Information card for entry 7152232

Structure parameters

• Formula: C49 H41 Cl3 F12 P4
• Calculated formula: C49 H41 Cl3 F12 P4
• SMILES: [P+](Cc1c(cc2c(cccc2)c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site().
• Authors of publication: Das, Priyadip; Kesharwani, Manoj K.; Mandal, Amal K.; Suresh, Eringathodi; Ganguly, Bishwajit; Das, Amitava
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2263 - 2271
• a: 20.4538 ± 0.0012 Å
• b: 25.3853 ± 0.0015 Å
• c: 19.2348 ± 0.0012 Å
• α: 90°
• β: 90.229 ± 0.001°
• γ: 90°
• Cell volume: 9987.1 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.209
• Residual factor for significantly intense reflections: 0.1336
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No