Information card for entry 4076376

Structure parameters

• Formula: C17 H41 Co N O3 P3
• Calculated formula: C17 H41 Co N O3 P3
• SMILES: [Co]12([P](OC)(OC)OC)([P](C)(C)C)([P](C)(C)C)[CH2]=[CH]1C2/C=N/C(C)(C)C
• Title of publication: Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)
• Authors of publication: Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2219
• a: 8.9084 ± 0.0006 Å
• b: 13.487 ± 0.001 Å
• c: 20.1294 ± 0.0014 Å
• α: 90°
• β: 92.407 ± 0.003°
• γ: 90°
• Cell volume: 2416.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No