Information card for entry 4126197

Structure parameters

• Formula: C18 H36 B2 Cu N6 O6 S6
• Calculated formula: C18 H36 B2 Cu N6 O6 S6
• Title of publication: Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy.
• Authors of publication: Wong, Y. T. Angel; Landmann, Johannes; Finze, Maik; Bryce, David L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.0349 ± 0.0013 Å
• b: 14.0349 ± 0.0013 Å
• c: 15.639 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2667.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No