Information card for entry 7010834

Structure parameters

• Formula: C32 H32 N2 O4 Zn
• Calculated formula: C32 H32 N2 O4 Zn
• SMILES: c12ccc(cc1C=[N]([C@H](C)c1ccccc1)[Zn]1(O2)[N](=Cc2c(ccc(c2)OC)O1)[C@H](C)c1ccccc1)OC
• 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: 17.5693 ± 0.0017 Å
• b: 8.758 ± 0.0008 Å
• c: 11.9812 ± 0.0011 Å
• α: 90°
• β: 130.283 ± 0.001°
• γ: 90°
• Cell volume: 1406.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.657
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No