Information card for entry 4305210

Structure parameters

• Formula: C34 H28 F4 N2 O4 Zn
• Calculated formula: C34 H28 F4 N2 O4 Zn
• SMILES: c12c(ccc(c1)c1ccc(cc1F)F)O[Zn]1([N]3=C2OCC3(C)C)[N]2=C(c3c(ccc(c3)c3c(cc(F)cc3)F)O1)OCC2(C)C
• Title of publication: Generation of Blue Light-Emitting Zinc Complexes by Band-Gap Control of the Oxazolylphenolate Ligand System: Syntheses, Characterizations, and Organic Light Emitting Device Applications of 4-Coordinated Bis(2-oxazolylphenolate) Zinc(II) Complexes
• Authors of publication: Ho-Jin Son; Won-Sik Han; Ji-Yun Chun; Byoung-Kook Kang; Soon-Nam Kwon; Jaejung Ko; Su Jung Han; Chongmok Lee; Sung Joo Kim; Sang Ook Kang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5666 - 5676
• a: 15.2442 ± 0.0016 Å
• b: 6.6431 ± 0.0007 Å
• c: 15.1095 ± 0.0016 Å
• α: 90°
• β: 103.071 ± 0.002°
• γ: 90°
• Cell volume: 1490.5 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No