Information card for entry 4348379

Structure parameters

• Formula: C33 H37 N3 O5 Pd
• Calculated formula: C33 H37 N3 O5 Pd
• SMILES: [Pd]123Oc4c(C[N]2(CC[N]3(Cc2c(O1)c(ccc2)c1c(O)cccc1)C)C)cccc4c1c(O)cccc1.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: 10.7317 ± 0.0006 Å
• b: 11.6234 ± 0.0005 Å
• c: 24.0265 ± 0.0013 Å
• α: 90°
• β: 102.803 ± 0.005°
• γ: 90°
• Cell volume: 2922.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No