Information card for entry 4082012

Structure parameters

• Formula: C19 H51 B10 N5
• Calculated formula: C19 H51 B10 N5
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.n1(nn[n](c1C)[B]1234[BH]56[BH]781[BH]19%10[BH]%11%12%13[BH]35([BH]689%11)[BH]34%12[BH]271[BH]%10%133)C
• Title of publication: Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters
• Authors of publication: Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6576
• a: 14.6915 ± 0.0006 Å
• b: 9.4791 ± 0.0007 Å
• c: 20.7104 ± 0.001 Å
• α: 90°
• β: 100.301 ± 0.004°
• γ: 90°
• Cell volume: 2837.7 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No