Information card for entry 4073480

Structure parameters

• Common name: 2-naphthylCH2(O2)Co(dmestgH)2Py
• Formula: C58 H64 Cl4 Co N5 O6
• Calculated formula: C58 H64 Cl4 Co N5 O6
• SMILES: [Co]12(OOCc3ccc4ccccc4c3)([N](O)=C(C(=[N]1O)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(N(=O)=C(C(=N2=O)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1ccccc1.ClCCl.ClCCl
• 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: 8.6212 ± 0.0006 Å
• b: 26.734 ± 0.002 Å
• c: 13.5996 ± 0.001 Å
• α: 90°
• β: 102.995 ± 0.001°
• γ: 90°
• Cell volume: 3054.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No