Information card for entry 4348376

Structure parameters

• Formula: C32 H38 N2 Ni O6
• Calculated formula: C32 H38 N2 Ni O6
• SMILES: c12c(cccc2C[N]2([Ni]3(O1)([N](Cc1c(c(ccc1)c1c(O)cccc1)O3)(CC2)C)([OH]C)[OH]C)C)c1c(O)cccc1
• 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: 19.941 ± 0.001 Å
• b: 13.06 ± 0.0005 Å
• c: 12.834 ± 0.007 Å
• α: 90°
• β: 115.199 ± 0.007°
• γ: 90°
• Cell volume: 3024.3 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No