Information card for entry 4331193

Structure parameters

• Formula: C10 H12 N4 O
• Calculated formula: C10 H12 N4 O
• SMILES: c12cc(c3c([C@H](CC3)OC)n1nnn2)C
• Title of publication: Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation
• Authors of publication: Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12948 - 12958
• a: 6.799 ± 0.004 Å
• b: 8.888 ± 0.004 Å
• c: 15.767 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 952.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No