Information card for entry 4340909

Structure parameters

• Formula: C27 H23 N5 O6 Pb
• Calculated formula: C27 H23 N5 O6 Pb
• SMILES: [Pb]12(ON(=O)=O)(ON(=O)=O)[n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1c2ccccc2cc2ccccc12
• Title of publication: The Effect of π Contacts between Metal Ions and Fluorophores on the Fluorescence of PET Sensors: Implications for Sensor Design for Cations and Anions.
• Authors of publication: Nugent, Joseph W.; Lee, Hyunjung; Lee, Hee-Seung; Reibenspies, Joseph H.; Hancock, Robert D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9014 - 9026
• a: 10.4892 ± 0.0016 Å
• b: 15.84 ± 0.003 Å
• c: 16.031 ± 0.005 Å
• α: 90°
• β: 109.07 ± 0.012°
• γ: 90°
• Cell volume: 2517.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No