Information card for entry 4082522

Structure parameters

• Formula: C47 H70 Y2
• Calculated formula: C47 H70 Y2
• SMILES: [YH]12345678([H][Y]9%10%11%12%13%14%15%16([c]%17([c]9([c]%10([c]%11([c]%12%17C)C)C)C)C)[c]9([c]%16([c]%15([c]%14([c]%139C)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: Solvent-Free Organometallic Reactivity: Synthesis of Hydride and Carboxylate Complexes of Uranium and Yttrium from Gas/Solid Reactions
• Authors of publication: Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 433
• a: 10.9754 ± 0.0015 Å
• b: 31.177 ± 0.004 Å
• c: 12.5004 ± 0.0017 Å
• α: 90°
• β: 99.6476 ± 0.0018°
• γ: 90°
• Cell volume: 4216.9 ± 1 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No