Information card for entry 4087319

Structure parameters

• Formula: C26 H35 N Ni O3
• Calculated formula: C26 H35 N Ni O3
• SMILES: N1(C(C2(CCCCC2)CC1(C)C)=[Ni](C#[O])(C#[O])C#[O])c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes
• Authors of publication: Paul, Ursula S. D.; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1398
• a: 9.4425 ± 0.0005 Å
• b: 15.0132 ± 0.0008 Å
• c: 16.8434 ± 0.0009 Å
• α: 90°
• β: 92.668 ± 0.002°
• γ: 90°
• Cell volume: 2385.2 ± 0.2 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: 0.0269
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No