Diffraction Structure — A highly crystalline anthracene-based MOF-74 series featuring electrical conductivity and luminescence

5 measurement groups · 12 results

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

ANMOF-74(Co) bulk powder · Powder

PXRD pattern calculated/refined against model structure; XRD with Ni-filtered Cu Kalpha radiation in Bragg-Brentano geometry per SI methods.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Rietveld unit cell ANMOF-74(Co)	R3 (146), a=b=46.11 A, c=5.92 A, alpha=beta=90 deg, gamma=120 deg	—	—	SI Table Exact Reported	S17 · Unit cell parameters and atomic coordinates
Rietveld Rwp ANMOF-74(Co)	Rwp = 4.18%	—	—	SI Table Exact Reported	S17 · Unit cell parameters and atomic coordinates

ANMOF-74(Mg) bulk powder · Powder

PXRD pattern calculated/refined against model structure; XRD with Ni-filtered Cu Kalpha radiation in Bragg-Brentano geometry per SI methods.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Rietveld unit cell ANMOF-74(Mg)	R3 (146), a=b=46.36 A, c=6.05 A, alpha=beta=90 deg, gamma=120 deg	—	—	SI Table Exact Reported	S15 · Unit cell parameters and atomic coordinates
Rietveld Rwp ANMOF-74(Mg)	Rwp = 6.96%	—	—	SI Table Exact Reported	S15 · Unit cell parameters and atomic coordinates

ANMOF-74(Mn) bulk powder · Powder

PXRD pattern calculated/refined against model structure; XRD with Ni-filtered Cu Kalpha radiation in Bragg-Brentano geometry per SI methods.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Rietveld unit cell ANMOF-74(Mn)	R3 (146), a=b=46.21 A, c=5.69 A, alpha=beta=90 deg, gamma=120 deg	—	—	SI Table Exact Reported	S18 · Unit cell parameters and atomic coordinates
Rietveld Rwp ANMOF-74(Mn)	Rwp = 4.38%	—	—	SI Table Exact Reported	S18 · Unit cell parameters and atomic coordinates

ANMOF-74(Ni) bulk powder · Powder

PXRD pattern calculated/refined against model structure; XRD with Ni-filtered Cu Kalpha radiation in Bragg-Brentano geometry per SI methods.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Rietveld unit cell ANMOF-74(Ni)	R3 (146), a=b=46.21 A, c=5.76 A, alpha=beta=90 deg, gamma=120 deg	—	—	SI Table Exact Reported	S16 · Unit cell parameters and atomic coordinates
Rietveld Rwp ANMOF-74(Ni)Marked as a best value within this paper	Rwp = 3.94%	—	—	SI Table Exact Reported	S16 · Unit cell parameters and atomic coordinates

ANMOF-74(Zn) bulk powder · Powder

PXRD pattern calculated/refined against model structure; XRD with Ni-filtered Cu Kalpha radiation in Bragg-Brentano geometry per SI methods.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Anthracene interlayer distance along c direction	5.7 A	—	—	Text Approximate	20950 · Results and discussion · Fig. 1B
Rietveld unit cell ANMOF-74(Zn)	R3 (146), a=b=46.06 A, c=5.78 A, alpha=beta=90 deg, gamma=120 deg	—	—	SI Table Exact Reported	S14 · Unit cell parameters and atomic coordinates
ANMOF-74 channel aperture	2 nm pore apertures	—	—	Text Qualitative	20950 · Results and discussion · Fig. 1; Fig. 2
Rietveld Rwp ANMOF-74(Zn)	Rwp = 6.74%	—	—	SI Table Exact Reported	S14 · Unit cell parameters and atomic coordinates