Information card for entry 7713052

Structure parameters

• Formula: C19.75 H16.5 Cl3.5 N5 O Zn
• Calculated formula: C19.75 H16.4529 Cl3.5 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: 10.6299 ± 0.0002 Å
• b: 13.3659 ± 0.0003 Å
• c: 17.2735 ± 0.0004 Å
• α: 106.512 ± 0.001°
• β: 100.97 ± 0.001°
• γ: 107.458 ± 0.001°
• Cell volume: 2140.29 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No