Information card for entry 1515551

Structure parameters

• Formula: C16 H27 Cu F6 N P S3
• Calculated formula: C16 H27 Cu F6 N P S3
• SMILES: c12c(cccc1)[NH]1CCC[S](CC)[Cu]31[S]2CCC[S]3CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: High-contrast Cu(I)-selective fluorescent probes based on synergistic electronic and conformational switching.
• Authors of publication: Chaudhry, Aneese F.; Mandal, Subrata; Hardcastle, Kenneth I.; Fahrni, Christoph J.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 1016 - 1024
• a: 15.503 ± 0.003 Å
• b: 13.996 ± 0.003 Å
• c: 10.645 ± 0.002 Å
• α: 90°
• β: 109.377 ± 0.003°
• γ: 90°
• Cell volume: 2178.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1615
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No