Information card for entry 4087815

Structure parameters

• Formula: C24 H37 Y
• Calculated formula: C24 H37 Y
• SMILES: [Y]123456789%10([c]%11([c]4([c]3([c]2([c]1%11C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)[CH2]=[C]9(C%10)C
• Title of publication: Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes
• Authors of publication: Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4387
• a: 11.0137 ± 0.0017 Å
• b: 14.194 ± 0.002 Å
• c: 15.681 ± 0.002 Å
• α: 67.4577 ± 0.0018°
• β: 75.8753 ± 0.0019°
• γ: 84.5088 ± 0.0019°
• Cell volume: 2195.6 ± 0.5 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No