Information card for entry 4349184

Structure parameters

• Formula: C12 H27 B8 N
• Calculated formula: C12 H27 B8 N
• SMILES: c1([C]23[BH]456[BH]72[BH]289[BH]%10%11%12[BH]%135([CH]34[BH]%12%13[BH]8%11[H]9)[BH]672%10)ccccc1.[N+](C)(C)(C)C
• Title of publication: Prototropic μ-H^8,9 and μ-H^9,10 Tautomers Derived from the [nido-5,6-C₂B₈H₁₁]^- Anion.
• Authors of publication: Tok, Oleg L.; Růžičková, Zdenka; Růžička, Aleš; Hnyk, Drahomír; Štíbr, Bohumil
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10122 - 10124
• a: 9.3751 ± 0.0005 Å
• b: 11.72 ± 0.0008 Å
• c: 15.59 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712.97 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0941
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No