Information card for entry 4108146

Structure parameters

• Common name: rlh2044
• Formula: C26 H33 Co O8 S Si
• Calculated formula: C26 H33 Co O8 S Si
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]1672345[CH](C(=O)OC)=[C]1(C([C]6(=[CH]7S(=O)(=O)c1ccccc1)[Si](C)(C)C)C(=O)OCC)C(=O)OC
• 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: 15.359 ± 0.003 Å
• b: 12.065 ± 0.002 Å
• c: 14.452 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2678 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No