Information card for entry 4087036

Structure parameters

• Common name: [Re(impy)(CO)3Br]
• Chemical name: [Re(impy)(CO)3Br]
• Formula: C16 H12 Br N2 O3 Re
• Calculated formula: C16 H12 Br N2 O3 Re
• SMILES: [Re]1(Br)(C#[O])(C#[O])([N](c2ccc(cc2)C)=Cc2[n]1cccc2)C#[O]
• Title of publication: Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence
• Authors of publication: Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 839
• a: 9.073 ± 0.005 Å
• b: 26.65 ± 0.005 Å
• c: 6.921 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.955 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1573 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No