Information card for entry 4111958

Structure parameters

• Formula: C36 H62 N3 Na O Zn
• Calculated formula: C36 H62 N3 Na O Zn
• SMILES: C(C)(C)(C)[Zn]([N]12C(CCCC1(C)C)(C)C)[O](C(=C1C=CC(C=C1)C(C)(C)C)c1ccccc1)[Na]12[N](C)(C)CC[N]1(C)(C)
• Title of publication: Trapping, Stabilization, and Characterization of an Enolate Anion of a 1,6-Adduct of Benzophenone Chelated by a Sodium Alkylamidozincate Cation
• Authors of publication: Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 13106 - 13107
• a: 20.2268 ± 0.0003 Å
• b: 20.8583 ± 0.0005 Å
• c: 19.3017 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8143.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No