Information card for entry 4083708

Structure parameters

• Formula: C4 H16 B2 Ca O
• Calculated formula: C4 H16 B2 Ca O
• 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: 4.3659 ± 0.0003 Å
• b: 12.3208 ± 0.0008 Å
• c: 15.5787 ± 0.001 Å
• α: 90°
• β: 92.09 ± 0.004°
• γ: 90°
• Cell volume: 837.44 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3206
• Weighted residual factors for all reflections included in the refinement: 0.343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No