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. 2018 Aug 6;9:3080. doi: 10.1038/s41467-018-05503-y

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — In situ variable temperature PXRD patterns reveal the following about X-pcu-1-Zn-3i-α. a Conversion to X-pcu-1-Zn-4i through X-pcu-1-Zn-3i-β. b Transformation into X-pcu-1-Zn-3i-γ under dynamic vacuum for 3 days and then to X-pcu-1-Zn-4i upon heating at 130 °C. c Formation of X-pcu-1-Zn-3i-δ when exposed to air for one day and upon heating. d Conversion to X-pcu-2-Zn-3i after solvent exchange with MeCN followed by heating at 70 °C. In addition, X-pcu-1-Zn-3i-α partially loses solvent at room temperature and forms a phase, X-pcu-1-Zn-3i-α’, with similar cell parameters as confirmed by SCXRD (SI). The experimental PXRD patterns of X-pcu-1-Zn-3i-α are therefore different in terms of intensity from the calculated PXRD patterns