Information card for entry 7035676

Structure parameters

• Formula: C4 H19 B11 F N O
• Calculated formula: C4 H19 B11 F N O
• SMILES: [CH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[B]168([NH3])[BH]734[B]5%1121F.O=C(C)C
• Title of publication: Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.
• Authors of publication: Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19576 - 19586
• a: 9.8577 ± 0.0008 Å
• b: 10.3265 ± 0.0008 Å
• c: 13.5715 ± 0.0011 Å
• α: 90°
• β: 96.499 ± 0.002°
• γ: 90°
• Cell volume: 1372.64 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No