Axel Klein

University of Cologne

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Damir A. Safin

Ural Federal University

Maria G. Babashkina

UCLouvain

Kathrin Stirnat

University of Cologne

K. Butsch

University of Cologne

Wolfgang Kaim

University of Stuttgart

David A. Vicic

Lehigh University

Anna Lüning

University of Cologne

Aaron Sandleben

University of Cologne

Ingo Pantenburg

University of Cologne

Alexander Krest

University of Cologne

Cooperative Institutions

University of Cologne

171

University of Stuttgart

Centre National de la Recherche Scientifique

Institute of Inorganic Chemistry of the Slovak Academy of Sciences

Czech Academy of Sciences, J. Heyrovský Institute of Physical Chemistry

Shiraz University

University of Münster

Ruhr University Bochum

University of Freiburg

ETH Zurich

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CCDC 2149898: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Rose Jordan Iván Maisuls Shruthi S. Nair Benjamin Dietzek‐Ivanšić Cristian A. Strassert

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.cc2b54k7

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CCDC 2048374: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Andreas O. Schüren B.M. Ridgway Florencia Di Salvo Luca M. Carella Verena K. Gramm

10.5517/ccdc.csd.cc26rhl2

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Tuning the Terminal N* and C^ Moieties Toward Tailored Pt(II) Complexes with Thiazole-Based N*N^C Luminophores

Organometallics (2025)

Stefan Buss Leon Geerkens Rose Jordan Lukas Kletsch Alexander Hepp

Thiazole

10.1021/acs.organomet.4c00298

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Cyclooctadienemethylplatinum complexes: synthesis, reactivity, molecular structure and spectroscopic properties of the organometallic hydroxoplatinum(II) complex [(COD)PtMe(OH)]

Journal of Organometallic Chemistry (1999)

Axel Klein Karl‐Wilhelm Klinkhammer T. Scheiring

Phenylacetylene

Organometallic Chemistry

Reactivity

Cyclooctadiene

10.1016/s0022-328x(99)00500-8

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Citations (54)

Halide coordinated homoleptic [Fe₄S₄X₄]²⁻and heteroleptic [Fe₄S₄X₂Y₂]²⁻clusters (X, Y = Cl, Br, I)—alternative preparations, structural analogies and spectroscopic properties in solution and solid state

Dalton Transactions (2015)

Andreas O. Schüren Verena K. Gramm Maximilian Dürr Ana Foi Ivana Ivanović‐Burmazović

New facile methods to prepare iron sulphur halide clusters [Fe4S4X4](2-) from [Fe(CO)5] and elemental sulphur were elaborated. Reactions of ferrous precursors like tetrahalidoferrates(ii) or simple ferrous halides with [Fe(CO)5] and sulphur turned out to be efficient methods to prepare homoleptic [Fe4S4X4](2-) (X = Cl, Br) and heteroleptic clusters [Fe4S4X4-nYn](2-) (X = Cl, Br; Y = Br, I). Solid materials were obtained as salts of BTMA(+) (= benzyltrimethylammonium); the new compounds containing [Fe4S4Br4](2-) and [Fe4S4X2Y2](2-) (X, Y = Cl, Br, I) were all isostructural to (BTMA)2[Fe4S4I4] (monoclinic, Cc) as inferred from synchrotron X-ray powder diffraction. While the solid materials contain defined heteroleptic clusters with a halide X : Y ratio of 2 : 2, dissolving these compounds leads to rapid scrambling of the halide ligands forming mixtures of all five possible [Fe4S4X4-nYn](2-) clusters as could be shown by UHR-ESI MS. The variation of X and Y allowed assignment of the absorption bands in the visible and NIR; the long-wavelength bands around 1100 nm were tentatively assigned to intervalence charge transfer (IVCT) transitions.

