Information card for entry 1572458

Structure parameters

• Formula: C160 H184 Cu8 Na8 O64 Si24
• Calculated formula: C160 H184 Cu8 Na8 O64 Si24
• Title of publication: Rational (supra)molecular design and catalytic activity of cage-like Cu₄-based phenylsilsesquioxanes.
• Authors of publication: Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 18389 - 18398
• a: 35.542 ± 0.003 Å
• b: 12.527 ± 0.0008 Å
• c: 25.4243 ± 0.0019 Å
• α: 90°
• β: 118.589 ± 0.009°
• γ: 90°
• Cell volume: 9939.6 ± 1.5 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: 0.1013
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.745 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No