Information card for entry 4333673

Structure parameters

• Formula: C20 H10 F6 N2 O2 S2 Zn
• Calculated formula: C20 H10 F6 N2 O2 S2 Zn
• SMILES: c12C=C(C(F)(F)F)O[Zn]3([n]1c1c(cccc1)s2)[n]1c(C=C(C(F)(F)F)O3)sc2c1cccc2
• 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: 7.7002 ± 0.0002 Å
• b: 11.0829 ± 0.0003 Å
• c: 12.3763 ± 0.0004 Å
• α: 75.809 ± 0.001°
• β: 79.705 ± 0.002°
• γ: 82.847 ± 0.002°
• Cell volume: 1003.87 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No