Information card for entry 7714036

Structure parameters

• Formula: C80 H108 Cu2 O18
• Calculated formula: C80 H108 Cu2 O18
• Title of publication: A self-assembling of a metal-organic cage-like structure bearing cofacial redox-active bis-(o-semiquinone) copper(II) units
• Authors of publication: Cherkasova, Anna V.; Cherkasov, Anton Vladimirovich; Martyanov, Konstantin A.; Bogomyakov, Artem; Khrustalev, Victor N.; Kissel, Alexander; Kozhanov, Konstantin; Kuropatov, Viacheslav; Cherkasov, Vladimir Kuz'mich
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.271 ± 0.0009 Å
• b: 17.2741 ± 0.0014 Å
• c: 17.9562 ± 0.0016 Å
• α: 90°
• β: 99.095 ± 0.01°
• γ: 90°
• Cell volume: 4370.9 ± 0.6 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.1057
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.79313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No