Information card for entry 7209521

Structure parameters

• Formula: C158 H65 Br3 N8
• Calculated formula: C158 H65 Br3 N8
• Title of publication: Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes
• Authors of publication: Shimizu, Soji; Miura, Akito; Kobayashi, Nagao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 3759
• a: 15.893 ± 0.002 Å
• b: 26.122 ± 0.004 Å
• c: 25.301 ± 0.003 Å
• α: 90°
• β: 94.641 ± 0.002°
• γ: 90°
• Cell volume: 10469 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No