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#FeaturedStructureFriday

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Posts tagged #FeaturedStructureFriday

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From Zapf and Rivard in @chemicalscience.rsc.org, the bulkiest N-heterocyclic carbene to date.

With a buried volume over 60%, this NHC stabilised (quasi)-monocoordinate Li and Ga(i).

πŸ”— CSD Entry OWUBER (Ga(I) complex, anion not shown): dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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The isolation of five molecules featuring unsupported {N4}β€’βˆ’ radical anion units has been reported in Nature Chemistry (πŸ”Ž ccdc-info.com/3MSq1CZ).

CSD Entry EXODOO (cation not shown) is stable for weeks under anaerobic conditions.

πŸ”— ccdc-info.com/4aNEARl
#FeaturedStructureFriday #crystallographyhy

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The first isolation of neutral aluminium(i) trimers called cyclotrialumanes is reported by Bakewell et al. in @natcomms.nature.com.

CSD Entry OXATOA reveals a perfectly planar Al₃ ring, supported by a bulky amidinate framework.

πŸ”— dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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Reported in @science.org, lithium pentasilacyclopentadienyl complexes.

These silicon analogues of the cyclopentadienyl ligand have a non-planar 5-membered ring and further characterisation shows evidence of aromaticity.

πŸ”— CSD Entry EXOMUD: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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Over 70 years since the discovery of ferrocene, the first neutral bis(cyclopentadienyl)metal complex of copper has been synthesised by scientists at @uofcalifornia.bsky.social as reported in @jacs.acspublications.org.

πŸ”— CSD Entry UWULOR: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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A series of tetracopper disulfide clusters that mimic the mixed-valent sites found in enzymes like Nβ‚‚O reductase is reported by Tilley et al. @jacs.acspublications.org.

CSD Entry UXAVAU reveals a symmetrical arrangement of two bimetallic units.

πŸ”— ccdc-info.com/46mDZmY

#FeaturedStructureFriday

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Reported in @natchem.nature.com, the use of cubene and 1,7-quadricyclene in synthesis.

By exploiting hyperpyramidalized, strained bonds, the Garg group builds unique scaffolds like this one elucidated by MicroED electron diffraction.

CSD Entry EXEZEQ: ccdc-info.com/4c1Z1Lj
#FeaturedStructureFriday

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Expanded boraporphyrinoids with redox switchable magnetic (anti)aromaticity and strong near-infrared absorption have been reported in @jacs.acspublications.org.

Antiaromatic CSD Entry IWANUT becomes aromatic upon twofold reduction.

πŸ”— dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #ChemSky

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A new nonalternant buckybowl embeds an azulene unit into a curved Ο€-system with a rare 5/7 ring topology. Reported in Chemistry - a European Journal.

CSD Entry ISEWUC reveals a shallow, dynamic bowl with unique packing and strong fullerene affinity.
πŸ”— ccdc-info.com/4pI6aUs
#FeaturedStructureFriday

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Reported in @chemicalscience.rsc.org ultrastiff crystals of mucic acid.

Inspired by previous reports of high density, this work reveals a high Young’s modulus and hardness due to the extensive hydrogen bonding network.

πŸ”— CSD Entry BIVTUV02: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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Happy New Year! Did you celebrate with fireworks? Our first #FeaturedStructureFriday of the year is potassium hydrogen terephthalate, an additive used in fireworks to create a whistling effect.

www.ccdc.cam.ac.uk/services/str....

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Season’s Greetings from the CCDC! This week, we’re featuring the terpene alpha-pinene, one of the molecules responsible for the classic aroma of Christmas trees.

πŸ”— CSD Entry ACIFEX: dx.doi.org/10.5517/cc5x...

#FeaturedStructureFriday #ChemSky

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The synthesis of a semitubular molecule comprising two [8]circulene moieties has been reported in @jacs.acspublications.org.

CSD entry UTIJUG exhibits an excellent match to the substructure of Schwarzite P192.

πŸ”— dx.doi.org/10.5517/ccdc....

#FeaturedStructureFriday #CompChemSky

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A novel photocycloaddition enabled by a Ga(I)/Ga(III) redox cycle under visible light is reported in @jacs.acspublications.org.

CSD Entry XUXSOC demonstrates a seven-membered Ga-heterocycle where two isocyanide units are inserted into Ga–C bonds.

πŸ”— ccdc-info.com/44G1SVK

#FeaturedStructureFriday

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The synthesis and characterisation of plumbynes (@jacs.acspublications.org).

This structure features multiple bonds between C and Pb, with several different resonance forms contributing to the overall configuration.

