Information card for entry 7050478

Structure parameters

• Formula: C88 H72 N8 Tm
• Calculated formula: C88 H72 N8 Tm
• SMILES: c12C=c3c4cc5ccccc5cc4c4=Cc5[n]6[Tm]789%10([n]1c(=Cc1c%11cc%12ccccc%12cc%11c(n71)C=c6c1c5cc5ccccc5c1)c1c2cc2c(c1)cccc2)(n34)n1c2=Cc3[n]%10c(=Cc4n9c(c(c4CC)CC)C=c4[n]8c(C=c1c(c2CC)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: 28.632 ± 0.014 Å
• b: 26.669 ± 0.013 Å
• c: 10.938 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8352 ± 7 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: 0.1013
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No