Information card for entry 7048789

Structure parameters

• Formula: C42 H68 N4 Th
• Calculated formula: C42 H68 N4 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: 13.4503 ± 0.0004 Å
• b: 17.0758 ± 0.0005 Å
• c: 17.6755 ± 0.0005 Å
• α: 90°
• β: 97.625 ± 0.003°
• γ: 90°
• Cell volume: 4023.7 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0397
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No