Information card for entry 7048790

Structure parameters

• Formula: C40 H66 O Th
• Calculated formula: C40 H66 O 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: 10.2293 ± 0.0001 Å
• b: 20.8251 ± 0.0002 Å
• c: 17.4204 ± 0.0002 Å
• α: 90°
• β: 95.537 ± 0.001°
• γ: 90°
• Cell volume: 3693.69 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No