Information card for entry 7050474

Structure parameters

• Formula: C84 H68 N12 Tb
• Calculated formula: C84 N12 Tb
• SMILES: c12=Nc3c4cc5ccccc5cc4c4=Nc5n6[Tb]789%10(n1c(=Nc1c%11cc%12ccccc%12cc%11c(=Nc6c6c5cc5ccccc5c6)[n]81)c1c2cc2c(c1)cccc2)([n]34)[n]1c2C=c3n9c(=Cc4[n]%10c(=Cc5n7c(C=c1c(c2CC)CC)c(c5CC)CC)c(c4CC)CC)c(c3CC)CC
• Title of publication: Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands
• Authors of publication: Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 844
• a: 28.55 ± 0.004 Å
• b: 26.489 ± 0.003 Å
• c: 10.9353 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8269.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No