Information card for entry 1565034

Structure parameters

• Formula: C36 H44 Cl2 N4 O8 Pb
• Calculated formula: C36 H44 Cl2 N4 O8 Pb
• SMILES: [Pb]123[N]4(CC[N]3(CC[N]2(CC[N]1(CC4)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 10.1622 ± 0.0004 Å
• b: 18.9273 ± 0.0007 Å
• c: 19.6809 ± 0.0007 Å
• α: 90°
• β: 91.106 ± 0.002°
• γ: 90°
• Cell volume: 3784.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No