物理化学学报 >> 2000, Vol. 16 >> Issue (10): 879 -885 .doi: 10.3866/PKU.WHXB20001004

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若干镧系络合物的空间群

Ng Seikweng, 胡盛志   

  1. 马来亚大学研究生院，50603 Kuala Lumpur|马来西亚;厦门大学化学系，厦门 361005
  • 收稿日期:1999-12-02 修回日期:2000-03-27 发布日期:2000-10-15
  • 通讯作者: 胡盛志 E-mail:szhu@xmu.edu.cn

The Spce Groups of Some Lanthanum Complexes

Ng Seikweng, Hu Sheng-Zhi   

  1. Institute of Postgraduate Studies Research,University of Malaya, 50603 Kuala Lumpur,Malaysia|Department of Chemistry,Xiamen Unicersity,Xiamen 361005
  • Received:1999-12-02 Revised:2000-03-27 Published:2000-10-15
  • Contact: Hu Sheng-Zhi E-mail:szhu@xmu.edu.cn

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摘要：

藉助模拟强度精修将九个镧系络合物晶体结构的空间群作了修正 .（ 1） NaN[Nd(DMSO)5(H2O)3]Cl3• 3H2O从 P1修正为 P1；（ 2） Er(ClO4)3• 6(CH3)2NC(O)N(CH3)2从 P修正为 R3；（ 3） Nd(O3SCF3)3• DMF• 6H2O从 P1修正为 R3m; (4) [NaNCCH3][Nd{S2CN(CH2CH3)2}4]从 P1修正为 C 2/c; (5)[(CH3)2NCS2]3La• 2DMSO从 Cc修正为 C 2/c;（ 6） Yb(C9H7)2• 2THF从 Cc修正为 C 2/c；（ 7） [(C6H5)3Ge]2Yb• 4THF从 P21修正为 P 2; (8) TlPr(C36H44N4)2从 Pna2,修正为 Pnma; (9)[CuLaSm(C4O4)4(H2O)16]• 2H2O从 P2修正为 P2.（ 8）、（ 9）两个络合物结构从非心修正到有心时，不仅改进了键长与键角值，而且影响到分子结构特征的描述 .

关键词: 空间群修正, 模拟结构因子, 镧系络合物

Abstract:

The space groups of nine lanthanum structures have been revised by solving the structures from the structure factors that are calculated from the lower-symmetry structures: [Nd(DMSO)5(H2O)3]Cl3• 3H2O (P1 to P1), Er(ClO4)3• 6(CH3)2NC(O)N(CH3)2 (P1 to R3), Nd(O3SCF3)3• 3DMF• 6H2O (P1 to R3m) ,[Na•NCCH3][Nd{S2CN(CH2CH3)2}4] (P1 to C2/c), [(CH3)2NCS2]3La•2DMSO (Cc to C2/c), Yb(C9H7)2•2THF (Cc to C 2/c), [(C6H5)3Ge]2Yb•4THF (P21 to P21/n), [CuLaSm(C4O4)4(H2O)16]•2H2O (P21 to P21/c) and TlPr (C36H44N4)2 (Pna21 to Pnma). For the last two examples, the description of the structures is affected owing to the change from non-centrosymmetric to centrosymmetric.

Key words: Space group revision, Simulated structure factors, Lanthanum complexes