Information card for entry 7121657

Structure parameters

• Formula: C93 H58 B12 F55 N2 O13
• Calculated formula: C93 H58 B12 F55 N2 O13
• 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: 14.125 ± 0.0003 Å
• b: 27.2616 ± 0.0005 Å
• c: 29.4644 ± 0.0006 Å
• α: 110.44 ± 0.001°
• β: 91.699 ± 0.001°
• γ: 97.139 ± 0.001°
• Cell volume: 10516.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1376
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No