Information card for entry 1572461

Structure parameters

• Formula: C77 H85 Cu4 Na4 O31.5 Si12
• Calculated formula: C77 H85 Cu4 Na4 O31.5 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: 31.5879 ± 0.001 Å
• b: 12.4253 ± 0.0003 Å
• c: 25.4831 ± 0.0005 Å
• α: 90°
• β: 99.023 ± 0.002°
• γ: 90°
• Cell volume: 9878.1 ± 0.4 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: 0.1591
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No