Information card for entry 7130894

Structure parameters

• Formula: C47 H68 B Mn N6 Na O9
• Calculated formula: C47 H68 B Mn N6 Na O9
• Title of publication: A Redox-active Manganate(0) Dicarbene Metalloradical
• Authors of publication: Karagiannis, Ageliki; Tyryshkin, Alexei M.; Lalancette, Roger A.; Spasyuk, Denis M.; Washington, Asmaa; Prokopchuk, Demyan E.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.5422 ± 0.0002 Å
• b: 25.4388 ± 0.0004 Å
• c: 28.3588 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9769.5 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No