Information card for entry 4119119

Structure parameters

• Formula: C48 H54 Co2 O14 S2 Si2
• Calculated formula: C48 H54 Co2 O14 S2 Si2
• SMILES: [C@H]12[C@@H]([C@@H]3C(=C(S(=O)(=O)c4ccccc4)[Co]45672([cH]2[cH]7[cH]6[cH]5[cH]42)[O]=C3OCC)[Si](C)(C)C)C(=O)OC1=O.[C@@H]12[C@H]([C@H]3C(=C(S(=O)(=O)c4ccccc4)[Co]45672([cH]2[cH]4[cH]5[cH]6[cH]72)[O]=C3OCC)[Si](C)(C)C)C(=O)OC1=O
• 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: 8.293 ± 0.002 Å
• b: 16.275 ± 0.004 Å
• c: 19.621 ± 0.005 Å
• α: 73.484 ± 0.004°
• β: 81.053 ± 0.004°
• γ: 87.93 ± 0.004°
• Cell volume: 2508 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4108151
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No