Information card for entry 1572445

Structure parameters

• Formula: C172 H208 Cu8 Li8 O64 Si24
• Calculated formula: C172 H208 Cu8 Li8 O64 Si24
• Title of publication: Rational (supra)molecular design and catalytic activity of cagelike Cu4-based phenylsilsesquioxanes
• Authors of publication: Zueva, Anna; Bilyachenko, Alexey; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel; Shubina, Elena; Rahimov, Karim G.; Lobanov, Nikolai N.; Sun, Di
• Journal of publication: Nanoscale
• Year of publication: 2024
• a: 27.2908 ± 0.0004 Å
• b: 12.83961 ± 0.00018 Å
• c: 28.6407 ± 0.0004 Å
• α: 90°
• β: 94.7195 ± 0.0014°
• γ: 90°
• Cell volume: 10001.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No