Information card for entry 7714035

Structure parameters

• Formula: C80 H114 Cu2 O15
• Calculated formula: C80 H114 Cu2 O15
• 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: 11.2133 ± 0.0005 Å
• b: 14.5574 ± 0.0007 Å
• c: 14.7287 ± 0.0007 Å
• α: 112.212 ± 0.002°
• β: 100.457 ± 0.002°
• γ: 110.623 ± 0.002°
• Cell volume: 1941 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No