Information card for entry 1551833

Structure parameters

• Formula: C156 H72 B12 F60 O12
• Calculated formula: C156 H72 B12 F60 O12
• 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: 19.211 ± 0.003 Å
• b: 19.674 ± 0.003 Å
• c: 22.866 ± 0.004 Å
• α: 97.606 ± 0.005°
• β: 114.089 ± 0.005°
• γ: 109.756 ± 0.005°
• Cell volume: 7048 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No