Diffraction Structure — Layered coordination polymer with two-dimensional covalent bismuth-organic networks: Semiconductor and lithium ion storage

2 measurement groups · 14 results

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

as-made Bi-DSBDC-DMA yellow crystalline solid · Powder

Reflection mode at room temperature on Bruker D8 Advanced diffractometer using Cu-Kalpha radiation, 40 kV and 25 mA.

Temperature: room temperature
Atmosphere: air for characterisation; TGA under nitrogen reported separately
Context: pristine framework
Measurement source: rendered page 2 · Characterization · Figure 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
porosity data	no gas-sorption surface area or pore-volume measurement reported in the supplied main article or SI	—	—	Qualitative Qualitative	rendered pages 1-7 · Methods and supplementary figures
crystallinity after electrode preparation	electrode PXRD indicates Bi-DSBDC-DMA maintained crystallinity after ball-milling into aqueous slurry and vacuum drying at 120 C	—	—	Text Qualitative	rendered page 2 / article p.2182 · Results and discussion · Figure 2d
PXRD phase match	as-made PXRD pattern matched the calculated pattern, confirming the structure model and pure phase	—	—	Text Qualitative	rendered page 2 / article p.2182 · Results and discussion · Figure 2
crystallinity after vacuum drying at 120 C	crystallinity reduced, but sample remained crystalline with no obvious changes in diffraction peak positions	—	—	Text Qualitative	rendered page 2 / article p.2182 · Results and discussion · Figure 2c

single crystal of Bi-DSBDC-DMA · Single Crystal

Selected crystal on Bruker Smart 6000 CCD diffractometer; 100.0 K; structure solved with Olex2/ShelXT and refined with XL least-squares.

Temperature: 100.0
Context: pristine framework
Measurement source: rendered pages 2-3 · Characterization · Table S1; Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit cell a	a = 7.5216(17) A	—	(17)	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1
unit cell b	b = 9.663(2) A	—	(2)	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1
long Bi-O bond length	Bi1-O1b = 2.728(12) A	—	(12)	SI Table Exact Reported	rendered page 3 · Table S2 · Table S2
short Bi-O bond length	Bi1-O1 = 2.351(13) A	—	(13)	SI Table Exact Reported	rendered page 3 · Table S2 · Table S2
Bi-S bond length	Bi1-S1 = 2.577(5) A	—	(5)	SI Table Exact Reported	rendered page 3 · Table S2 · Table S2
unit cell c	c = 18.826(4) A	—	(4)	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1
calculated crystal density	rho_calc = 2.336 g cm-3	—	—	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1
R1 for observed reflections	R1 = 0.0626 for I > 2 sigma(I)	—	—	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1
space group	Pcca	—	—	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1
unit cell volume	V = 1368.3(5) A3	—	(5)	SI Table Exact Reported	rendered page 3 · Table S1 · Table S1