Ice Ih Shaped Water Cluster in the Cage of an Ultramicroporous Metal-Organic Framework

IF 0.6 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2025-04-23 DOI:10.1007/s10870-025-01048-3

Massimo Guelfi, Marco Taddei, Giulio Bresciani

引用次数: 0

Abstract

Reaction of 1,4-bis(1H-imidazol-1-yl)benzene ligand (bib) and CuSiF₆ in water/ dimethylsulfoxide (DMSO) as the solvent mixture affords purple crystals of a metal-organic framework, 1, suitable for single crystal X-ray diffraction (SCXRD) analysis. 1 crystallizes in the triclinic P − 1 space group: a = 12.694(2) Å, b = 13.455(2) Å, c = 13.740(3) Å, α = 88.919(7)°, β = 67.864(7)°, γ = 65.029(6)°, V = 1942.9(6) Å³. 1 was found to be a new phase of SIFSIX-23-Cu. Moreover, in the structure pores a cluster formed by two molecules of DMSO and ten molecules of water was identified possessing a double ice Ih-like shape.

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超微孔金属-有机骨架笼中的冰形水团簇

1,4-双（1h -咪唑-1-酰基）苯配体（bib）和CuSiF6在水/二甲基亚砜（DMSO）中作为溶剂混合物反应得到金属-有机框架的紫色晶体，1，适合单晶x射线衍射（SCXRD）分析。1在三斜晶系的结晶P−1空间群:a = 12.694 (2), b = 13.455 (2) a, c = 13.740(3),α= 88.919(7)°,β= 67.864(7)°,γ= 65.029(6)°,V = 1942.9 (6) A3。发现1是sif6 -23- cu的新相。此外，在结构孔隙中，鉴定出由两个DMSO分子和十个水分子形成的簇具有双冰i -like形状。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.