Information card for entry 7045231

Structure parameters

• Chemical name: 7-(pyridine)-nido-decaborano-[6',7':5,6]-nido-decaborane
• Formula: C10 H28 B16 N2
• Calculated formula: C10 H27.502 B16 N2
• Title of publication: Substitution of the laser borane anti-B₁₈H₂₂ with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides.
• Authors of publication: Londesborough, Michael G. S.; Dolanský, Jiří; Jelínek, Tomáš; Kennedy, John D.; Císařová, Ivana; Kennedy, Robert D.; Roca-Sanjuán, Daniel; Francés-Monerris, Antonio; Lang, Kamil; Clegg, William
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1709 - 1725
• a: 9.0781 ± 0.0006 Å
• b: 16.8243 ± 0.001 Å
• c: 13.8309 ± 0.0009 Å
• α: 90°
• β: 95.355 ± 0.006°
• γ: 90°
• Cell volume: 2103.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No