Information card for entry 4305209

Structure parameters

• Formula: C37 H38 Cl2 N2 O6 Zn
• Calculated formula: C37 H38 Cl2 N2 O6 Zn
• SMILES: [Zn]12(Oc3c(cc(cc3)c3ccc(OC)cc3)C3OCC([N]1=3)(C)C)Oc1ccc(cc1C1OCC([N]2=1)(C)C)c1ccc(OC)cc1.ClCCl
• 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: 7.5886 ± 0.0017 Å
• b: 13.137 ± 0.003 Å
• c: 19.121 ± 0.004 Å
• α: 76.161 ± 0.005°
• β: 80.499 ± 0.005°
• γ: 75.5 ± 0.004°
• Cell volume: 1780.7 ± 0.7 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No