A million crystal structures: The whole is greater than the sum of its parts

R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

Reactive p-block cations stabilized by weakly coordinating anions

TA Engesser, MR Lichtenthaler, M Schleep… - Chemical Society …, 2016 - pubs.rsc.org
The chemistry of the p-block elements is a huge playground for fundamental and applied
work. With their bonding from electron deficient to hypercoordinate and formally hypervalent …

Efficient synthesis of imine-carboxylic acid functionalized compounds: Single crystal, Hirshfeld surface and quantum chemical exploration

MN Tahir, A Ali, M Khalid, M Ashfaq, M Naveed… - Molecules, 2023 - mdpi.com
Two aminobenzoic acid based crystalline imines (HMBA and DHBA) were synthesized
through a condensation reaction of 4-aminobenzoic acid and substituted benzaldehydes …

Ring‐Size Control and Guest‐Induced Circularly Polarized Luminescence in Heteroleptic Pd3A3B3 and Pd4A4B4 Assemblies

KE Ebbert, E Benchimol, A Platzek… - Angewandte Chemie …, 2024 - Wiley Online Library
Two new structural motifs within the class of heteroleptic PdnAnBn assemblies, namely syn‐
cis‐Pd3A3B3 bowls and bowl‐(syn) or saddle‐(anti) shaped cis‐Pd4A4B4 rings are …

Polymorphs of Substituted p-Toluenesulfonanilide: Synthesis, Single-Crystal Analysis, Hirshfeld Surface Exploration, and Theoretical Investigation

M Riaz, A Ali, M Ashfaq, M Ibrahim, N Akram… - ACS …, 2023 - ACS Publications
Polymorphism is an exciting feature of chemical systems where a compound can exist in
different crystal forms. The present investigation is focused on the two polymorphic forms …

Synthesis of crystalline fluoro-functionalized imines, single crystal investigation, Hirshfeld surface analysis, and theoretical exploration

M Ashfaq, M Khalid, MN Tahir, A Ali, MN Arshad… - ACS …, 2022 - ACS Publications
This investigation is focused on the synthesis of two halo-functionalized crystalline Schiff
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …

Recent improvements in DSR

D Kratzert, I Krossing - Journal of Applied Crystallography, 2018 - journals.iucr.org
The DSR computer program has received many minor and major updates over the past two
years. This publication describes some new features, such as disorder modelling on special …

Insights into Excimer Formation Factors from Detailed Structural and Photophysical Studies in the Solid‐State

T Schillmöller, R Herbst‐Irmer… - Advanced Optical …, 2021 - Wiley Online Library
Solid‐state luminescent materials are essential for the development of optoelectronic
devices like lasers, sensors, and organic light‐emitting diodes. Organic molecules reveal …

Atomic-resolved hierarchical structure of elastic π-conjugated molecular crystal for flexible organic photonics

C Wei, L Bai, X An, M Xu, W Liu, W Zhang, M Singh… - Chem, 2022 - cell.com
Achieving multifunctional elastic conjugated molecular crystals is a huge challenge for
flexible optoelectronic application due to the difficulty in precise control of non-covalent …

Synthesis and Characterization of a Stable Nickelocenium Dication Salt

JM Rall, M Lapersonne, M Schorpp… - Angewandte Chemie …, 2023 - Wiley Online Library
We report the synthesis and characterization of the nickelocenium cations [NiCp2]⋅+ and
[NiCp2] 2+ as their [F‐{Al (ORF) 3} 2]−(Cp= C5H5; RF= C (CF3) 3) salts. Diamagnetic …