Information card for entry 4333669

Structure parameters

• Formula: C26 F16 N2 O2 S2 Zn
• Calculated formula: C26 F16 N2 O2 S2 Zn
• SMILES: c12c(c(c(c(c1c1[n](c3c(c(c(c(c3F)F)F)F)s1)[Zn]1([n]3c4c(c(c(c(c4sc3c3c(c(c(c(c3O1)F)F)F)F)F)F)F)F)O2)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: 7.7232 ± 0.0002 Å
• b: 11.8735 ± 0.0003 Å
• c: 13.91 ± 0.0004 Å
• α: 92.446 ± 0.001°
• β: 103.558 ± 0.001°
• γ: 93.918 ± 0.001°
• Cell volume: 1234.85 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No