Information card for entry 4083707

Structure parameters

• Formula: C8 H24 B2 N2
• Calculated formula: C8 H24 B2 N2
• SMILES: [BH2]1[NH](C(C)(C)C)[BH2][NH]1C(C)(C)C
• Title of publication: Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides
• Authors of publication: Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5716
• a: 9.3985 ± 0.0004 Å
• b: 7.3499 ± 0.0004 Å
• c: 17.0003 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1174.35 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No