Information card for entry 2007706

Structure parameters

• Chemical name: 3,3'-[Ethanediylbis(aminomethylene)]bis(pentane-2,4-dione)
• Formula: C14 H20 N2 O4
• Calculated formula: C14 H20 N2 O4
• SMILES: CC(=O)C(=CNCCNC=C(C(=O)C)C(=O)C)C(=O)C
• Title of publication: 3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product
• Authors of publication: König, Burkhard; Pelka, Mario; Dix, Ina; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1468 - 1471
• a: 13.756 ± 0.002 Å
• b: 8.9663 ± 0.0014 Å
• c: 11.6831 ± 0.0018 Å
• α: 90°
• β: 99.828 ± 0.01°
• γ: 90°
• Cell volume: 1419.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for all reflections: 0.909
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No