Information card for entry 4316672

Structure parameters

• Formula: C24 H30 N2 Ni O5
• Calculated formula: C24 H30 N2 Ni O5
• SMILES: [C@H]12[C@H](CCCC1)[N]1=Cc3c(c(ccc3)OCC)O[Ni]31[N]2=Cc1cccc(c1O3)OCC.O
• Title of publication: Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged CuIILnIII and NiII(Low-Spin)LnIII Compounds Derived from a Compartmental Ligand (Ln = Ce-Yb)
• Authors of publication: Arpita Jana; Samit Majumder; Luca Carrella; Malabika Nayak; Thomas Weyhermueller; Supriya Dutta; Dieter Schollmeyer; Eva Rentschler; Rajesh Koner; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9012 - 9025
• a: 12.737 ± 0.007 Å
• b: 10.61 ± 0.005 Å
• c: 17.688 ± 0.009 Å
• α: 90°
• β: 109.88 ± 0.006°
• γ: 90°
• Cell volume: 2248 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No