Information card for entry 4349984

Structure parameters

• Formula: C180 H64 Cl8 N16 Y2
• Calculated formula: C180 H64 Cl8 N16 Y2
• Title of publication: Molecular assembly-induced charge transfer between a mixed (phthalocyaninato)(porphyrinato) yttrium triple-decker and a fullerene
• Authors of publication: Wang, Chiming; Wang, Hailong; Liu, Chenxi; Qi, Dongdong; Jiang, Jianzhuang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 654
• a: 20.6353 ± 0.0003 Å
• b: 20.6353 ± 0.0003 Å
• c: 36.9677 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15741.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No