Information card for entry 4119920

Structure parameters

• Formula: C22 H15 Mn O2
• Calculated formula: C22 H15 Mn O2
• SMILES: [Mn]1234(C#[O])(C#[O])([cH]5[cH]4[cH]3[cH]2[cH]15)=C1C(=C1c1ccccc1)c1ccccc1
• Title of publication: Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes
• Authors of publication: Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8726 - 8734
• a: 12.0829 ± 0.0005 Å
• b: 9.4735 ± 0.0003 Å
• c: 15.2372 ± 0.0006 Å
• α: 90°
• β: 109.074 ± 0.002°
• γ: 90°
• Cell volume: 1648.4 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No