Information card for entry 7153156

Structure parameters

• Formula: C72 H60 Cl8 Cu4 N12 O14
• Calculated formula: C72 H60 Cl6 Cu4 N12 O6
• SMILES: C1C[N]23CC[N]45CC[N]61Cc1cc(c7ccc[n]8c7c1O[Cu]178[n]8cccc9c(cc%10c(c89)O[Cu]89%11[N]%12(CC[N]8(CC[N]9(CC%12)Cc8cc(c9ccc[n]1c9c8[O]7%11)Cl)C%10)Cc1cc(c7ccc[n]8c7c1O[Cu]1798[n]8cccc%10c(cc(C2)c(c8%10)[O]7[Cu]356[O]9c2c(C4)cc(c3ccc[n]1c23)Cl)Cl)Cl)Cl)Cl
• Title of publication: An OFF-ON chemosensor for biological and environmental applications: sensing Cd(2+) in water using catanionic vesicles and in living cells.
• Authors of publication: Bencini, Andrea; Caddeo, Francesco; Caltagirone, Claudia; Garau, Alessandra; Hurstouse, Mike B.; Isaia, Francesco; Lampis, Sandrina; Lippolis, Vito; Lopez, Francesco; Meli, Valeria; Monduzzi, Maura; Mostallino, Maria Cristina; Murgia, Sergio; Puccioni, Stefano; Schmidt, Judith; Secci, Pietro Paolo; Talmon, Yeshayahu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 44
• Pages of publication: 7751 - 7759
• a: 61.2255 ± 0.0018 Å
• b: 14.4227 ± 0.0004 Å
• c: 21.9788 ± 0.0007 Å
• α: 90°
• β: 105.993 ± 0.001°
• γ: 90°
• Cell volume: 18656.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No