Diffraction Structure — A 2D copper-imidazolate framework without thermal treatment as an efficient ORR electrocatalyst for Zn-air batteries

Measurement evidence

Diffraction Structure

A 2D copper-imidazolate framework without thermal treatment as an efficient ORR electrocatalyst for Zn-air batteries · Franco A., Salatti-Dorado J.I., Garcia-Caballero V. et al. · Journal of Materials Chemistry A · 2022 · 24590-24597

1 measurement group · 12 results

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

Powder X-ray diffraction with Rietveld refinement; Bruker D8-Advance Cu Kalpha; Materials Studio Powder Refinement with UFF energy fit

X-ray diffraction and scattering

as-synthesised 2DCIF nanosheet powder · Nanosheet

Powder PXRD measured 5-70 degrees 2theta; refinement over 10-45 degrees 2theta

Geometry: powder sample
Context: pristine 2DCIF framework
Measurement source: 18 · IV. Crystal structure determination by Rietveld refinement · Fig. S20; Tables S6-S10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit cell a	5.434(8)	—	(8)	SI Table Exact Reported	18 · IV. Crystal structure determination · Table S6
unit cell b	5.969(9)	—	(9)	SI Table Exact Reported	18 · IV. Crystal structure determination · Table S6
unit cell beta	107.156(9)	—	(9)	SI Table Exact Reported	18 · IV. Crystal structure determination · Table S6
unit cell c	14.25(2)	—	(2)	SI Table Exact Reported	18 · IV. Crystal structure determination · Table S6
Cu coordination environment	five-coordinate square pyramidal Cu-N4O; each Cu coordinated by four ICA ligands	—	—	Text Exact Reported	24592 · Results and discussion · Fig. 2A
Cu-N(1) bond distance	Cu-N(1) = 2.074 Å	—	—	Caption Exact Reported	21 · Fig. S21 caption · Fig. S21
Cu-O bond distance	Cu-O = 2.161 Å	—	—	Caption Exact Reported	21 · Fig. S21 caption · Fig. S21
empirical formula	CuC8H6N4O2	—	—	SI Table Exact Reported	18 · IV. Crystal structure determination · Table S6
crystal pore-space diameter from porosity map	4.6 Å	—	—	Caption Rounded Reported	23 · Fig. S24 caption · Fig. S24
Rietveld Rp	Rp = 10.17%	—	—	Caption Exact Reported	24593 · Fig. 2 caption · Fig. 2B
Rietveld Rwp	Rwp = 5.33%	—	—	Caption Exact Reported	24593 · Fig. 2 caption · Fig. 2B
space group	P1c1, monoclinic, No. 7	—	—	SI Table Exact Reported	18 · IV. Crystal structure determination · Table S6