Information card for entry 2232578

Structure parameters

• Chemical name: Bis[methyl 3-(propylamino)but-2-enoato]zinc
• Formula: C16 H28 N2 O4 Zn
• Calculated formula: C16 H28 N2 O4 Zn
• SMILES: [Zn]12([O]=C(C=C(N1CCC)C)OC)[O]=C(C=C(N2CCC)C)OC
• Title of publication: Bis[methyl 3-(propylamino)but-2-enoato]zinc
• Authors of publication: Onakoya, Olamide O.; Johnson, Keneshia O.; Butcher, Raymond J.; Matthews, Jason S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1692
• a: 7.8087 ± 0.0005 Å
• b: 9.4353 ± 0.0006 Å
• c: 12.8788 ± 0.0011 Å
• α: 76.82 ± 0.003°
• β: 77.381 ± 0.003°
• γ: 83.413 ± 0.003°
• Cell volume: 899.46 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes