Information card for entry 7050471

Structure parameters

• Formula: C84 H68 La N12
• Calculated formula: C84 La N12
• SMILES: c12c3c(c4=Nc5c6cc7ccccc7cc6c6n5[La]5789([n]14)(n1c(=N2)c2cc4ccccc4cc2c1=Nc1[n]5c(=N6)c2c1cc1c(c2)cccc1)[n]1c2C=c4n7c(=Cc5[n]8c(=Cc6n9c(C=c1c(c2CC)CC)c(c6CC)CC)c(c5CC)CC)c(c4CC)CC)cc1c(c3)cccc1
• 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: 28.368 ± 0.005 Å
• b: 26.078 ± 0.004 Å
• c: 11.095 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8208 ± 2 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: 0.2083
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No