University of Pretoria
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Crystal Structures for organic-inorganic hybrid materials

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Crystal structures for organic-inorganic hybrid materials

dataset
posted on 2024-05-27, 13:49 authored by Shalene BothmaShalene Bothma, Melanie RademeyerMelanie Rademeyer, Charles Sheppard
The dataset is comprised of the crystallographic information files for all the single crystal structures. These single crystal structures were determined by single crystal X-ray diffraction, for which the data is summarised in a concise crystallographic information file. These files contain different fields, and consist of a section containing the raw single crystal X-ray diffraction data, the instruction file for the crystallographic refinement program and refinement details for each structure. The structure files provide information on the atomic arrangements of the numerous n-carboxyalkylammonium perhalidometallate (II) compounds discussed in the thesis, as well as the packing arrangements of the molecules and their hydrogen bonding interactions.

Funding

National Research Foundation (NRF), Grant Number: CSUR13090533011

National Research Foundation (NRF), Grant Number: SRUG210427597644

SASOL, Grant Number: 106452

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Chemistry

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