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Figure 5
Snapshots of model building and refinement of XUBNIR. (a) Initial structure solution from SHELXD. (b) After isotropic refinement, three missing atoms are clearly visible as difference-map peaks, and the relative size of displacement spheres allow most carbon and nitro­gen atoms to be distinguished. (c) After anisotropic refinement, all hydrogen atoms are clearly present in a difference map. (d) After inclusion of hydrogen atoms. Diagrams were generated using ShelXle (Hübschle et al., 2011BB23).

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 77| Part 5| May 2021| Pages 452-465
https://doi.org/10.1107/S205698902100342X
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