Information card for entry 7050473

Structure parameters

• Formula: C90 H76 N8 Nd O0.5
• Calculated formula: C88 H72 N8 Nd
• SMILES: c12C=c3c4cc5ccccc5cc4c4=Cc5[n]6[Nd]789%10([n]1c(=Cc1c%11cc%12ccccc%12cc%11c(n71)C=c6c1c5cc5ccccc5c1)c1c2cc2c(c1)cccc2)(n34)[n]1c2c(c(c1=Cc1n8c(c(c1CC)CC)C=c1[n]9c(C=c3n%10c(=C2)c(c3CC)CC)c(c1CC)CC)CC)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: 28.618 ± 0.008 Å
• b: 26.329 ± 0.008 Å
• c: 10.987 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8279 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1205
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No