Information card for entry 4502417

Structure parameters

• Common name: ‘Aluminium-Borate’
• Formula: C5 H19 Al B5 N3 O11
• Calculated formula: C5 H17 Al B5 N3 O11
• Title of publication: Amine-Templated Aluminoborates Exhibiting Graphite and Diamond Nets
• Authors of publication: Paul, Avijit Kumar; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 765
• a: 8.921 ± 0.0005 Å
• b: 10.0784 ± 0.0004 Å
• c: 8.9621 ± 0.0007 Å
• α: 90°
• β: 109.686 ± 0.007°
• γ: 90°
• Cell volume: 758.68 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No