Information card for entry 7035673

Structure parameters

• Formula: C H5 B11 F10 N O0.5
• Calculated formula: C H5 B11 F10 N O0.5
• SMILES: F[B]1234[CH]567[B]893(F)[B]3%10%11(F)[B]%12%13%14(F)[B]183(F)[B]12%12(F)[B]245(F)[B]3%141(F)[B]1%10%13(F)[B]623(F)[B]79%111[NH3].O
• 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: 14.684 ± 0.004 Å
• b: 22.575 ± 0.007 Å
• c: 14.269 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4730 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0613
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No