Information card for entry 1567605

Structure parameters

• Common name: CoCp2 8CPP
• Formula: C58 H42 Co F12 P2
• Calculated formula: C58 H42 Co F12 P2
• Title of publication: Redox-Switchable Host-Guest Complexes of Metallocenes and [8]Cycloparaphenylene
• Authors of publication: Kwon, Hyejin; Newell, Brian S.; Bruns, Carson J.
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 38.1212 ± 0.0011 Å
• b: 13.7764 ± 0.0004 Å
• c: 24.9606 ± 0.0007 Å
• α: 90°
• β: 129.152 ± 0.001°
• γ: 90°
• Cell volume: 10165.4 ± 0.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• 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: 0.1475
• Residual factor for significantly intense reflections: 0.1332
• Weighted residual factors for significantly intense reflections: 0.4156
• Weighted residual factors for all reflections included in the refinement: 0.4512
• Goodness-of-fit parameter for all reflections included in the refinement: 2.238
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No