Information card for entry 4119126

Structure parameters

• Formula: C36 H84 Mg2 Si8
• Calculated formula: C36 H84 Mg2 Si8
• SMILES: [Mg]12([CH](=[CH]2[Si](C)(C)C)C([Si](C)(C)C)[Mg]2([CH](=[CH]2C1[Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)/C=C/[Si](C)(C)C)C([Si](C)(C)C)/C=C/[Si](C)(C)C
• Title of publication: Classical versus Bridged Allyl Ligands in Magnesium Complexes: The Role of Solvent
• Authors of publication: Chmely, Stephen C.; Carlson, Christin N.; Hanusa, Timothy P.; Rheingold, Arnold L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 18
• Pages of publication: 6344 - 6345
• a: 10.7597 ± 0.0002 Å
• b: 12.9099 ± 0.0002 Å
• c: 19.7051 ± 0.0003 Å
• α: 90°
• β: 100.165 ± 0.001°
• γ: 90°
• Cell volume: 2694.21 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 4104347
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No