Information card for entry 4306545

Structure parameters

• Formula: C24 H32 Cu N5 O15 Tb
• Calculated formula: C24 H32 Cu N5 O15 Tb
• SMILES: [Tb]123456([O](C)c9cccc%10c9[O]1[Cu]1([N](=C%10)CCCOC)[O]3c3c([O]2C)cccc3C=[N]1CCCOC)(ON(=[O]4)=O)([O]=N(O5)=O)[O]=N(O6)=O
• Title of publication: Coordination-Tuned Single-Molecule-Magnet Behavior of TbIII-CuII Dinuclear Systems
• Authors of publication: Takashi Kajiwara; Motohiro Nakano; Shinya Takaishi; Masahiro Yamashita
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8604 - 8606
• a: 20.1736 ± 0.0014 Å
• b: 13.6047 ± 0.001 Å
• c: 11.2873 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3097.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No