Information card for entry 4110524

Structure parameters

• Formula: C18 H22 N2 Zn
• Calculated formula: C18 H22 N2 Zn
• SMILES: [Zn]1([n]2ccccc2c2[n]1cccc2)(C=C(C)C)C=C(C)C
• Title of publication: Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes
• Authors of publication: Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4624 - 4631
• a: 7.9204 ± 0.0007 Å
• b: 10.0335 ± 0.0009 Å
• c: 10.7203 ± 0.001 Å
• α: 92.69 ± 0.003°
• β: 103.533 ± 0.003°
• γ: 90.847 ± 0.002°
• Cell volume: 827.08 ± 0.13 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No