Information card for entry 1559551

Structure parameters

• Common name: tetraethylammonium bis(2,2,3,3-tetramethyl-2,5-pyrrolidinedionato)bromate(1-) [N(C2H5)4][Br(C8H12NO2)2]
• Formula: C24 H44 Br N3 O4
• Calculated formula: C24 Br N3 O4
• SMILES: [Br](N1C(=O)C(C(C1=O)(C)C)(C)C)[N]1C(=O)C(C(C1=O)(C)C)(C)C.[N+](CC)(CC)(CC)CC
• Title of publication: Organic 'Hypervalent' Bromine Compounds: the Structure of a Linear N-Bromotetramethylsuccinimide-Tetramethylsuccinimidate Complex in the Solid State
• Authors of publication: Elding, M.; Albertsson, J.; Svensson, G.; Eberson, L.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1990
• Journal volume: 44
• Pages of publication: 135 - 138
• a: 9.739 ± 0.003 Å
• b: 25.869 ± 0.005 Å
• c: 10.942 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2756.7 ± 1.1 ų
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No