Information card for entry 7018771

Structure parameters

• Formula: C26 H42 Br2 Th
• Calculated formula: C26 H42 Br2 Th
• Title of publication: A bipyridyl thorium metallocene: synthesis, structure and reactivity
• Authors of publication: Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5965
• a: 19.672 ± 0.003 Å
• b: 16.5 ± 0.002 Å
• c: 8.6722 ± 0.0011 Å
• α: 90°
• β: 98.197 ± 0.003°
• γ: 90°
• Cell volume: 2786.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No