Information card for entry 7129189

Structure parameters

• Formula: C22 H14 Br Mn N2 O4
• Calculated formula: C22 H14 Br Mn N2 O4
• SMILES: Br[Mn]1([n]2c(C[NH]1c1ccc3cccc4C=CC(=O)c1c34)cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Redox-active Ligand Based Mn(I)-Catalyst for Hydrosilylative Ester Reduction
• Authors of publication: Mandal, Swadhin K.; Chakraborty, Soumi; Das, Arpan
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.943 ± 0.0003 Å
• b: 12.3084 ± 0.0003 Å
• c: 17.5419 ± 0.0004 Å
• α: 90°
• β: 94.232 ± 0.002°
• γ: 90°
• Cell volume: 2356.29 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No