Information card for entry 1571534

Structure parameters

• Formula: C24 H15 Mn2 N O11
• Calculated formula: C24 H15 Mn2 N O11
• SMILES: [Mn]([Mn]([NH]=C(c1ccc(OC)cc1)c1ccc(OC)cc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The importance of understanding (pre)catalyst activation in versatile C-H bond functionalisations catalysed by [Mn₂(CO)₁₀].
• Authors of publication: Eastwood, Jonathan B.; Burden, Thomas J.; Hammarback, L. Anders; Horbaczewskyj, Chris; Tanner, Theo F. N.; Clark, Ian P.; Greetham, Gregory; Towrie, Michael; Fairlamb, Ian J. S.; Lynam, Jason M.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9183 - 9191
• a: 9.0789 ± 0.0005 Å
• b: 11.2974 ± 0.0008 Å
• c: 12.713 ± 0.0008 Å
• α: 110.2 ± 0.006°
• β: 94.41 ± 0.005°
• γ: 92.531 ± 0.005°
• Cell volume: 1216.63 ± 0.14 ų
• Cell temperature: 110 ± 0.14 K
• Ambient diffraction temperature: 110 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No