Information card for entry 7109900

Structure parameters

• Formula: C27 H23 Cd N5 O6
• Calculated formula: C27 H23 Cd N5 O6
• SMILES: [Cd]1234(ON(=[O]1)=O)([O]=N(=O)O2)[n]1c(cccc1)C[N]3(Cc1[n]4cccc1)Cc1c2ccccc2cc2ccccc12
• Title of publication: Mechanism of chelation enhanced fluorescence in complexes of cadmium(II), and a possible new type of anion sensor
• Authors of publication: Joseph W. Nugent; Hyunjung Lee; Hee-Seung Lee; Joseph H. Reibenspies; Robert D. Hancock
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9749
• a: 13.613 ± 0.005 Å
• b: 11.143 ± 0.004 Å
• c: 16.466 ± 0.006 Å
• α: 90°
• β: 94.867 ± 0.009°
• γ: 90°
• Cell volume: 2488.7 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No