Information card for entry 4333670

Structure parameters

• Formula: C26 H8 F8 N2 O2 S2 Zn
• Calculated formula: C26 H8 F8 N2 O2 S2 Zn
• SMILES: c12c(c(c(c(c1[n]1c(c3ccccc3O[Zn]31[n]1c4c(c(c(c(c4sc1c1ccccc1O3)F)F)F)F)s2)F)F)F)F
• Title of publication: Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands
• Authors of publication: Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1379 - 1387
• a: 7.35 ± 0.005 Å
• b: 25.035 ± 0.005 Å
• c: 12.638 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.733 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2284.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No