Information card for entry 4348377

Structure parameters

• Formula: C36 H44 Cd N4 O6
• Calculated formula: C36 H44 Cd N4 O6
• SMILES: [Cd]123(Oc4c(C[N]2(CC[N]3(Cc2c(O1)c(ccc2)c1c(O)cccc1)C)C)cccc4c1c(O)cccc1)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.
• Authors of publication: Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7676 - 7687
• a: 11.4735 ± 0.0003 Å
• b: 16.7897 ± 0.0005 Å
• c: 17.6792 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3405.66 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No