Spectroscopy — Integration of a (–Cu–S–) n plane in a metal–organic framework affords high electrical conductivity

4 measurement groups · 10 results

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

As-synthesised brown rod-shaped crystals of compound 1 · Single Crystal

Perkin-Elmer Lambda 750 UV-vis; finely powdered MOF sample; BaSO4 reference; indirect bandgap from ([F(R) x hv])^0.5 vs hv extrapolation.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Diffuse reflectance broad peak	about 473 nm	—	about	Text Approximate	4 · Bandgap investigations · Supplementary Fig. 18
Diffuse reflectance small peak	868 nm	—	—	Text Rounded Reported	4 · Bandgap investigations · Supplementary Fig. 18
Indirect optical bandgap	1.34 eV	—	—	Text Rounded Reported	4 · Bandgap investigations · Supplementary Fig. 18

As-synthesised brown rod-shaped crystals of compound 1 · Single Crystal

Perkin-Elmer Model Paragon 1000 FT-IR; 4000-400 cm^-1; KBr.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
FTIR uncoordinated carboxylic C=O stretch	1697 cm^-1	—	—	Text Exact Reported	2 · Synthesis · Supplementary Fig. 3
FTIR Cu-S bending peak	525 cm^-1	—	—	Text Exact Reported	2 · Synthesis · Supplementary Fig. 3

As-synthesised brown rod-shaped crystals of compound 1 · Single Crystal

Perkin-Elmer TGA-7 TG analyser; nitrogen atmosphere; sample stored in desiccator with activated molecular sieves before TGA.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Thermal stability limit	stable up to 340 C	613.15 K	—	Caption Rounded Reported	S-7 · Supplementary Figures · Supplementary Fig. 5

As-synthesised brown rod-shaped crystals of compound 1 · Single Crystal

PHI 5000 Versa Probe with Al Kalpha X-ray source, 1486.6 eV; room temperature.

Context: pristine
Measurement source: 3, 6 · Crystal structure; XPS measurements · Supplementary Figs. 9-11

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XPS Cu 2p1/2 binding energy	951.3 eV	—	—	Text Exact Reported	3 · Crystal structure · Supplementary Figs. 9 and 11
XPS Cu 2p3/2 binding energy	931.5 eV	—	—	Text Exact Reported	3 · Crystal structure · Supplementary Figs. 9 and 11
XPS N1s binding energy	398.4 eV	—	—	Text Exact Reported	3 · Crystal structure · Supplementary Figs. 10 and 11
XPS NH4+ binding energy	401.1 eV	—	—	Text Exact Reported	3 · Crystal structure · Supplementary Figs. 10 and 11