Information card for entry 4069962

Structure parameters

• Formula: C26 H52 B9 Hf Li O4
• Calculated formula: C26 H52 B9 Hf Li O4
• Title of publication: Metallacarboranes Incorporating anarachno-η6-C2B9Ligand
• Authors of publication: Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5998
• a: 27.091 ± 0.002 Å
• b: 10.8444 ± 0.0008 Å
• c: 27.203 ± 0.002 Å
• α: 90°
• β: 119.478 ± 0.002°
• γ: 90°
• Cell volume: 6957.3 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No