Information card for entry 7121912

Structure parameters

• Formula: C36 H49 Cl Co N5
• Calculated formula: C36 H49 Cl Co N5
• Title of publication: A highly active diradical cobalt(iii) catalyst for the cycloisomerization of alkynoic acids.
• Authors of publication: Leconte, Nicolas; du Moulinet d'Hardemare, Amaury; Philouze, Christian; Thomas, Fabrice
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8241 - 8244
• a: 14.519 ± 0.003 Å
• b: 16.983 ± 0.003 Å
• c: 14.819 ± 0.003 Å
• α: 90°
• β: 108.83 ± 0.03°
• γ: 90°
• Cell volume: 3458.5 ± 1.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No