Information card for entry 2221590

Structure parameters

• Chemical name: <i>catena</i>-Poly[sodium(I)-μ-tetrabutoxyborato]
• Formula: C16 H36 B Na O4
• Calculated formula: C16 H36 B Na O4
• SMILES: [B](OCCCC)(OCCCC)(OCCCC)OCCCC.[Na+]
• Title of publication: <i>catena</i>-Poly[sodium(I)-μ-tetrabutoxyborato]
• Authors of publication: Gainsford, Graeme J.; Kemmitt, Tim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m496
• a: 13.3552 ± 0.0017 Å
• b: 13.3552 ± 0.0017 Å
• c: 5.7422 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1024.2 ± 0.2 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes