Information card for entry 4073406

Structure parameters

• Formula: C47 H69 U2
• Calculated formula: C47 H68 U2
• SMILES: [U]123456789([H][U]%10%11%12%13%14%15%16%17([H]9)([c]9([c]%12([c]%11([c]%10([c]%139C)C)C)C)C)[c]9([c]%17([c]%14([c]%15([c]%169C)C)C)C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.c1(ccccc1)C
• 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: 16.032 ± 0.002 Å
• b: 14.186 ± 0.002 Å
• c: 38.211 ± 0.006 Å
• α: 90°
• β: 96.765 ± 0.003°
• γ: 90°
• Cell volume: 8630 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No