Information card for entry 4108147

Structure parameters

• Common name: 6-ZZ
• Formula: C26 H33 Co O8 S Si
• Calculated formula: C26 H33 Co O8 S Si
• SMILES: [CH]1(=[C]2(C([C]3(=[CH](C(=O)OC)[Co]4567123[cH]1[cH]4[cH]5[cH]6[cH]71)C(=O)OC)C(=O)OCC)[Si](C)(C)C)S(=O)(=O)c1ccccc1
• 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: 8.505 ± 0.0007 Å
• b: 22.626 ± 0.0018 Å
• c: 14.239 ± 0.0011 Å
• α: 90°
• β: 94.922 ± 0.001°
• γ: 90°
• Cell volume: 2730 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No