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1 papers
He Y., Cubuk E.D., Allendorf M.D. et al. · Journal of Physical Chemistry Letters · 2018
Reported here: Hg[SCN]4Co[NCS]4
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Raw names, formulas and structural assignments remain separate; no consensus value is inferred.
| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Hg[SCN]4Co[NCS]42018 · Metallic Metal-Organic Frameworks Predicted by the Combination of Machine Learning Methods and Ab Initio Calculations | Co4 Hg4 C16 S16 N16Hg and Co thiocyanate/isothiocyanate coordination framework · SCN/NCS thiocyanate ligands | unknown · Model SystemDFT-optimised simple orthorhombic Co-Hg thiocyanate framework model from CoRE-MOF | 4 · Results and discussion · Table 2 |