Information card for entry 7007761

Structure parameters

• Formula: C15 H34 B9 N
• Calculated formula: C15 H34 B9 N
• SMILES: [BH]123[C]456(c7ccccc7)[BH]781[BH]192[BH]234[BH]345[BH]567[BH]681[BH]923[BH]456.[N+](CC)(CC)(CC)CC
• Title of publication: Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.
• Authors of publication: Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5753 - 5769
• a: 10.0208 ± 0.0002 Å
• b: 13.6557 ± 0.0003 Å
• c: 15.4382 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2112.58 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No