Information card for entry 2222671

Structure parameters

• Chemical name: [tris(hydroxymethyl)methyl]ammonium tetraoxidorhenate(VII)
• Formula: C4 H12 N O7 Re
• Calculated formula: C4 H12 N O7 Re
• SMILES: [Re](=O)(=O)(=O)[O-].[NH3+]C(CO)(CO)CO
• Title of publication: Extensive hydrogen-bonding network and an unusual cation conformation in [tris(hydroxymethyl)methyl]ammonium tetraoxidorhenate(VII)
• Authors of publication: Hołyńska, Małgorzata; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m998 - m999
• a: 21.45 ± 0.005 Å
• b: 6.867 ± 0.002 Å
• c: 12.219 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.8 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes