Information card for entry 1572424

Structure parameters

• Formula: C24 H38 Cl O Sc
• Calculated formula: C24 H38 Cl O Sc
• Title of publication: Dinitrogen Reduction Chemistry with Scandium Provides a Complex with Two Side-on (N=N)2− Ligands Bound to One Metal: (C5Me5)Sc[(µ-η2:η2-N2)Sc(C5Me5)2]2
• Authors of publication: Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 8.4652 ± 0.0003 Å
• b: 16.6864 ± 0.0005 Å
• c: 17.8292 ± 0.0006 Å
• α: 63.797 ± 0.003°
• β: 88.175 ± 0.002°
• γ: 87.697 ± 0.002°
• Cell volume: 2257.53 ± 0.14 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No