Information card for entry 4345509

Structure parameters

• Formula: C20 H8 Mn N2 O8 Re
• Calculated formula: C20 H8 Mn N2 O8 Re
• SMILES: C([Mn]1(C#[O])(C#[O])([n]2cccc3ccc4ccc[n]1c4c23)[Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])#[O]
• 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: 9.6988 ± 0.0009 Å
• b: 11.1599 ± 0.001 Å
• c: 18.8156 ± 0.0016 Å
• α: 88.928 ± 0.002°
• β: 84.634 ± 0.003°
• γ: 74.441 ± 0.002°
• Cell volume: 1953.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No