Information card for entry 4118738

Structure parameters

• Formula: C8 H26 B2 N2
• Calculated formula: C8 H26 B2 N2
• SMILES: [BH2]([N]([BH3])(C)C)[NH](C(C)C)C(C)C
• Title of publication: Mechanism of Metal-Free Hydrogen Transfer between Amine-Boranes and Aminoboranes
• Authors of publication: Erin M. Leitao; Naomi E. Stubbs; Alasdair P. M. Robertson; Holger Helten; Robert J. Cox; Guy C. Lloyd-Jones; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16805 - 16816
• a: 6.2504 ± 0.0002 Å
• b: 16.0235 ± 0.0005 Å
• c: 12.3864 ± 0.0004 Å
• α: 90°
• β: 94.204 ± 0.001°
• γ: 90°
• Cell volume: 1237.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No