Information card for entry 7106950

Structure parameters

• Formula: C17 H23 Mn N2 O2
• Calculated formula: C17 H23 Mn N2 O2
• SMILES: [Mn]1234(C#[O])(C#[O])(=C5N(C(=C(N5CC)C)C)CC)[cH]5[c]4([cH]3[cH]2[cH]15)C
• Title of publication: Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese
• Authors of publication: Madeeha Batool; Thomas Martin; Abu Naser; Michael W.George; Stuart Macgregor; Mary Mahon; Michael K. Whittlesey
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11225
• a: 13.292 ± 0.0002 Å
• b: 9.068 ± 0.0002 Å
• c: 14.095 ± 0.0003 Å
• α: 90°
• β: 97.209 ± 0.001°
• γ: 90°
• Cell volume: 1685.47 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No