πŸ”— CSD Entry OQOXIF: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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Isomerisation of [Ag(eta-5-B11H11)2]3βˆ’ to [Ag(eta-2-B11H11)2]3βˆ’ in the solid state upon cooling has been reported in @angewandtechemie.bsky.social.

The transformation shows signs of Ag(V)-Ag(I) redox processes.

πŸ”— CSD Entry UROFAM: dx.doi.org/10.5517/ccdc....

#FeaturedStructureFriday
#CompChemSky

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The first-ever crystalline, monomeric diboryl diazene is reported in @jacs.acspublications.org.

CSD Entry UNEWOD reveals a remarkably linear B–N–N–B skeleton and an exceptionally short N=N bond, signatures of a cumulenic BN=N=B framework.

πŸ”— dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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From the UIUC, three coordinate mononuclear palladium(i) halide complexes (@jacs.acspublications.org).

Rarely isolated, these structures are proposed as critical intermediates in photochemical Pd chemistry.

πŸ”— CSD Entry EQOLOP: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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The first crystalline Bi(II) radical anion has been reported by @joshabbenseth.bsky.social and co-workers in Angewandte Chemie.

Spectroscopic analysis revealed localization of the unpaired electron at the bismuth centre.

πŸ”— CSD Entry OPESOV: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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A novel carborane-based 2D #MOF that exhibits exceptional Cβ‚‚Hβ‚‚/COβ‚‚ separation performance is reported in @pubs.acs.org.

CSD Entry MUTCIR features a unique wavy sql layer with pores precisely tuned for Cβ‚‚Hβ‚‚ adsorption.

πŸ”— dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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From the University of Osaka, a carbon nanoring featuring alternating anthracene and phenylene groups (@jacs.acspublications.org).

Due to ring strain, the anthracene units are bent and the molecule has a quinoidal structure.

πŸ”— CSD Entry ENIHES: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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The isolation of a lithium bis(o-carboran-1-yl)cuprate complex that enables the β€œdump-and-stir” synthesis of carborane-substituted arenes from readily available aryl bromides and chlorides has been reported in JACS.

πŸ”— CSD Entry EKOYEM: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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SΓ‘nchez et al. report in @angewandtechemie.bsky.social the creation of nanogloves β€” macrocycles with a deep-cavity that snugly bind fullerenes like a baseball in a glove.⚾

CSD Entry EJITAW shows the C60 is stabilised by strong C–HΒ·Β·Β·Ο€ interactions.
πŸ”— ccdc-info.com/4gQqiRf

#FeaturedStructureFriday

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From @maxdietz.bsky.social and Simon Aldridge’s group, an example of a main-group tin-carbonyl complex (@science.org).

Above 0 degrees Celsius, this CO complex rearranges to form a tin carbene complex.

πŸ”— CSD Entry ELAMIR: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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The first intermolecular lithium eta-2-alkene complexes have been reported in @jacs.acspublications.org.

The alkene ligands are displaced in cyclohexane to give the first intermolecular Li-alkane complex.

πŸ”— CSD entry: EKOWAG dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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Sarpong et al. report in @pnas.org the synthesis of "carbamorphine", with a single-atom change (O→CH₂ in the E-ring).

CSD Entry UKEGAW (πŸ”Ž dx.doi.org/10.5517/ccdc...
) retains antinociception but lacks respiratory depression and addictive behaviours in mice.

#FeaturedStructureFriday #CompChemSky

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In @jacs.acspublications.org, an inverted singlet-triplet chiral dye.
Based on a heptazine core, this is the first example of single-molecule circularly polarized luminescence from a chiral dye.

πŸ”— CSD Entry OJEWAF: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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A double-sandwich bimetallic thorium hydride complex has been reported in @chemicalscience.rsc.org.

The complex can be regarded as a Th(II) hydride synthon and shows unique reactivity towards various substrates.

πŸ”— CSD Entry UKIMEK: dx.doi.org/10.5517/ccdc....

#FeaturedStructureFriday #CompChemSky

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From @cornellab.bsky.social‬, the first example of an organobismuth(iii) dihydride (@jacs.acspublications.org).

The compound was shown to be thermally unstable, decomposing to form a bismuth(i) species and H2.

πŸ”— CSD Entry LAMGAM: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #CompChemSky

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The structure of unsolvated neopentyl sodium has been reported by @evaheviagroup.bsky.social in Angew. Chem., revealing a rare tetrameric motif.

Combined with a Lewis base, it can metalate non-activated arenes and alkenes.

πŸ”— CSD Entry SAGDEO: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday

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