Information card for entry 4346613

Structure parameters

• Formula: C24 H23 N5 O10 Pb
• Calculated formula: C24 H23 N5 O10 Pb
• SMILES: [Pb]12(ON(=O)=O)(ON(=O)=O)[n]3c(cccc3)C[N]1(Cc1[n]2cccc1)Cc1cc(=O)oc2cc(OC)c(OC)cc12
• Title of publication: Controlling the Fluorescence Response of PET Sensors via the Metal-Ion π-Contacting Ability of the Fluorophore: Coumarin, a Weaker π Contacter.
• Authors of publication: Nugent, Joseph W.; Reibenspies, Joseph H.; Hancock, Robert D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9976 - 9988
• a: 10.946 ± 0.0003 Å
• b: 28.8405 ± 0.0007 Å
• c: 8.743 ± 0.0002 Å
• α: 90°
• β: 109.211 ± 0.001°
• γ: 90°
• Cell volume: 2606.36 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0341
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No