Information card for entry 7713048

Structure parameters

• Formula: C19 H15 I2 N5 O Zn
• Calculated formula: C19 H15 I2 N5 O Zn
• Title of publication: Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety
• Authors of publication: Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.0224 ± 0.0011 Å
• b: 18.493 ± 0.002 Å
• c: 11.1411 ± 0.0011 Å
• α: 90°
• β: 100.797 ± 0.004°
• γ: 90°
• Cell volume: 2028.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No