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Crystal structure of bis-[di-hydro-bis-(pyrazol-1-yl)borato-?² N ²,N ^2'](1,10-phenanthroline-?² N,N')zinc(II).

ABSTRACT: The asymmetric unit of the title compound, [Zn(C₆H₈N₄B)₂(C₁₂H₈N₂)], comprises one half of a Zn^II cation (site symmetry 2), one di-hydro-bis-(pyrazol-1-yl)borate ligand in a general position, and one half of a phenanthroline ligand, the other half being completed by twofold rotation symmetry. The Zn^II cation is coordinated in form of a slightly distorted octa-hedron by the N atoms of a phenanthroline ligand and by two pairs of N atoms of symmetry-related di-hydro-bis-(pyrazol-1-yl)borate ligands. The discrete complexes are arranged into columns that elongate in the c-axis direction with a parallel alignment of the phenanthroline ligands, indicating weak ?-? inter-actions.

SUBMITTER: Ossinger S

PROVIDER: S-EPMC6690474 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of bis-[di-hydro-bis-(pyrazol-1-yl)borato-κ2 N 2,N 2'](1,10-phenanthroline-κ2 N,N')zinc(II).

Ossinger Sascha S Näther Christian C Tuczek Felix F

Acta crystallographica. Section E, Crystallographic communications 20190704 Pt 8

The asymmetric unit of the title compound, [Zn(C6H8N4B)2(C12H8N2)], comprises one half of a ZnII cation (site symmetry 2), one di-hydro-bis-(pyrazol-1-yl)borate ligand in a general position, and one half of a phenanthroline ligand, the other half being completed by twofold rotation symmetry. The ZnII cation is coordinated in form of a slightly distorted octa-hedron by the N atoms of a phenanthrolin ...[more]

PMID: 31417775

Similar Datasets

Crystal structure of bis(5-bromo-1,10-phenanthroline-?2 N,N')bis-[di-hydro-bis-(pyrazol-1-yl)borato-?2 N 2,N 2']iron(II) toluene disolvate.

Project description:The structure determination of the title compound was undertaken as part of a project on the modification and synthesis of new spin-crossover (SCO) compounds based on octa-hedral FeII bis-(pyrazol-yl)borate complexes. In the course of these investigations, the compound [Fe(C6H8BN4)2(C12H7BrN2)] was synthesized, for which magnetic measurements revealed an incomplete spin-crossover behaviour. Crystallization of this compound from toluene led to the formation of crystals of the toluene disolvate, [Fe(C6H8N4B)2(C12H7N2Br)]·2C7H8. Its asymmetric unit comprises two discrete metal complex mol-ecules and two toluene solvent mol-ecules. One of the latter is severely disordered and its contribution to the diffracted intensities was removed using the SQUEEZE routine [Spek (2015 ?). Acta Cryst. C71, 9-18]. In each complex mol-ecule, the FeII cation is coordinated by the two N atoms of a 5-bromo-1,10-phenanthroline ligand and by two pairs of N atoms of chelating di-hydro-bis(pyrazol-1-yl)borate ligands in the form of a slightly distorted octa-hedron. The discrete complexes are arranged in columns along the a-axis direction with the toluene solvate mol-ecules located between the columns. The 5-bromo-1,10-phenanthroline ligands of neighbouring columns are approximately parallel and are slightly shifted relative to each other, indicating ?-? inter-actions.

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Poly[?(4)-glutarato-di-?(3)-glutarato-bis-(1,10-phenanthroline)diyttrium(III)].

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