Information card for entry 4104184

Structure parameters

• Common name: (DIPP-nacnac)Ca(DIPP)N=BH2.THF
• Formula: C45 H68 B Ca N3 O
• Calculated formula: C45 H68 B Ca N3 O
• Title of publication: Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex
• Authors of publication: Jan Spielmann; Sjoerd Harder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5064 - 5065
• a: 11.139 ± 0.0003 Å
• b: 18.6226 ± 0.0004 Å
• c: 21.2712 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4412.44 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No