Information card for entry 4333671

Structure parameters

• Formula: C20 H2 F14 N2 O2 S2 Zn
• Calculated formula: C20 H2 F14 N2 O2 S2 Zn
• SMILES: c12C=C(C(F)(F)F)O[Zn]3([n]1c1c(c(c(c(c1F)F)F)F)s2)[n]1c(C=C(C(F)(F)F)O3)sc2c1c(c(c(c2F)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: 10.6956 ± 0.0014 Å
• b: 11.254 ± 0.002 Å
• c: 19.077 ± 0.003 Å
• α: 90°
• β: 103.523 ± 0.009°
• γ: 90°
• Cell volume: 2232.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1312
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No