Diffraction Structure — Bromo- and iodo-bridged building units in metal-organic frameworks for enhanced carrier transport and CO2 photoreduction by water vapor

4 measurement groups · 13 results

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

As-synthesised TMOF-10-NH2(I) · Single Crystal

PXRD patterns recorded from 5-40 degrees 2theta and compared with simulations from single-crystal data.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD phase purity	experimental PXRD matched simulated patterns from single-crystal data for both TMOF-10-NH2(I) and TMOF-10-NH2(Br)	—	—	Text Qualitative	3 · Stability and CO2 Sorption of TMOF-10-NH2 · Fig. 2a

[Pb(NH2-bdc)]n control · Single Crystal

Mo Kalpha radiation at 296(2) K.

Temperature: 296(2)
Atmosphere: ambient
Geometry: single crystal
Context: pristine halide-free control
Measurement source: S3 · Supplementary Tables and Figures · Supplementary Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
space group	P21/c	—	—	SI Table Exact Reported	S3 · Supplementary Table 2 · Supplementary Table 2
unit-cell volume	5510.4(19) Å3	—	(19)	SI Table Exact Reported	S3 · Supplementary Table 2 · Supplementary Table 2

As-synthesised TMOF-10-NH2(Br) · Single Crystal

Mo Kalpha radiation, ambient temperature, Bruker SMART APEX II CCD; structure refined by SHELXTL/APEX3 and DIAMOND.

Temperature: 296(2)
Atmosphere: ambient
Geometry: single crystal on glass fibre
Context: pristine guest-loaded framework
Measurement source: S2 · Supplementary Tables and Figures · Supplementary Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a axis	a = 8.0112(5) Å	—	(5)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
unit-cell b axis	b = 20.3569(11) Å	—	(11)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
unit-cell c axis	c = 27.7087(16) Å	—	(16)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
space group	P21/c	—	—	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
unit-cell volume	4497.3(5) Å3	—	(5)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1

As-synthesised TMOF-10-NH2(I) · Single Crystal

Mo Kalpha radiation, ambient temperature, Bruker SMART APEX II CCD; structure refined by SHELXTL/APEX3 and DIAMOND.

Temperature: 296(2)
Atmosphere: ambient
Geometry: single crystal on glass fibre
Context: pristine guest-loaded framework
Measurement source: S2 · Supplementary Tables and Figures · Supplementary Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a axis	a = 8.0582(10) Å	—	(10)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
unit-cell b axis	b = 20.334(3) Å	—	(3)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
unit-cell c axis	c = 28.703(4) Å	—	(4)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
space group	P21/c	—	—	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1
unit-cell volume	4685.3(11) Å3	—	(11)	SI Table Exact Reported	S2 · Supplementary Table 1 · Supplementary Table 1