Information card for entry 1546353

Structure parameters

• Formula: C18 H14 Mn2 N4 O6
• Calculated formula: C18 H14 Mn2 N4 O6
• SMILES: [Mn]12([NH]([Mn]3([NH]2Cc2[n]3cccc2)(C#[O])(C#[O])C#[O])Cc2[n]1cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Transfer Hydrogenation of Carbonyl Derivatives Catalyzed by an Inexpensive Phosphine-Free Manganese Precatalyst.
• Authors of publication: Bruneau-Voisine, Antoine; Wang, Ding; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Sortais, Jean-Baptiste
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3656 - 3659
• a: 7.2912 ± 0.0009 Å
• b: 8.1947 ± 0.001 Å
• c: 9.5912 ± 0.0011 Å
• α: 106.422 ± 0.003°
• β: 100.106 ± 0.004°
• γ: 113.184 ± 0.003°
• Cell volume: 477.83 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.028
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No