@article{DeySchoenleberSmaalenetal.2022,
  author    = {Dey, Somnath and Sch{\"o}nleber, Andreas and Smaalen, Sander van and Morgenroth, Wolfgang and Larsen, Finn Krebs},
  title     = {Incommensurate phase in Λ-cobalt (III) sepulchrate trinitrate governed by highly competitive N-H...O and C-H...O hydrogen bond networks},
  series = {Chemistry - a European journal},
  volume    = {28},
  journal   = {Chemistry - a European journal},
  number    = {13},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0947-6539},
  doi       = {10.1002/chem.202104151},
  pages     = {8},
  year      = {2022},
  abstract  = {Phase transitions in molecular crystals are often determined by intermolecular interactions. The cage complex of [Co(C12H30N8)](3+) . 3 NO3- is reported to undergo a disorder-order phase transition at T-c1 approximate to 133 K upon cooling. Temperature-dependent neutron and synchrotron diffraction experiments revealed satellite reflections in addition to main reflections in the diffraction patterns below T-c1. The modulation wave vector varies as function of temperature and locks in at T-c3 approximate to 98 K. Here, we demonstrate that the crystal symmetry lowers from hexagonal to monoclinic in the incommensurately modulated phases in T-c1<T<T-c3. Distinctive levels of competitions: trade-off between longer N-H...O and shorter C-H...O hydrogen bonds; steric constraints to dense C-H...O bonds give rise to pronounced modulation of the basic structure. Severely frustrated crystal packing in the incommensurate phase is precursor to optimal balance of intermolecular interactions in the lock-in phase.},
  language  = {en}
}