Computational Modelling — Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport properties

Measurement evidence

Computational Modelling

Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport properties · Islam S., Pal B., Khan S. et al. · CrystEngComm · 2020 · 6720-6726

1 measurement group · 4 results

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

Hirshfeld surface and 2D fingerprint plots with Crystal Explorer

compound 1 violet block crystals · Single Crystal

Hirshfeld surfaces mapped over dnorm, shape index, curvedness and fragments for compounds 1 and 2

Context: pristine framework crystals
Measurement source: 6721-6723 · Hirshfeld surface; Hirshfeld surface analysis · Fig. 4; Fig. S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cl...C/C...Cl interaction contribution in compound 1	4%	—	—	Text Rounded Reported	6723 · Hirshfeld surface analysis · Fig. 4
Cl...H/H...Cl interaction contribution in compound 1	16.3%	—	—	Text Rounded Reported	6723 · Hirshfeld surface analysis · Fig. 4
Br...C/C...Br interaction contribution in compound 2	7.1%	—	—	Text Rounded Reported	6723 · Hirshfeld surface analysis · Fig. 4
Br...H/H...Br interaction contribution in compound 2	18.7%	—	—	Text Rounded Reported	6723 · Hirshfeld surface analysis · Fig. 4