Information card for entry 4088742

Structure parameters

• Formula: C15 H24 Co N5 O2
• Calculated formula: C15 H24 Co N5 O2
• SMILES: [Co](=C1N(C(=C(N1C)C)C)C)(=C1N(C(=C(N1C)C)C)C)(C#[O])N=O
• Title of publication: Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes
• Authors of publication: Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2806
• a: 9.2608 ± 0.0004 Å
• b: 11.1303 ± 0.0005 Å
• c: 17.2042 ± 0.0008 Å
• α: 90°
• β: 99.803 ± 0.0014°
• γ: 90°
• Cell volume: 1747.44 ± 0.14 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: 0.0292
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No