Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study

Author:

Ventruti Gennaro,Scordari Fernando,Bellatreccia Fabio,Della Ventura Giancarlo,Sodo Armida

Abstract

The crystal structure of calcium tartrate esahydrate, CaC4H4O6·6H2O, has been solved by the charge-flipping method from single-crystal X-ray diffraction data and refined toR= 0.021, based on 1700 unique observed diffractions. Salient crystallographic data are:a= 7.7390 (1),b= 12.8030 (2),c= 5.8290 (1) Å,Z= 2, and space groupP21212. During the refinement step it was possible to locate all H atoms by difference Fourier synthesis. The tartrate molecule has a (−)-gaucheconformation and is coordinated to two calcium ions to form infinite chains along theaaxis which alternate Ca polyhedra with tartrate molecules. The chains are interlinked by a three-dimensional network of hydrogen bonds from four water molecules surrounding the Ca ion, reinforced by hydrogen bonds from one interstitial water molecule. Micro-Raman and FT–IR spectroscopic data are provided.

Publisher

International Union of Crystallography (IUCr)

Subject

Materials Chemistry,Metals and Alloys,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

Cited by 5 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3