Information card for entry 7132311

Structure parameters

• Formula: C153 H147 F27 N51 O27 Pb6 S9
• Calculated formula: C153 H147 F27 N51 O27 Pb6 S9
• Title of publication: Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.
• Authors of publication: Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 21.0331 ± 0.0002 Å
• b: 21.0331 ± 0.0002 Å
• c: 58.251 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22317.2 ± 0.5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No