Information card for entry 4340910

Structure parameters

• Formula: C27 H23 N5 O6 Pd
• Calculated formula: C27 H23 N5 O6 Pd
• SMILES: [Pd]12(ON(=O)=O)[n]3c(cccc3)C[N]1(Cc1[n]2cccc1)Cc1c2ccccc2cc2ccccc12.O=N(=O)[O-]
• 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: 7.5393 ± 0.0003 Å
• b: 10.1956 ± 0.0004 Å
• c: 16.2874 ± 0.0006 Å
• α: 84.04 ± 0.003°
• β: 81.944 ± 0.003°
• γ: 75.147 ± 0.003°
• Cell volume: 1195.18 ± 0.08 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No