Information card for entry 4345508

Structure parameters

• Formula: C18 H8 Mn N2 O8 Re
• Calculated formula: C18 H8 Mn N2 O8 Re
• SMILES: C(#[O])[Re](C#[O])(C#[O])(C#[O])(C#[O])[Mn]1(C#[O])(C#[O])(C#[O])[n]2ccccc2c2cccc[n]12
• Title of publication: Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes
• Authors of publication: Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 9.0583 ± 0.0005 Å
• b: 13.878 ± 0.0008 Å
• c: 45.661 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5740.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No