Information card for entry 7034548

Structure parameters

• Formula: C55 H63 N2 Si Th
• Calculated formula: C55 H63 N2 Si Th
• Title of publication: A thorium metallacyclopentadiene complex: a combined experimental and computational study.
• Authors of publication: Fang, Bo; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7927 - 7934
• a: 14.231 ± 0.003 Å
• b: 22.998 ± 0.005 Å
• c: 14.519 ± 0.003 Å
• α: 90°
• β: 91.535 ± 0.004°
• γ: 90°
• Cell volume: 4750.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No