Information card for entry 1569829

Structure parameters

• Formula: C38 H38 Cl2 O4 Ru2
• Calculated formula: C38 H38 Cl2 O4 Ru2
• Title of publication: Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.
• Authors of publication: Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9724 - 9732
• a: 11.6451 ± 0.0007 Å
• b: 10.9012 ± 0.0006 Å
• c: 14.0135 ± 0.0007 Å
• α: 90°
• β: 109.99 ± 0.003°
• γ: 90°
• Cell volume: 1671.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No