Information card for entry 7048791

Structure parameters

• Formula: C46 H68 Se2 Th
• Calculated formula: C46 H68 Se2 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: 22.726 ± 0.006 Å
• b: 20.038 ± 0.005 Å
• c: 19.906 ± 0.005 Å
• α: 90°
• β: 104.794 ± 0.003°
• γ: 90°
• Cell volume: 8764 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No