Information card for entry 4306286

Structure parameters

• Formula: C48 H84 Hf N2 O5
• Calculated formula: C48 H84 Hf N2 O5
• Title of publication: Group IV Imino-Semiquinone Complexes Obtained by Oxidative Addition of Halogens
• Authors of publication: Karen J. Blackmore; Michael B. Sly; Mason R. Haneline; Joseph W. Ziller; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10522 - 10532
• a: 13.3201 ± 0.0014 Å
• b: 19.716 ± 0.002 Å
• c: 19.218 ± 0.002 Å
• α: 90°
• β: 102.407 ± 0.002°
• γ: 90°
• Cell volume: 4929.1 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No