Information card for entry 4067939

Structure parameters

• Common name: NaB(C6H5)4
• Chemical name: Sodium tetraphenylborate at 90 K
• Formula: C24 H20 B Na
• Calculated formula: C24 H20 B Na
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Na+]
• Title of publication: Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs)
• Authors of publication: Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 905
• a: 7.3252 ± 0.0016 Å
• b: 16.291 ± 0.004 Å
• c: 15.763 ± 0.004 Å
• α: 90°
• β: 102.173 ± 0.007°
• γ: 90°
• Cell volume: 1838.8 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No