Information card for entry 1572446

Structure parameters

• Formula: C88 H108 Cu4 Na4 O32 Si12
• Calculated formula: C88 H108 Cu4 Na4 O32 Si12
• 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: 21.04564 ± 0.00012 Å
• b: 19.44883 ± 0.00009 Å
• c: 12.70519 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5200.4 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No