Diffraction Structure — Semiconductive Coordination Polymer with Multi-Channel Charge Transfer for High-Performance Direct X-ray Detection

3 measurement groups · 10 results

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

1_moisture · Powder

Ambient RH 50%-70% over three months for device; 85%-100% RH in dark for 24 h for PXRD sample.

Atmosphere: humid air
Geometry: pellet detector for dark-current comparison; powder/crystalline sample for PXRD
Context: pristine compound 1 after humidity/ambient exposure
Measurement source: 7 · Results and Discussion · Figure 4e; Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ambient air stability duration	over three months at 50%-70% relative humidity	—	>	Text Range	7 · Results and Discussion · Figure 4e
PXRD stability after high humidity exposure	No alteration in PXRD after 24 h at 85%-100% RH in darkness	—	—	Text Qualitative	7 · Results and Discussion · Figure S1

as-synthesised orange plate single crystals of 1 · Single Crystal

45 kV and 30 mA; simulated, pristine, and moisture-exposed patterns compared.

Context: pristine and moisture-exposed compound 1
Measurement source: S3, S8 · 1.2 Measurements; Supplementary Figures · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
phase purity by PXRD	as-synthesised samples confirmed phase-pure by elemental analysis and PXRD	—	—	Text Qualitative	2 · Results and Discussion · Figure S1

as-synthesised orange plate single crystals of 1 · Single Crystal

Measurement at 298.93 K; omega scans; H atoms generated geometrically; all atoms refined anisotropically.

Temperature: 298.93
Context: pristine compound 1 single crystal
Measurement source: S4 · 1.3 Single-crystal X-ray crystallographic study · Table S1-S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
calculated crystallographic density	1.857 g/cm3	—	—	SI Table Exact Reported	S16 · Supplementary Tables · Table S1
crystallographic formula	C26H19CoI2N5O5S2	—	—	SI Table Exact Reported	S16 · Supplementary Tables · Table S1
space group	P-1	—	—	SI Table Exact Reported	S16 · Supplementary Tables · Table S1
unit-cell a parameter	9.3181(2) Å	—	(2)	SI Table Exact Reported	S16 · Supplementary Tables · Table S1
unit-cell b parameter	9.7358(1) Å	—	(1)	SI Table Exact Reported	S16 · Supplementary Tables · Table S1
unit-cell c parameter	15.6595(2) Å	—	(2)	SI Table Exact Reported	S16 · Supplementary Tables · Table S1
unit-cell volume	1379.57(4) Å3	—	(4)	SI Table Exact Reported	S16 · Supplementary Tables · Table S1