Alexander Pöthig

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc2bz3ct

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CCDC 1868209: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Polly L. Arnold Ryan Kerr Catherine Weetman Scott Doherty Julia Rieb

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc20q0tl

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CCDC 1868204: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Polly L. Arnold Ryan Kerr Catherine Weetman Scott Doherty Julia Rieb

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc20q0nf

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CCDC 1856101: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Polly L. Arnold Ryan Kerr Catherine Weetman Scott Doherty Julia Rieb

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc209f70

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CCDC 1856106: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Polly L. Arnold Ryan Kerr Catherine Weetman Scott Doherty Julia Rieb

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc209fd5

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Endohedral Coordination of Bulky Substrates in Metalloenzyme-like Organometallic Nanotubes

Thomas Pickl Patrick Mollik Markus R. Anneser Florian Sixt Korbinian Geißer

Artificial receptors inspired by metalloenzymes share three key properties: a structurally flexible cavity, substrate binding via metal–ligand coordination, and metal-based redox activity. Herein, we report an organometallic nanotube with such features based on our supramolecular pillarplex platform, with eight CuI centers integrated in its cavitand walls. The structurally adaptable cavity of this recep-tor enables the endohedral coordination of tetrahydrofuran (THF) as a hydrophilic model substrate with remarkable binding affinity de-spite a steric mismatch between the host and guest. Evidence from SC-XRD, 1H NMR titration in aqueous solution, and DFT modelling confirms that metal–ligand coordination governs substrate binding. Electrochemical analysis of a derived rotaxane reveals metal-centered redox activity.

Cavitand

Tetrahydrofuran

Coordination complex

10.26434/chemrxiv-2025-rsgrl-v2

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Brønsted-Säure-Katalyse der [2+2]-Photocycloaddition von Enondithianen bei Bestrahlung mit sichtbarem Licht

Angewandte Chemie (2017)

Christoph Brenninger Alexander Pöthig Thorsten Bach

Abstract Die intramolekulare [2+2]‐Photocycloaddition von Enonen, deren Carbonylgruppe als 1,3‐Dithian geschützt ist (Enondithiane), gelang unter Verwendung einer Brønsted‐Säure (7.5–10 Mol‐%) mit sichtbarem Licht (λ=405 nm). Entscheidend für den Erfolg der Reaktion ist vermutlich die Bildung von farbigen Thioniumionen, die Intermediate des Katalysezyklus sind. Als Produkte werden in sehr guten Ausbeuten (78–90 %) Cyclobutane erhalten. Es wird gezeigt, dass die Dithianeinheit reduktiv oder oxidativ entfernt werden kann, ohne das photochemisch aufgebaute Ringgerüst zu beeinträchtigen.

10.1002/ange.201700837

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A hybrid imidazolylidene/imidazolium nickel NHC complex: an isolated intermediate

Acta Crystallographica Section C Structural Chemistry (2017)

Philipp J. Altmann Michael G. Ehrenreich Alexander Pöthig

Macrocyclic ligand systems with a variety of (different) donor sites oftentimes give rise to very exciting and unexpected multinuclear metal complexes. We report herein the structure of a trinuclear mixed imidazolylidene/imidazolium nickel N-heterocyclic carbene (NHC) complex, namely di-μ-chlorido-bis{μ-calix[2]imidazolium[2]imidazolylidene[2]pyrazolate}trinickel(II) tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate, [Ni3(C24H24N12)2Cl2](PF6)4·4CH3CN or [Ni3(LMe)2Cl2](PF6)4·4CH3CN, that can be understood as a trapped reaction intermediate during the synthesis of the respective [Ni2LMe](PF6)2 product. The structure not only contains protonated next to deprotonated imidazole heterocycles, but also Ni2+ ions with fundamentally different coordination modes within one molecule. Two of the three metal atoms are coordinated in a square-pyramidal fashion by half a ligand molecule and one chloride ligand, whereas the third Ni2+ ion is bound octahedrally by four pyrazolate moieties and two chloride anions.

Imidazole

10.1107/s2053229617013250

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CCDC 1011840: Experimental Crystal Structure Determination

The Cambridge Structural Database (2014)

Alexander Tronnier Alexander Pöthig Stefan Metz Gerhard Wagenblast Ingo Münster

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/cc12yx0y

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CCDC 971822: Experimental Crystal Structure Determination

The Cambridge Structural Database (2014)

Dominik Nitsch Stefan M. Huber Alexander Pöthig Arjun Narayanan George A. Olah

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.5517/cc11m831

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Alexander Pöthig

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