Homoleptic

Isostructural

Monoclinic crystal system

10.1039/c5dt02769a

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Tetraorganopnictonium and Alkali Metal Salts of Pyridine‐2,6‐di‐tetrazolate

Zeitschrift für anorganische und allgemeine Chemie (2017)

Alexander Krest S. Nitsche Natalia Arefyeva Ireneus Grzesiak Melanie Werker

Alkali metal (Na, K) and tetraorganopnictonium (AsPh 4 , PPh 4 ) salts were prepared from 2,6‐bis(1 H ‐tetrazol‐5‐yl)pyridine (H 2 pydtz) and characterized by multinuclear NMR, IR, and UV/Vis absorption spectroscopy. Single crystal XRD of (AsPh 4 ) 2 (pydtz) · 5H 2 O reveals isolated pydtz 2– dianions sandwiched between two AsPh 4 + cations and an interesting hydrogen bridging network comprising the five co‐crystallized water molecules and the three pydtz N atoms. (PPh 4 ) 2 (pydtz) · 5H 2 O is isostructural to (AsPh 4 ) 2 (pydtz) · 5H 2 O as revealed from powder XRD measurements and corresponding Rietveld fits. The crystal structure of the mixed salt Na 3 (PPh 4 )(pydtz) 2 · 12H 2 O reveals π‐stacking interaction of the pydtz 2– , a polymeric chain of water molecules and Na + cations in an extended hydrogen bonding and Na + ‐coordinating network. PPh 4 + cations interact solely through their positive charge. The alkali metal salts were soluble in water, alcohols, and DMF, whereas the pnictonium salts were additionally soluble in less polar solvents such as acetone, DMSO, CH 2 Cl 2 , or THF.

Isostructural

10.1002/zaac.201700275

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CCDC 2141888: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Joshua Friedel Maren Krause Rose Jordan Iván Maisuls Dana Brünink

10.5517/ccdc.csd.cc29wt56

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World view: Rudderless and adrift ‐ moral directions in drug policy

Drugs and Alcohol Today (2005)

Axel Klein

10.1108/17459265200500056

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CdS Nanoparticles Fabricated from the Single-Source Precursor [Cd{Et₂NC(S)NP(S)(OiPr)₂}₂]: In Depth Experimental and Theoretical Studies

Crystal Growth & Design (2016)

Maria G. Babashkina Damir A. Safin Mariusz P. Mitoraj Filip Sagan Michael Bolte

Reaction of the diethylammonium salt of N-thiophosphorylated thioureate [Et2NC(S)NP(S)(OiPr)2]− (L–) with CdCl2 in aqueous ethanol leads to the complex [CdL2]. The compound crystallizes in the triclinic space group P1̅ with Z = 2 and the metal cation is found in a tetrahedral S2S′2 coordination environment formed by the C–S and P–S sulfur atoms. The Hirshfeld surface analysis showed that the structure of [CdL2] is dominated by H···H, S···H, and O···H contacts. According to charge and energy decomposition scheme ETS-NOCV, topological noncovalent index (NCI) and quantum theory of atoms in molecules (QTAIM) calculations, both inter- and intramolecular noncovalent C–H···S and C–H···H–C interactions are the main factors that stabilize [CdL2]. Calculated NMR data, based on the GIAO approach, are in very good agreement with experimental data. The complex [CdL2] is an efficient single-source precursor for the formation of TOPO-capped CdS nanoparticles of about 5 nm diameter with wurtzite structure (TOPO = tri-n-octylphosphine oxide). Their growth was monitored over a period of time by means of UV–vis spectroscopy. From ETS-NOCV modeling, the TOPO molecules were found to strongly adhere to the CdS nanoparticles through dative-covalent Cd–O bonds as well as through secondary noncovalent C–H···Cd and C–H···S interactions. The characteristic band edge luminescence was observed in the emission spectra of all samples. The TEM microscopy showed well-dispersed spherical CdS nanoparticles; the composition was supported by EDX.

Triclinic crystal system

Non-covalent interactions

10.1021/acs.cgd.6b00275

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Citations (8)

CCDC 802750: Experimental Crystal Structure Determination

The Cambridge Structural Database (2011)

Iris Kieltsch Galyna G. Dubinina Cláudia Hamacher Anja Kaiser Jorge Torres-Nieto

10.5517/ccvyb58

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