Information card for entry 4072976

Structure parameters

• Formula: C27 H63 Na Si6 Zn
• Calculated formula: C27 H63 Na Si6 Zn
• SMILES: [Zn]12[C@H]([Si](C)(C)C)[CH]3=[CH]([Si](C)(C)C)[Na]453([CH](=[CH]4[Si](C)(C)C)[C@H]1[Si](C)(C)C)[CH]([C@H]2[Si](C)(C)C)=[CH]5[Si](C)(C)C.[Zn]12[C@@H]([Si](C)(C)C)[CH]3=[CH]([Si](C)(C)C)[Na]453([CH](=[CH]4[Si](C)(C)C)[C@@H]1[Si](C)(C)C)[CH]([C@@H]2[Si](C)(C)C)=[CH]5[Si](C)(C)C
• Title of publication: Threefold Cation−π Bonding in Trimethylsilylated Allyl Complexes
• Authors of publication: Gren, Cameron K.; Hanusa, Timothy P.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1643
• a: 12.1734 ± 0.0017 Å
• b: 12.7745 ± 0.0018 Å
• c: 13.9023 ± 0.0019 Å
• α: 80.647 ± 0.002°
• β: 71.666 ± 0.002°
• γ: 88.586 ± 0.002°
• Cell volume: 2024.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No