Information card for entry 4075557

Structure parameters

• Common name: iPrLZn2(OC(=CMe2)iPr)2 (2b)
• Formula: C42 H68 N4 O3 Zn2
• Calculated formula: C42 H68 N4 O3 Zn2
• SMILES: [Zn]123[O](C(=C(C)C)C(C)C)[Zn]4([O]1C(=C(C)C)C(C)C)N(c1c5oc6c(N2CC[N]3(C(C)C)C(C)C)cccc6c5ccc1)CC[N]4(C(C)C)C(C)C
• Title of publication: Structures of Zinc Ketone Enolates
• Authors of publication: Hlavinka, Mark L.; Hagadorn, John R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3501
• a: 18.6748 ± 0.0005 Å
• b: 13.3529 ± 0.0004 Å
• c: 16.9723 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4232.3 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No