Information card for entry 7023359

Structure parameters

• Formula: C20 H24 Br Cl2 N3 O Zn
• Calculated formula: C20 H24 Br Cl2 N3 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Br)cc2)C=[N]1c1ccc(cc1)C#N.[NH+](CC)(CC)CC
• Title of publication: Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.
• Authors of publication: Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15169 - 15182
• a: 7.786 ± 0.002 Å
• b: 12.174 ± 0.003 Å
• c: 23.664 ± 0.006 Å
• α: 90°
• β: 95.371 ± 0.011°
• γ: 90°
• Cell volume: 2233.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No