Information card for entry 7717655

Structure parameters

• Formula: C18 H28 Cl2 Cu N5 O8.5
• Calculated formula: C18 H27 Cl2 Cu N5 O8.5
• Title of publication: Selective binding and fluorescence sensing of Zn(II)/Cd(II) using macrocyclic tetra-amines with different fluorophores: insights into the design of selective chemosensors for transition metals.
• Authors of publication: Romano, Giammarco Maria; Simonini Steiner, Yschtar Tecla; Bartoli, Francesco; Conti, Luca; Macedi, Eleonora; Bazzicalupi, Carla; Rossi, Patrizia; Paoli, Paola; Innocenti, Massimo; Bencini, Andrea; Savastano, Matteo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1689 - 1702
• a: 17.3117 ± 0.0003 Å
• b: 17.3117 ± 0.0003 Å
• c: 31.2201 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9356.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No