Information card for entry 7119936

Structure parameters

• Formula: C152 H172 Co4 F24 N32 O5 P4
• Calculated formula: C152 H172 Co4 F24 N32 O5 P4
• Title of publication: A macrocyclic ‛Co0’ complex: the relevance of ligand non-innocence to reactivity
• Authors of publication: Kaspar, Manuel; Altmann, Philipp Johannes; Pöthig, Alexander; Sproules, Stephen; Hess, Corinna R.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 71.25 ± 0.03 Å
• b: 10.283 ± 0.004 Å
• c: 20.132 ± 0.008 Å
• α: 90°
• β: 91.821 ± 0.003°
• γ: 90°
• Cell volume: 14743 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No