Information card for entry 1572462

Structure parameters

• Formula: C92 H112 Cu4 Na4 O30 Si12
• Calculated formula: C92 H112 Cu4 Na4 O30 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: 42.5782 ± 0.0011 Å
• b: 12.84264 ± 0.00011 Å
• c: 28.6065 ± 0.0007 Å
• α: 90°
• β: 136.955 ± 0.005°
• γ: 90°
• Cell volume: 10677.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No