Information card for entry 4316088

Structure parameters

• Common name: 9H-fluorene-1,8-bis-Me-3,2-HOPO
• Formula: C29 H28 N4 O7 S
• Calculated formula: C29 H28 N4 O7 S
• SMILES: Cn1ccc(c(c1=O)O)C(=O)Nc1cccc2c1Cc1c(cccc21)NC(=O)c1c(c(=O)n(cc1)C)O.CS(C)=O
• Title of publication: Influence of Linker Geometry on Uranyl Complexation by Rigidly Linked Bis(3-hydroxy-N-methyl-pyridin-2-one)
• Authors of publication: Géza Szigethy; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6755 - 6765
• a: 10.9305 ± 0.0009 Å
• b: 20.7752 ± 0.0016 Å
• c: 12.9772 ± 0.001 Å
• α: 90°
• β: 114.494 ± 0.002°
• γ: 90°
• Cell volume: 2681.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No