Information card for entry 4086777

Structure parameters

• Formula: C7 H8 Co N3 O3
• Calculated formula: C7 H8 Co N3 O3
• SMILES: [Co](=C1N(C=CN1C)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: 7.1478 ± 0.0006 Å
• b: 7.763 ± 0.0006 Å
• c: 9.4028 ± 0.0008 Å
• α: 75.97 ± 0.003°
• β: 71.492 ± 0.003°
• γ: 76.53 ± 0.003°
• Cell volume: 473.05 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No