Information card for entry 7048794

Structure parameters

• Formula: C37 H65 O P Th
• Calculated formula: C37 H65 O P Th
• Title of publication: A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.
• Authors of publication: Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2377 - 2387
• a: 12.2839 ± 0.0003 Å
• b: 18.1136 ± 0.0005 Å
• c: 16.7491 ± 0.0005 Å
• α: 90°
• β: 92.286 ± 0.002°
• γ: 90°
• Cell volume: 3723.8 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0752
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No