Information card for entry 7121656

Structure parameters

• Formula: C100 H60 B12 F60 N O12
• Calculated formula: C100 H60 B12 F60 N O12
• Title of publication: Tuning the electrochemical potential of perfunctionalized dodecaborate clusters through vertex differentiation.
• Authors of publication: Wixtrom, Alex I.; Parvez, Zeeshan A.; Savage, Miles D.; Qian, Elaine A.; Jung, Dahee; Khan, Saeed I.; Rheingold, Arnold L.; Spokoyny, Alexander M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 5867 - 5870
• a: 13.3889 ± 0.0003 Å
• b: 13.8983 ± 0.0003 Å
• c: 29.7778 ± 0.0007 Å
• α: 97.621 ± 0.001°
• β: 100.29 ± 0.001°
• γ: 93.583 ± 0.001°
• Cell volume: 5382.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No