Information card for entry 7709736

Structure parameters

• Formula: C165 H169 B3 Co3 F12 N7 O2.5 P9 S6
• Calculated formula: C157 H157 B3 Co3 F12 N3 O2.5 P9 S6
• Title of publication: Electronically-Coupled Redox Centers in Trimetallic Cobalt Complexes
• Authors of publication: Intrator, Jeremy A.; Orchanian, Nicholas M.; Clough, Andrew J.; Haiges, Ralf; Marinescu, Smaranda C.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 20.285 ± 0.003 Å
• b: 21.478 ± 0.003 Å
• c: 21.698 ± 0.003 Å
• α: 62.702 ± 0.004°
• β: 87.142 ± 0.005°
• γ: 71.516 ± 0.005°
• Cell volume: 7916 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No