) Pub Date : 2021-01-02 , DOI: 10.1007/s10870-020-00871-0
A. V. Knyazev , A. K. Alahmad , N. V. Somov , S. S. Knyazeva , A. V. Markin

Abstract The crystal structures of [La(Gly) 3 ·2H 2 O](ClO 4 ) 3 were determined by X-ray diffraction analysis at temperatures 100 K and 300 K: space group P $$\overline{1}$$ 1 ¯ , a = 10.58650(10), b = 12.9131(2), c = 16.4845(2) Å, α = 86.3970(10), β = 76.6550(10), γ = 72.4450(10)°, Z = 4; R = 0.0367 (T = 100 K); space group P $$\overline{1}$$ 1 ¯ , a = 8.77980(10), b = 10.75560(10), c = 13.0038(2) Å, α = 71.5090(10), β = 82.8020(10), γ = 67.2400(10)°, Z = 2; R = 0.0245 (T = 300 K). The study revealed features of structural changes in the phase transition. The method of differential scanning calorimetry determined the temperature of the phase transition (T tr = 283 K). The method of molecular Voronoi−Dirichlet polyhedra was used for the analysis of polymorphism in [La(Gly) 3 ·2H 2 O](ClO 4 ) 3 . Graphic Abstract The crystal structures of [La(Gly)3·2H2O](ClO4)3 were determined by X-ray diffraction analysis (T= 100K and 300K) and the study revealed features of structural changes in the phase transition. Structural changes at the phase transition in [La(Gly) 3 ·2H 2 O](ClO 4 ) 3 .

中文翻译:

[La(Gly)3·2H2O](ClO4)3多态性的结构研究

摘要 [La(Gly) 3 ·2H 2 O](ClO 4 ) 3 的晶体结构在 100 K 和 300 K 下通过 X 射线衍射分析确定:空间群 P $$\overline{1}$$ 1 ¯ , a = 10.58650(10), b = 12.9131(2), c = 16.4845(2) Å, α = 86.3970(10), β = 76.6550(10), γ = 72.4450, Z = 14° R = 0.0367(T = 100 K);空间群 P $$\overline{1}$$ 1¯ , a = 8.77980(10), b = 10.75560(10), c = 13.0038(2) Å, α = 71.5090(10), β = 82.8020(10) , γ = 67.2400(10)°, Z = 2; R = 0.0245 (T = 300 K)。该研究揭示了相变中结构变化的特征。差示扫描量热法确定相变的温度 (T tr = 283 K)。采用分子Voronoi-Dirichlet多面体方法分析[La(Gly) 3 ·2H 2 O](ClO 4 ) 3 的多态性。图形摘要 [La(Gly)3·2H2O](ClO4)3 的晶体结构通过X 射线衍射分析(T=100K 和300K)确定,研究揭示了相变结构变化的特征。[La(Gly) 3 ·2H 2 O](ClO 4 ) 3 相变时的结构变化。
更新日期:2021-01-02
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