Information card for entry 4119473

Structure parameters

• Formula: C29 H43 Dy
• Calculated formula: C29 H43 Dy
• SMILES: [Dy]123456789(C%10[C]1(=C(C(=C%10C)C)C)C)([c]1([c]2([c]5([c]4([c]31C)C)C)C)C)[c]1([c]6([c]9([c]8([c]71C)C)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: 10.037 ± 0.0005 Å
• b: 14.3561 ± 0.0007 Å
• c: 17.7392 ± 0.0008 Å
• α: 92.3266 ± 0.0005°
• β: 90.3471 ± 0.0005°
• γ: 99.9098 ± 0.0005°
• Cell volume: 2515.6 ± 0.2 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: 0.0251
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No