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Figure 2
Reconstructions of stoichiometrically correct molecular ensemble from the COD 2231955 entry. (a) Molecular cluster reconstructed using the stoichiometry-preserving algorithm. (b) The structural formula automatically generated from the reconstructed molecular file. Chemical bond and charge comprehension was performed using the JUMBO converters suite (Murray-Rust, 1997BB18), and then the SVG file was automatically generated using the Open Babel package (O'Boyle, Guha et al., 2011BB19).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 48| Part 1| February 2015| Pages 85-91
https://doi.org/10.1107/S1600576714025904
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