Information card for entry 4073410

Structure parameters

• Formula: C50 H60 Th2
• Calculated formula: C50 H60 Th2
• SMILES: [CH]12=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8[Th]1345679%10%11%12%13([c]1([c]9([c]%10([c]%11([c]1%12C)C)C)C)C)([CH]1=[CH]%13[CH](=[CH]3C=CC=C1)[Th]145679%10%11%12%13%143([c]3([c]%11([c]%12([c]%13([c]3%14C)C)C)C)C)[CH]3=[CH]9[CH]7=[CH]6[CH]5=[CH]4[CH]%10=[CH]13)[CH]2=8.c1ccccc1
• Title of publication: Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2
• Authors of publication: Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3568
• a: 15.372 ± 0.007 Å
• b: 9.907 ± 0.004 Å
• c: 13.781 ± 0.006 Å
• α: 90°
• β: 103.242 ± 0.007°
• γ: 90°
• Cell volume: 2042.9 ± 1.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No