Information card for entry 7720341

Structure parameters

• Formula: C12 H28 B Cl N2
• Calculated formula: C12 H28 B Cl N2
• Title of publication: Unlocking the chemistry of the octahydrotriborate anion: robust synthesis, structural elucidation, and unprecedented protonation stability of diamine-substituted derivatives.
• Authors of publication: Shulyak, Aleksandra T.; Lukoshkova, Anna A.; Selivanov, Nikita A.; Kubasov, Alexey S.; Skabitskii, Ivan V.; Zhdanov, Andrey P.; Avdeeva, Varvara V.; Bykov, Aleksandr Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 10.9652 ± 0.0018 Å
• b: 10.781 ± 0.002 Å
• c: 25.738 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3042.6 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No