Diffraction Structure — Synthesis of ordered carbonaceous frameworks from organic crystals

3 measurement groups · 15 results

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

Ni2-CPDPy · Powder

Cu Kalpha1 radiation; direct-space method and Rietveld refinement.

Temperature: 298
Geometry: glass capillary powder diffraction
Context: pristine precursor
Measurement source: 3 · Supplementary Figure 2 caption · Supplementary Fig. 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni2-CPDPy unit cell a	13.040(10) A	—	(10)	Caption Exact Reported	3 · Supplementary Figure 2 caption · Supplementary Fig. 2
Ni2-CPDPy unit cell b	25.897(14) A	—	(14)	Caption Exact Reported	3 · Supplementary Figure 2 caption · Supplementary Fig. 2
Ni2-CPDPy beta angle	105.37(3) deg	—	(3)	Caption Exact Reported	3 · Supplementary Figure 2 caption · Supplementary Fig. 2
Ni2-CPDPy unit cell c	10.824(8) A	—	(8)	Caption Exact Reported	3 · Supplementary Figure 2 caption · Supplementary Fig. 2
Ni2-CPDPy Rwp	2.36%	—	—	Caption Exact Reported	3 · Supplementary Figure 2 caption · Supplementary Fig. 2

Ni2-CPDPy593(0) · Powder

Synchrotron PXRD; direct-space/Rietveld analysis.

Temperature: 298
Geometry: powder diffraction
Context: polymerised intermediate
Measurement source: 5 · Supplementary Figure 4 caption · Supplementary Fig. 4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni2-CPDPy593(0) unit cell b	29.117(5) A	—	(5)	Caption Exact Reported	5 · Supplementary Figure 4 caption · Supplementary Fig. 4
Ni2-CPDPy593(0) Rwp	2.53%	—	—	Caption Exact Reported	5 · Supplementary Figure 4 caption · Supplementary Fig. 4

Ni2-CPDPy873(1) · Powder

Structure regularity and d-spacings of carbonised OCFs.

Geometry: powder particles
Context: derived carbon framework
Measurement source: 4 · Crystallographic structural changes upon carbonization · Fig. 2g,k,m; Supplementary Fig. 8-10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni2-CPDPy873(1) major d-spacingMarked as a best value within this paper	14.8 A	—	—	Text Rounded Reported	4 · Crystallographic structural changes upon carbonization · Fig. 2g,m; Supplementary Fig. 8
Ni2-CPDPy973(1) retained d-spacing	14.7 A	—	—	Text Rounded Reported	4 · Crystallographic structural changes upon carbonization · Fig. 2g
Ni2-CPDPy593(0) (020) d-spacing	14.6 A	—	—	Text Rounded Reported	4 · Crystallographic structural changes upon carbonization · Fig. 2k
Ni2-CPDPy (020) d-spacing	12.9 A	—	—	Text Rounded Reported	4 · Crystallographic structural changes upon carbonization · Fig. 2f,g
Ni2-CPDPy873(1) non-(020) diffraction spacing	7.2 A	—	—	Caption Rounded Reported	13 · Supplementary Figure 10 caption · Supplementary Fig. 10
Ni2-CPDPy873(1) FFT secondary diffraction spacing	7.4 A	—	—	Caption Rounded Reported	12 · Supplementary Figure 9 caption · Supplementary Fig. 9c
Distance between two porphyrins after polymerisation	4.4 A	—	—	Text Rounded Reported	4 · Crystallographic structural changes upon carbonization · Fig. 2h
Distance between two porphyrins in Ni2-CPDPy	9.7 A	—	—	Text Rounded Reported	4 · Crystallographic structural changes upon carbonization · Fig. 2d-f