Information card for entry 7706966

Structure parameters

• Formula: C23 H26 Co N3 O3
• Calculated formula: C23 H26 Co N3 O3
• SMILES: [Co]12([N]3=C(C=C4N2C(=CC2OC[C@@H]([N]1=2)C(C)C)c1ccccc41)OC[C@@H]3C(C)C)C#[O]
• Title of publication: Reactivity of a T-shaped cobalt(I) pincer-complex.
• Authors of publication: Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6802 - 6810
• a: 6.15132 ± 0.00013 Å
• b: 19.7189 ± 0.0003 Å
• c: 52.865 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6412.4 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No