Information card for entry 4316663

Structure parameters

• Formula: C24 H26 Cu N5 Nd O14
• Calculated formula: C24 H26 Cu N5 Nd O14
• SMILES: [Nd]123456([O]7[Cu]89[O]2c2c(C=[N]9C9=C(CCCC9)[N]8=Cc8c7c(ccc8)[O]1CC)cccc2[O]3CC)([O]=N(=O)O4)(ON(=O)=[O]5)(ON(=O)=[O]6)[OH2]
• 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: 14.5049 ± 0.0012 Å
• b: 14.1215 ± 0.0012 Å
• c: 15.6703 ± 0.0013 Å
• α: 90°
• β: 116.969 ± 0.002°
• γ: 90°
• Cell volume: 2860.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No