Information card for entry 4349185

Structure parameters

• Formula: C10 H31 B8 N
• Calculated formula: C10 H31 B8 N
• SMILES: [NH+](CC)(CC)CC.[C]12([C]34([BH]567[H][BH]85[BH]59[BH]%101[BH]1%119[BH]685[BH]371[BH]24%10%11)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: 7.449 ± 0.0008 Å
• b: 7.891 ± 0.0011 Å
• c: 14.826 ± 0.0017 Å
• α: 88.895 ± 0.012°
• β: 82.014 ± 0.01°
• γ: 75.824 ± 0.009°
• Cell volume: 836.64 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No