Information card for entry 7010832

Structure parameters

• Formula: C30 H26 N4 O6 Zn
• Calculated formula: C30 H26 N4 O6 Zn
• SMILES: [Zn]12(Oc3ccc(N(=O)=O)cc3C=[N]1[C@H](C)c1ccccc1)Oc1ccc(N(=O)=O)cc1C=[N]2[C@H](C)c1ccccc1
• Title of publication: New Schiff base zinc(II) complexes exhibiting second harmonic generation
• Authors of publication: Cara Evans; Dominique Luneau
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 83 - 86
• a: 15.4512 ± 0.0008 Å
• b: 10.1073 ± 0.0005 Å
• c: 18.0725 ± 0.0009 Å
• α: 90°
• β: 90.541 ± 0.001°
• γ: 90°
• Cell volume: 2822.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.614
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No