Information card for entry 4316667

Structure parameters

• Formula: C24 H28 Cu Er N5 O13
• Calculated formula: C24 H28 Cu Er N5 O13
• SMILES: [Er]123456([O]7[Cu]89[N]([C@@H]%10[C@H](CCCC%10)[N]8=Cc8cccc(c8[O]29)[O]3CC)=Cc2cccc(c72)[O]1CC)(ON(=[O]4)=O)(ON(=[O]6)=O)ON(=[O]5)=O.[Er]123456([O]7[Cu]89[N]([C@H]%10[C@@H](CCCC%10)[N]8=Cc8cccc(c8[O]29)[O]3CC)=Cc2cccc(c72)[O]1CC)(ON(=[O]4)=O)(ON(=[O]6)=O)ON(=[O]5)=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: 8.5644 ± 0.0005 Å
• b: 25.4504 ± 0.0012 Å
• c: 13.1553 ± 0.0007 Å
• α: 90°
• β: 100.185 ± 0.003°
• γ: 90°
• Cell volume: 2822.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.1126
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No