Information card for entry 7717530

Structure parameters

• Formula: C96 H76 Cu8 N4 O26 Si10
• Calculated formula: C96 H76 Cu8 N4 O26 Si10
• Title of publication: An octanuclear 3-phenyl-5-(2-pyridyl)pyrazolate/phenylsilsesquioxane complex: synthesis, unique structure, and catalytic activity.
• Authors of publication: Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Shul'pina, Lidia S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ikonnikov, Nikolay S.; Lobanov, Nikolai N.; Ragimov, Karim; Sun, Di
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 48
• Pages of publication: 19102 - 19106
• a: 17.8329 ± 0.0016 Å
• b: 16.528 ± 0.0015 Å
• c: 20.4641 ± 0.0019 Å
• α: 90°
• β: 106.432 ± 0.011°
• γ: 90°
• Cell volume: 5785.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.745 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No