Information card for entry 4114419

Structure parameters

• Formula: C26 H16 N2 O2 S2 Zn
• Calculated formula: C26 H16 N2 O2 S2 Zn
• Title of publication: Structures, Electronic States, and Electroluminescent Properties of a Zinc(II) 2-(2-Hydroxyphenyl)benzothiazolate Complex
• Authors of publication: Gui Yu; Shiwei Yin; Yunqi Liu; Zhigang Shuai; Daoben Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14816 - 14824
• a: 9.489 ± 0.0019 Å
• b: 9.5687 ± 0.0019 Å
• c: 11.685 ± 0.002 Å
• α: 84.38 ± 0.03°
• β: 78.94 ± 0.03°
• γ: 83.32 ± 0.03°
• Cell volume: 1031.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No