One example of useful disorder:: Structure of Pr(III) complex of 1,4,7,10-tetraazacyclododecane-10-methyl-1,4,7-tris(methylenephenylphosphinic) acid
One example of useful disorder:: Structure of Pr(III) complex of 1,4,7,10-tetraazacyclododecane-10-methyl-1,4,7-tris(methylenephenylphosphinic) acid
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DOI：
10.1016/j.molstruc.2006.04.041
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发表时间：
2007-01-29
影响因子：
3.8
通讯作者：
Vojtisek, Pavel
中科院分区：
文献类型：
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作者：
Klimentova, Jana;Vojtisek, Pavel
[PrL（H2O）n]（2）的结构研究. xH（2）O得到了一个有趣的结论。在这种情况下，疾病的成功建模给了我们一个“冷冻溶液”的图片与异构物种的样品存在。三.鉴定了四种化学和晶体学上不同的复合物并进行了结构表征：[Pr{L（R，S）}]（2）配位数为（CN）8，[Pr{L（R，R）}（H2O）]（2）配位数为CN 9，还有两种[Pr{L（R，S）}（H2O）]（2）配位数也为CN 9，但几何参数略有不同（符号L（R，R）和L（R，S）分别表示所得络合物中标记为P2的配体的磷原子上的不同手性）。因此，标题化合物应被认为是0.67 [Pr{L（R，R）}（H2O）]（2）（.）0.33[Pr{L（R，S）}（H2O）]（2）（.）0.67[Pr{L（R，S）}]（2）（.）0.33[Pr{L（R，S）}（H2O）]（2）（.）27.5水在我们看来，这篇论文说明了无序不仅可以代表结构求解和细化的麻烦，它也可以带来有用的化学信息。(c)2006 Elsevier B. V.保留所有权利。
The structure investigation of [PrL(H2O)n](2). xH(2)O has resulted in an interesting conclusion. The successful modelling of disorders in this case gave us a picture of "frozen solution" with samples of isomeric species present. Three. chemically and four crystallographically different complexes were identified and structurally characterised: [Pr{L(R,S)}](2) with coordination number (CN) 8, [Pr{L(R,R)} (H2O)](2) with CN 9 and two species [Pr{L(R,S)}(H2O)](2) also with CN 9, but with a little different geometrical parameters (the symbols L(R,R) and L(R,S) mean the different chirality on phosphorus atom of the ligand labelled P2 in the resulting complex, respectively). Therefore, the title compound should be considered as 0.67 [Pr{L(R,R)}(H2O)](2)(.)0.33 [Pr{L(R,S)}(H2O)](2)(.)0.67 [Pr{L(R,S)}](2)(.)0.33 [Pr{L(R,S)} (H2O)](2) (.) 27.5 H2O. In our opinion, this paper illustrates that disorder can represent not only a nuisance in structure solving and refinement; it may bring useful chemical information as well. (c) 2006 Elsevier B.V. All rights reserved.