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若干镧系络合物的空间群

         

摘要

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 (P1to-P), Er(ClO4)3· 6(CH3)2NC(O)N(CH3)2(P-1toR-3), Nd(O3SCF3)3·3DMF·6H2O (P-1to R3m),[Na·NCCH3][Nd{S2CN(CH2CH3)2}4] (P-1toC 2/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.%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P-1;(2)Er(ClO4)3·6(CH3)2NC(O)N(CH3)2从P-1修正为R-3;(3)Nd(O3SCF3)3·DMF·6H2O从P1修正为R3m;(4)[NaNCCH3][Nd{S2CN(CH2CH3)2}4]从P-1修正为C2/c;(5)[(CH3)2NCS2]3La·2DMSO从Cc修正为C2/c;(6)Yb(C9H7)2·2THF从Cc修正为C2/c;(7)[(C6H5)3Ge]2Yb·4THF从P21修正为P21//n;(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.

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