Information card for entry 4087932

Structure parameters

• Formula: C96 H80 B40 Cu4 F48 N8 O16
• Calculated formula: C96 H80 B40 Cu4 F48 N8 O16
• Title of publication: Heterocyclic and Open-Chain Carboranes via Transition-Metal-Free C‒H Functionalization of Mono- and Diazine-N-oxides
• Authors of publication: Galliamova, Lidiia A.; Varaksin, Mikhail V.; Chupakhin, Oleg N.; Slepukhin, Pavel A.; Charushin, Valery N.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5285
• a: 12.3972 ± 0.0003 Å
• b: 13.6503 ± 0.0003 Å
• c: 19.9916 ± 0.0006 Å
• α: 93.587 ± 0.002°
• β: 92.779 ± 0.002°
• γ: 94.252 ± 0.002°
• Cell volume: 3362.37 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No