Information card for entry 1551832

Structure parameters

• Formula: C85.82 H25.82 B12 Cl5.46 F60 O12.99
• Calculated formula: C85.82 H25.82 B12 Cl5.46 F60 O12.994
• Title of publication: Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry
• Authors of publication: Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 333 - 340
• a: 14.7965 ± 0.0004 Å
• b: 14.7965 ± 0.0004 Å
• c: 38.3211 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7265.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No