Information card for entry 7118166

Structure parameters

• Formula: C30 H49 B Fe N4 O2 Si2
• Calculated formula: C30 H49 B Fe N4 O2 Si2
• SMILES: [Si](C1[B](C=1[Si](C)(C)C)(=C1N(C=CN1C)C)=C1N(C=CN1C)C)(C)(C)C.[Fe]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])C#[O]
• Title of publication: Carbene-induced synthesis of the first borironium cations using the [(eta^5^-C5Me5)Fe(CO)2]^-^ anion as an unlikely leaving group
• Authors of publication: Holger Braunschweig; Rian D. Dewhurst; Katharina Ferkinghoff
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 183
• a: 16.807 ± 0.007 Å
• b: 12.849 ± 0.006 Å
• c: 17.795 ± 0.008 Å
• α: 90°
• β: 114.07 ± 0.006°
• γ: 90°
• Cell volume: 3509 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No