Information card for entry 4119474

Structure parameters

• Formula: C28 H41 Lu
• Calculated formula: C28 H41 Lu
• SMILES: [Lu]123456789([c]%10([c]4([c]3([c]2([c]1%10C)C)C)C)C)(C1[C]5(=C(C(=C1C)C)C)C)[c]1([cH]6[c]9([c]8([c]71C)C)C)C
• Title of publication: Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes
• Authors of publication: Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3804 - 3807
• a: 22.97 ± 0.002 Å
• b: 10.2044 ± 0.0009 Å
• c: 23.173 ± 0.002 Å
• α: 90°
• β: 114.601 ± 0.001°
• γ: 90°
• Cell volume: 4938.6 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No