Information card for entry 7007762

Structure parameters

• Formula: C15 H36.65 B10.35 N
• Calculated formula: C15 H36.65 B10.35 N
• 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: 12.9967 ± 0.0005 Å
• b: 10.1842 ± 0.0003 Å
• c: 17.101 ± 0.0008 Å
• α: 90°
• β: 100.303 ± 0.001°
• γ: 90°
• Cell volume: 2227.01 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No