Information card for entry 1565032

Structure parameters

• Formula: C38 H47 Cd Cl2 N5 O8
• Calculated formula: C38 H47 Cd Cl2 N5 O8
• Title of publication: Exciplex formation as an approach to selective Copper(II) fluorescent sensors
• Authors of publication: Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119544
• a: 12.8274 ± 0.0003 Å
• b: 13.1823 ± 0.0003 Å
• c: 23.1202 ± 0.0005 Å
• α: 90°
• β: 101.326 ± 0.001°
• γ: 90°
• Cell volume: 3833.37 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No