Information card for entry 7106563

Structure parameters

• Formula: C52 H40 F12 O2 P4
• Calculated formula: C52 H40 F12 O2 P4
• SMILES: [P+](c1ccccc1)(Cc1c(cc2c(c1)C(=O)c1c(C2=O)cccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Receptor Design and Extraction of Inorganic Fluoride Ion From Aqueous Medium
• Authors of publication: Priyadip Das; Amal K. Mandal; Manoj K. Kesharwani; Eringathodi, Suresh; Bishwajit Ganguly; Amitava Das
• Journal of publication: Chem. Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7398
• a: 9.9019 ± 0.0007 Å
• b: 46.048 ± 0.003 Å
• c: 10.1448 ± 0.0008 Å
• α: 90°
• β: 92.684 ± 0.002°
• γ: 90°
• Cell volume: 4620.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2328
• Residual factor for significantly intense reflections: 0.178
• Weighted residual factors for significantly intense reflections: 0.2998
• Weighted residual factors for all reflections included in the refinement: 0.325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No