Information card for entry 4306288

Structure parameters

• Formula: C36 H58 Br2 Hf N2 O2
• Calculated formula: C36 H58 Br2 Hf N2 O2
• 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: 21.351 ± 0.01 Å
• b: 9.661 ± 0.005 Å
• c: 18.668 ± 0.009 Å
• α: 90°
• β: 94.783 ± 0.008°
• γ: 90°
• Cell volume: 3837 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No