Information card for entry 7010833

Structure parameters

• Formula: C30 H24 Cl4 N2 O2 Zn
• Calculated formula: C30 H24 Cl4 N2 O2 Zn
• SMILES: [C@@H](C)(c1ccccc1)[N]1[Zn]2([N](=Cc3c(c(cc(c3)Cl)Cl)O2)[C@H](C)c2ccccc2)Oc2c(cc(cc2C=1)Cl)Cl
• 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: 13.928 ± 0.002 Å
• b: 10.9494 ± 0.0019 Å
• c: 10.2078 ± 0.0018 Å
• α: 90°
• β: 118.246 ± 0.003°
• γ: 90°
• Cell volume: 1371.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.514
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No