Information card for entry 7711221

Structure parameters

• Formula: C176 H176 Co16 N16 O64
• Calculated formula: C144 H128 Co16 O64
• Title of publication: A ferromagnetically coupled pseudo-calixarene [Co16] wheel that self-assembles as a tubular network of capsules
• Authors of publication: Brechin, Euan K.; Tsami, Pinelopi A.; Tziotzi, Thomais G.; Tsanai, Angelos B.; Singh, Mukesh; Dalgarno, Scott; Milios, Constantinos J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 29.925 ± 0.0006 Å
• b: 29.925 ± 0.0006 Å
• c: 11.2727 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10094.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No