Information card for entry 2228904

Structure parameters

• Chemical name: Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)
• Formula: C16 H27 Br N O5 Re
• Calculated formula: C16 H27 Br N O5 Re
• SMILES: C1(=CC(C)=[O][Re](O1)(Br)(C#[O])(C#[O])C#[O])C.C(C)[N+](CC)(CC)CC
• Title of publication: Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)
• Authors of publication: Brink, Alice; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m34 - m35
• a: 13.0931 ± 0.0001 Å
• b: 14.5865 ± 0.0001 Å
• c: 20.8724 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3986.26 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes