Information card for entry 4081103

Structure parameters

• Formula: C20 H25 Co N2 O6
• Calculated formula: C20 H25 Co N2 O6
• SMILES: [Co]123([N]4=C(OCC4(C)C)c4c3c(ccc4)C3=[N]1C(CO3)(C)C)(OC(=O)C)[O]=C(O2)C
• 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: 9.092 ± 0.003 Å
• b: 10.166 ± 0.003 Å
• c: 11.559 ± 0.003 Å
• α: 90°
• β: 106.914 ± 0.005°
• γ: 90°
• Cell volume: 1022.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No