Information card for entry 4081100

Structure parameters

• Formula: C19 H19 Co N2 O5
• Calculated formula: C19 H19 Co N2 O5
• SMILES: c12c(cccc1C1=NC(CO1)(C)C)C1=[N](C(CO1)(C)C)[Co]2(C#[O])(C#[O])C#[O]
• Title of publication: NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands
• Authors of publication: Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3980
• a: 12.868 ± 0.0014 Å
• b: 15.9732 ± 0.0017 Å
• c: 18.6685 ± 0.0019 Å
• α: 90°
• β: 92.492 ± 0.002°
• γ: 90°
• Cell volume: 3833.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No