Information card for entry 4108149

Structure parameters

• Common name: 8-ZE
• Formula: C26 H32 Co N O6 S Si
• Calculated formula: C26 H32 Co N O6 S Si
• SMILES: C(C)OC(=O)[C]12C([C]3(=[CH](S(=O)(=O)c4ccccc4)[Co]456723([CH]=1C#N)[cH]1[cH]4[cH]5[cH]6[cH]71)[Si](C)(C)C)C(=O)OCC
• Title of publication: Reactions of a Metallacyclobutene Complex with Alkenes
• Authors of publication: Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 31
• Pages of publication: 10093 - 10095
• a: 14.884 ± 0.002 Å
• b: 11.4118 ± 0.0018 Å
• c: 15.75 ± 0.002 Å
• α: 90°
• β: 98.671 ± 0.002°
• γ: 90°
• Cell volume: 2644.6 ± 0.6 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No