Information card for entry 2216674

Structure parameters

• Chemical name: Tetraethylammonium bromidotricarbonyl[3,5,7-tribromotropolonato(1-)- κ^2^<i>O</i>,<i>O</i>']rhenate(I)
• Formula: C18 H22 Br4 N O5 Re
• Calculated formula: C18 H22 Br4 N O5 Re
• SMILES: [Re]1(Br)([O]=C2C(Br)=CC(=CC(=C2O1)Br)Br)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium bromidotricarbonyl[3,5,7-tribromotropolonato(1‒)-κ^2^<i>O</i>,<i>O</i>']rhenate(I)
• Authors of publication: Schutte, Marietjie; Visser, Hendrik G.; Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3195 - m3196
• a: 8.952 ± 0.0003 Å
• b: 10.0667 ± 0.0003 Å
• c: 15.3855 ± 0.0007 Å
• α: 108.391 ± 0.002°
• β: 92.198 ± 0.002°
• γ: 112.888 ± 0.001°
• Cell volume: 1191.35 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes