Information card for entry 7023360

Structure parameters

• Formula: C21 H27 Cl2 N3 O2 Zn
• Calculated formula: C21 H27 Cl2 N3 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(OC)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: 46.342 ± 0.005 Å
• b: 7.119 ± 0.0008 Å
• c: 27.418 ± 0.003 Å
• α: 90°
• β: 91.348 ± 0.005°
• γ: 90°
• Cell volume: 9042.9 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1191
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.3045
• Weighted residual factors for all reflections included in the refinement: 0.3087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No