Information card for entry 7132960

Structure parameters

• Formula: C14 H8 Mn N O4
• Calculated formula: C14 H8 Mn N O4
• SMILES: [Mn]1([n]2c3c(cccc3ccc2)C1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Manganese(I)-catalyzed nucleophilic addition of C(sp³)-H bonds to aldehydes.
• Authors of publication: Liu, Hongxin; Tang, Tingyu; Li, Bin; Wang, Baiquan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 38
• Pages of publication: 5066 - 5069
• a: 7.631 ± 0.00018 Å
• b: 8.00772 ± 0.00017 Å
• c: 20.9823 ± 0.0005 Å
• α: 90°
• β: 98.411 ± 0.002°
• γ: 90°
• Cell volume: 1268.37 ± 0.05 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0404
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No