Information card for entry 4072975

Structure parameters

• Formula: C27 H63 Li Si6 Zn
• Calculated formula: C27 H63 Si6 Zn1.1
• SMILES: [Zn]([C@@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)([C@@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)[C@@H]([Si](C)(C)C)/C=C/[Si](C)(C)C.[Zn]([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)([C@H]([Si](C)(C)C)/C=C/[Si](C)(C)C)[C@H]([Si](C)(C)C)/C=C/[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: 12.2863 ± 0.0006 Å
• b: 12.5849 ± 0.0007 Å
• c: 13.8068 ± 0.0007 Å
• α: 81.131 ± 0.001°
• β: 71.081 ± 0.001°
• γ: 88.542 ± 0.001°
• Cell volume: 1994.67 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No