Information card for entry 4073481

Structure parameters

• Common name: C6H5CH2Co(gH)2Py
• Formula: C20 H26 Co N5 O4
• Calculated formula: C20 H26 Co N5 O4
• SMILES: [Co]12([n]3ccc(cc3)C(C)(C)C)([N](O)=CC=N1=O)([N](O)=CC=N2=O)Cc1ccccc1
• Title of publication: Co−C Bond Reactivity andCisInfluence Relationship in Benzylcobaloximes with Glyoxime and Dimesitylglyoxime
• Authors of publication: Bhuyan, Mouchumi; Laskar, Moitree; Mandal, Debaprasad; Gupta, B. D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3559
• a: 10.177 ± 0.004 Å
• b: 10.854 ± 0.004 Å
• c: 19.864 ± 0.007 Å
• α: 90°
• β: 101.01 ± 0.02°
• γ: 90°
• Cell volume: 2153.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1879
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No