Information card for entry 4115167

Structure parameters

• Formula: C53 H47 B Co O2 P3
• Calculated formula: C53 H47 B Co O2 P3
• SMILES: [Co]12([P](C[B](C[P]2(c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].c1ccccc1
• Title of publication: Oxidative Group Transfer to Co(I) Affords a Terminal Co(III) Imido Complex
• Authors of publication: David M. Jenkins; Theodore A. Betley; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 11238 - 11239
• a: 37.276 ± 0.005 Å
• b: 37.276 ± 0.005 Å
• c: 12.423 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17262 ± 4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1815
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.348
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No