Information card for entry 4308515

Structure parameters

• Chemical name: tetraethylammonium dibromo nitrato tricarbonyl rhenate
• Formula: C10 H20 Br2 N3 O6 Re
• Calculated formula: C10 H20 Br2 N3 O6 Re
• SMILES: [Re](Br)(Br)(ON(=O)=O)(N=O)(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses
• Authors of publication: Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 683 - 690
• a: 10.2054 ± 0.0005 Å
• b: 12.5317 ± 0.0006 Å
• c: 13.9781 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1787.67 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No