Information card for entry 4119921

Structure parameters

• Formula: C24 H36 B Mn N2 O2
• Calculated formula: C24 H36 B Mn N2 O2
• SMILES: [Mn]1234(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)=C12B(N1C1CCCCC1)(N2C1CCCCC1)C(C)(C)C
• 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: 13.9003 ± 0.0009 Å
• b: 9.3315 ± 0.0005 Å
• c: 19.1191 ± 0.001 Å
• α: 90°
• β: 110.082 ± 0.003°
• γ: 90°
• Cell volume: 2329.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No