Information card for entry 4086776

Structure parameters

• Formula: C11 H16 Co N3 O3
• Calculated formula: C11 H16 Co N3 O3
• SMILES: [Co](=C1N(C=CN1C(C)C)C(C)C)(N=O)(C#[O])C#[O]
• Title of publication: Correction to 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.; Härterich, Heidi Schneider Marcel; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 12.5393 ± 0.0008 Å
• b: 7.8237 ± 0.0005 Å
• c: 15.1292 ± 0.0009 Å
• α: 90°
• β: 110.084 ± 0.002°
• γ: 90°
• Cell volume: 1393.98 ± 0.15 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: 0.024
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No