Information card for entry 7717661

Structure parameters

• Formula: C28 H36 Cd Cl2 N6 O9
• Calculated formula: C28 H36 Cd Cl2 N6 O9.004
• 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: 8.4798 ± 0.0002 Å
• b: 16.0482 ± 0.0004 Å
• c: 23.2856 ± 0.0006 Å
• α: 90°
• β: 90.338 ± 0.002°
• γ: 90°
• Cell volume: 3168.78 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0695
• 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: Yes
• Has Fobs: No