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水合 -（1,4,7,10 - 四氮杂环十二烷）锌（II）双（高氯酸盐）

Aqua-(1,4,7,10-tetra-aza-cyclo-dodeca-ne)zinc(II) bis-(perchlorate).

作者信息

Ichimaru Yoshimi, Kato Koichi, Kurosaki Hiromasa, Fujioka Haruto, Sakai Misa, Yamaguchi Yoshihiro, Wanchun Jin, Sugiura Kirara, Imai Masanori, Koike Tohru

机构信息

College of Pharmacy, Kinjo Gakuin University, 2-1723 Omori, Moriyamaku, Nagoya, Aichi, 4638521, Japan.

Laboratory of Organic Medicinal Chemistry, Faculty of Pharmacy & Pharmaceutical Sciences, Fukuyama University, Fukuyama 729-0292, Japan.

出版信息

IUCrdata. 2021 Apr 20;6(Pt 4):x210397. doi: 10.1107/S2414314621003977. eCollection 2021 Apr.

DOI:10.1107/S2414314621003977
PMID:36339098
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462334/
Abstract

The cationic Zn part of aqua-(1,4,7,10-tetra-aza-cyclo-dodeca-ne)zinc(II) bis-(perchlorate), Zn(CHN)(HO), exhibits a slightly distorted square-pyramidal coordination environment with a water mol-ecule in the apical position. In the crystal, the macrocyclic ring alternates between two conformations with equal occupancies. Two of the three perchlorate anions are situated about a twofold rotation axis, and one of them shows disorder of the O atoms with occupancies of 0.62 (7) and 0.38 (7). In the crystal, the complexes are connected by inter-molecular hydrogen bonding the perchlorate anions.

摘要

水合-(1,4,7,10-四氮杂环十二烷)锌(II)双(高氯酸盐)，Zn(CHN)(HO)中的阳离子锌部分呈现出略微扭曲的四方锥配位环境，顶端位置有一个水分子。在晶体中，大环以两种占有率相等的构象交替出现。三个高氯酸根阴离子中的两个位于一个二重旋转轴周围，其中一个显示出O原子的无序，占有率为0.62 (7)和0.38 (7)。在晶体中，配合物通过与高氯酸根阴离子的分子间氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f10/9462334/1ae07c83929f/x-06-x210397-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f10/9462334/1650a678dbb6/x-06-x210397-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f10/9462334/1ae07c83929f/x-06-x210397-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f10/9462334/1650a678dbb6/x-06-x210397-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f10/9462334/1ae07c83929f/x-06-x210397-fig2.jpg

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