Information card for entry 4087933

Structure parameters

• Formula: C21 H19 B10 Cu F9 N2 O4
• Calculated formula: C21 H19 B10 Cu F9 N2 O4
• 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: 11.9262 ± 0.0004 Å
• b: 19.0285 ± 0.0004 Å
• c: 12.8975 ± 0.0003 Å
• α: 90°
• β: 90.309 ± 0.003°
• γ: 90°
• Cell volume: 2926.89 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No