Information card for entry 7129190

Structure parameters

• Formula: C22 H14 B F4 Mn N2 O4
• Calculated formula: C22 H14 B F4 Mn N2 O4
• SMILES: [B](F)(F)(F)[F-].C12=[O][Mn]3([NH](c4ccc5cccc(C=C1)c5c24)Cc1cccc[n]31)(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: 10.7249 ± 0.0007 Å
• b: 14.4773 ± 0.0007 Å
• c: 13.6836 ± 0.0006 Å
• α: 90°
• β: 102.311 ± 0.005°
• γ: 90°
• Cell volume: 2075.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No