Information card for entry 7717660

Structure parameters

• Formula: C28 H35 Cl2 N6 O8.5 Zn
• Calculated formula: C28 H34 Cl2 N6 O8.504 Zn
• 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: 10.5259 ± 0.0004 Å
• b: 17.3495 ± 0.0006 Å
• c: 16.8877 ± 0.0006 Å
• α: 90°
• β: 96.977 ± 0.003°
• γ: 90°
• Cell volume: 3061.18 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0842
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No