Information card for entry 1565132

Structure parameters

• Formula: C27 H38 Cu N2 O
• Calculated formula: C27 H38 Cu N2 O
• Title of publication: Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes
• Authors of publication: He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 15.755 ± 0.004 Å
• b: 9.051 ± 0.002 Å
• c: 18.592 ± 0.004 Å
• α: 90°
• β: 101.785 ± 0.003°
• γ: 90°
• Cell volume: 2595.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No