cMOF Evidence Base
Diffraction Structure — A Low-Symmetry Copper Benzenehexathiol Coordination Polymer with In-Plane Electrical Anisotropy

Measurement evidence

Diffraction Structure

A Low-Symmetry Copper Benzenehexathiol Coordination Polymer with In-Plane Electrical Anisotropy · Wang Z., Un H.-I., Liu T.-J. et al. · Angewandte Chemie - International Edition · 2025 · e202423341

2 measurement groups · 15 results

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

SAED, AC-HRTEM, FFT, image simulation and GIWAXS

X-ray diffraction and scatteringTransmission electron microscopy

Cu5BHT GIWAXS film on silicon · Thin Film

AC-HRTEM at 80 kV with low dose; GIWAXS at BL11 NCD-SWEET, ALBA, 12.4 keV beam, 0.12 deg incidence, 180 s exposure.

Geometry
100 nm Cu5BHT film on Si for GIWAXS
Context
pristine Cu5BHT
Measurement source
p002 / SI page 2 · GIWAXS measurement; HRTEM imaging and image simulation · Figure 2; Figures S3, S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
GIWAXS interlayer stacking arc1.82 A^-1——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2f
GIWAXS in-plane Qxy peak (200)0.86 A^-1——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g
GIWAXS in-plane Qxy peak (310)1.49 A^-1——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g
GIWAXS in-plane Qxy peak (400)1.72 A^-1——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g
GIWAXS in-plane Qxy peak (600)2.56 A^-1——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g
AC-HRTEM spatial resolution0.77 A——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2c
interlayer stacking distance~3.45 A——Text
Approximate		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2f
SAED/AC-HRTEM lattice d spacing7.4 A0.74 nm—Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figures 2b, 2c, S3
SAED first-order diffraction1.35 nm^-1——Text
Rounded Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2b
experimental space group assignmentMarked as a best value within this paperorthorhombic P2gg——Text
Qualitative		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals
experimental unit-cell a parameterMarked as a best value within this papera = 14.69 A——Text
Exact Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g,h
experimental unit-cell b parameterMarked as a best value within this paperb = 8.48 A——Text
Exact Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g,h
experimental unit-cell c parameterMarked as a best value within this paperc = 3.45 A——Text
Exact Reported		p004 / article page 4 of 7 · Structural Characterizations of Cu5BHT Crystals · Figure 2g,h

TEM and SAED after chemical and thermal treatments

Transmission electron microscopy

Cu5BHT crystals after solvent exposure and annealing · Single Crystal

Crystals immersed sequentially in DMF, THF and chloroform for 12 h; separate sample annealed under N2 at 300 deg C for 12 h.

Temperature
573 for annealing treatment
Atmosphere
nitrogen for annealing
Geometry
TEM grid
Context
treated pristine Cu5BHT crystals
Measurement source
p017 / SI page 16 · Results and Discussion · Figure S13
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
crystallinity after annealingcrystallinity remained intact after annealing under nitrogen at 300 deg C for 12 h573.15 K12 h annealing timeCaption
Qualitative		p017 / SI page 16 · Results and Discussion · Figure S13b
crystallinity after organic solvent exposureretained structural integrity and crystallinity after DMF, THF and chloroform exposure for 12 h——Caption
Qualitative		p017 / SI page 16 · Results and Discussion · Figure S13a