Information card for entry 1564434

Structure parameters

• Formula: C18 H13 Cl2 N3 Zn
• Calculated formula: C18 H13 Cl2 N3 Zn
• SMILES: [Zn]1([n]2c(cccc2)c2[n]1c(n1c2cccc1)c1ccccc1)(Cl)Cl
• Title of publication: Blue fluorescent zinc(II) complexes based on tunable imidazo[1,5-a]pyridines
• Authors of publication: Volpi, Giorgio; Priola, Emanuele; Garino, Claudio; Daolio, Andrea; Rabezzana, Roberto; Benzi, Paola; Giordana, Alessia; Diana, Eliano; Gobetto, Roberto
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119662
• a: 8.8557 ± 0.0003 Å
• b: 11.8069 ± 0.0005 Å
• c: 16.8833 ± 0.0008 Å
• α: 90°
• β: 100.34 ± 0.004°
• γ: 90°
• Cell volume: 1736.62 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No