Information card for entry 4072501

Structure parameters

• Formula: C42 H36 Co P Si
• Calculated formula: C42 H36 Co P Si
• SMILES: [Co]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([Si](Cc6ccccc16)(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Synthesis of 4:5-Benzo-1-cobalta-2-silacyclopentenes and their Reactions with Alkynes and Alkenes: An Expedient Route to Silicon-Containing Polycyclic Frameworks
• Authors of publication: Agenet, Nicolas; Mirebeau, Jean-Hugues; Petit, Marc; Thouvenot, René; Gandon, Vincent; Malacria, Max; Aubert, Corinne
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 819
• a: 17.742 ± 0.005 Å
• b: 18.117 ± 0.009 Å
• c: 20.848 ± 0.012 Å
• α: 90°
• β: 99.46 ± 0.04°
• γ: 90°
• Cell volume: 6610 ± 5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.2233
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections: 0.1561
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1635
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No