Diffraction Structure — Electron-Conductive Metal-Organic Framework, Fe(dhbq)(dhbq = 2,5-Dihydroxy-1,4-benzoquinone): Coexistence of Microporosity and Solid-State Redox Activity

Measurement evidence

Diffraction Structure

Electron-Conductive Metal-Organic Framework, Fe(dhbq)(dhbq = 2,5-Dihydroxy-1,4-benzoquinone): Coexistence of Microporosity and Solid-State Redox Activity · Kon K., Uchida K., Fuku K. et al. · ACS Applied Materials and Interfaces · 2021 · 38188-38193

2 measurement groups · 4 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

powder X-ray diffraction

X-ray diffraction and scattering

Anhydrous Fe(dhbq) powder · Powder

Air theta-2theta scan with Cu Kalpha radiation; compared hydrated, anhydrous and simulated patterns

Measurement source: 7 · PXRD patterns · Figure S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
anhydrous PXRD peak broadening	PXRD peaks of Fe(dhbq) were significantly broadened	—	—	Text Qualitative	2 · Results and Discussion · Figure S4

single-crystal X-ray diffraction

X-ray diffraction and scattering

Fe(dhbq)(H2O)2 single crystals · Single Crystal

Mo Kalpha radiation; HyPix-6000 detector; structure solved for hydrated single crystal

Measurement source: 2 · Results and Discussion · Figure 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
axial Fe-O bond length	2.1139(16) A	—	(16)	Text Exact Reported	2 · Results and Discussion · Figure 2
equatorial Fe-O bond length	2.102(3) A	—	(3)	Text Exact Reported	2 · Results and Discussion · Figure 2
space group	monoclinic C2/m	—	—	Text Qualitative	2 · Results and Discussion · Figure 2