Information card for entry 4074824

Structure parameters

• Common name: Oct-Co(gH)(dpgH)Py
• Chemical name: trans-(glyoximato)(diphenylglyoximato)-octyl-(pyridine)-cobalt(III)
• Formula: C29 H36 Co N5 O4
• Calculated formula: C29 H36 Co N5 O4
• SMILES: [Co]12([N](=C(C(=N1=O)c1ccccc1)c1ccccc1)O)([n]1ccccc1)(N(=O)=CC=[N]2O)CCCCCCCC
• Title of publication: Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing
• Authors of publication: Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 706
• a: 11.076 ± 0.005 Å
• b: 12.299 ± 0.005 Å
• c: 12.299 ± 0.005 Å
• α: 80.697 ± 0.005°
• β: 71.207 ± 0.005°
• γ: 64.859 ± 0.005°
• Cell volume: 1435.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No