Information card for entry 4331679

Structure parameters

• Formula: C14 H23 Co N6 O4
• Calculated formula: C14 H23 Co N6 O4
• SMILES: [Co]12(C)([N](=C(C(C)=[N]2O)C)O)(N(=C(C(C)=N1=O)C)=O)[n]1c(cccc1)N
• Title of publication: Metal Coordination by Sterically Hindered Heterocyclic Ligands, Including 2-Vinylpyridine, Assessed by Investigation of Cobaloximes
• Authors of publication: Siega, Patrizia; Randaccio, Lucio; Marzilli, Patricia A.; Marzilli, Luigi G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3359 - 3368
• a: 9.1131 ± 0.0012 Å
• b: 9.3076 ± 0.0012 Å
• c: 11.4675 ± 0.0015 Å
• α: 86.492 ± 0.003°
• β: 88.428 ± 0.003°
• γ: 61.207 ± 0.003°
• Cell volume: 850.83 ± 0.19 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: 0.1146
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No