Information card for entry 4108148

Structure parameters

• Formula: C24 H27 Co N2 O4 S Si
• Calculated formula: C24 H27 Co N2 O4 S Si
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]1672345[CH](=[C]1(C([C]6(=[CH]7S(=O)(=O)c1ccccc1)[Si](C)(C)C)C(=O)OCC)C#N)C#N
• 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: 9.216 ± 0.0004 Å
• b: 11.216 ± 0.0005 Å
• c: 13.522 ± 0.0009 Å
• α: 101.39 ± 0.001°
• β: 101.14 ± 0.001°
• γ: 112.029 ± 0.001°
• Cell volume: 1213.98 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No