Information card for entry 4316671

Structure parameters

• Formula: C51 H62 Gd2 N10 Ni2 O27
• Calculated formula: C51 H62 Gd2 N10 Ni2 O27
• SMILES: [Gd]123456([O]7[Ni]89[N](=Cc%10c7c(ccc%10)[O]2CC)[C@H]2CCCC[C@@H]2[N]8=Cc2cccc(c2[O]19)[O]3CC)(ON(=[O]4)=O)([O]=N(=O)O5)ON(=[O]6)=O.[Gd]123456([O]7[Ni]89[N](=Cc%10c7c(ccc%10)[O]2CC)[C@@H]2CCCC[C@H]2[N]8=Cc2cccc(c2[O]19)[O]3CC)(ON(=[O]4)=O)([O]=N(=O)O5)ON(=[O]6)=O.CC(=O)C
• 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: 16.458 ± 0.004 Å
• b: 24.41 ± 0.006 Å
• c: 15.984 ± 0.004 Å
• α: 90°
• β: 108.804 ± 0.008°
• γ: 90°
• Cell volume: 6079 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No