Information card for entry 4333672

Structure parameters

• Formula: C26 H8 F8 N2 O2 S2 Zn
• Calculated formula: C26 H8 F8 N2 O2 S2 Zn
• SMILES: c12ccccc1sc1c3c(c(c(c(c3F)F)F)F)O[Zn]3([n]21)[n]1c2ccccc2sc1c1c(c(c(c(c1F)F)F)F)O3
• 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: 12.6004 ± 0.0004 Å
• b: 24.1084 ± 0.0008 Å
• c: 7.564 ± 0.0003 Å
• α: 90°
• β: 97.393 ± 0.002°
• γ: 90°
• Cell volume: 2278.66 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No