Information card for entry 7133990

Structure parameters

• Formula: C17 H14 N2 Ni O
• Calculated formula: C17 H14 N2 Ni O
• Title of publication: Electrochemical Aldehydes Hydrogenation: Probing the Inner-Sphere Strategy with Nickel-Bipyridine Complexes
• Authors of publication: Durin, Gabriel; Lee, Mijung; Pogany, Martina Aliz; Kahl, Christian; Weyhermueller, Thomas; Leitner, Walter; Kaeffer, Nicolas
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 6.8635 ± 0.0003 Å
• b: 22.7679 ± 0.0009 Å
• c: 8.8158 ± 0.0003 Å
• α: 90°
• β: 94.763 ± 0.002°
• γ: 90°
• Cell volume: 1372.87 ± 0.09 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No