Information card for entry 1564437

Structure parameters

• Formula: C22 H21 Cl2 N3 Zn
• Calculated formula: C22 H21 Cl2 N3 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(c3n(c2c2ccc(cc2)C(C)(C)C)cccc3)c2[n]1cccc2
• 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: 8.5516 ± 0.0012 Å
• b: 9.3088 ± 0.0013 Å
• c: 13.5809 ± 0.0018 Å
• α: 93.575 ± 0.011°
• β: 95.753 ± 0.011°
• γ: 104.808 ± 0.012°
• Cell volume: 1035.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2636
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No