Information card for entry 7022332

Structure parameters

• Formula: C14 H29 B11 N2
• Calculated formula: C14 H29 B11 N2
• Title of publication: Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.
• Authors of publication: Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2266 - 2281
• a: 22.0316 ± 0.0011 Å
• b: 14.1828 ± 0.0007 Å
• c: 13.5281 ± 0.0006 Å
• α: 90°
• β: 107.725 ± 0.002°
• γ: 90°
• Cell volume: 4026.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No