Information card for entry 7121541

Structure parameters

• Formula: C232 H234 Cl48 N16 O17 Zn
• Calculated formula: C232 H234 Cl48 N16 O17 Zn
• Title of publication: Rylene annulated phthalocyanine: a fully conjugated block for the construction of a supramolecular two-dimensional framework
• Authors of publication: Feng, Jiajing; Fu, Lu Lu; Huang, Tengda; Geng, Hua; Jiang, Wei; Wang, Zhaohui
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 29.4605 ± 0.0002 Å
• b: 29.4605 ± 0.0002 Å
• c: 37.2375 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32319.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.3435
• Weighted residual factors for all reflections included in the refinement: 0.3753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No