Information card for entry 4118055

Structure parameters

• Formula: C38 H40 O2 Zn2
• Calculated formula: C38 H40 O2 Zn2
• SMILES: C(C=C)[Zn]1[O](C(CC=C)(c2ccccc2)c2ccccc2)[Zn](CC=C)[O]1C(CC=C)(c1ccccc1)c1ccccc1
• Title of publication: Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination
• Authors of publication: Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9805 - 9811
• a: 12.555 ± 0.003 Å
• b: 12.872 ± 0.003 Å
• c: 19.641 ± 0.004 Å
• α: 90°
• β: 92.52 ± 0.003°
• γ: 90°
• Cell volume: 3171.1 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No