Information card for entry 7106406

Structure parameters

• Formula: C50 H48 B2 F20 Hf N2 O4
• Calculated formula: C50 H48 B2 F20 Hf N2 O4
• Title of publication: The hafnium-mediated NH activation of an amido-borane
• Authors of publication: Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5870
• a: 13.4352 ± 0.0003 Å
• b: 16.4726 ± 0.0003 Å
• c: 23.8938 ± 0.0004 Å
• α: 90°
• β: 100.44 ± 0.002°
• γ: 90°
• Cell volume: 5200.46 ± 0.18 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No