Information card for entry 4119919

Structure parameters

• Formula: C17 H19 Mn O2
• Calculated formula: C17 H19 Mn O2
• SMILES: [Mn]1234(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)=C1C2CC3CC1CC(C2)C3
• 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: 6.7387 ± 0.0013 Å
• b: 9.5344 ± 0.0019 Å
• c: 12.317 ± 0.003 Å
• α: 104.2 ± 0.04°
• β: 102.87 ± 0.03°
• γ: 104.9 ± 0.03°
• Cell volume: 706 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No