Information card for entry 4115166

Structure parameters

• Formula: C58 H51 B Co N2 P3
• Calculated formula: C58 H51 B Co N2 P3
• SMILES: [Co]12([P](c3ccccc3)(c3ccccc3)C[B](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)[N]#N=C(c1ccccc1)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: 13.1284 ± 0.0008 Å
• b: 16.5975 ± 0.0011 Å
• c: 21.8205 ± 0.0014 Å
• α: 90°
• β: 97.168 ± 0.001°
• γ: 90°
• Cell volume: 4717.5 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.572
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No