Information card for entry 7047416

Structure parameters

• Formula: C2.07 H2.34 N0.69 O0.14
• Calculated formula: C2.06897 H2.34483 N0.689655 O0.137931
• Title of publication: Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions.
• Authors of publication: Kang, Yang; Liao, Zhuang; Wu, Min; Li, Sai; Fang, De-Cai; Zheng, Xiang-Jun; Jin, Lin-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13730 - 13738
• a: 9.3825 ± 0.0002 Å
• b: 7.1727 ± 0.0002 Å
• c: 21.551 ± 0.0005 Å
• α: 90°
• β: 90.853 ± 0.002°
• γ: 90°
• Cell volume: 1450.18 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No