Information card for entry 4331678

Structure parameters

• Formula: C16 H24 Co N5 O4
• Calculated formula: C16 H24 Co N5 O4
• SMILES: [Co]12(N(=O)=C(C(=[N]1O)C)C)(N(=O)=C(C(=[N]2O)C)C)([n]1c(cccc1)C=C)C
• 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: 8.879 ± 0.003 Å
• b: 9.144 ± 0.003 Å
• c: 12.123 ± 0.004 Å
• α: 91.552 ± 0.006°
• β: 91.931 ± 0.007°
• γ: 116.729 ± 0.005°
• Cell volume: 877.6 ± 0.5 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: 0.169
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No