Information card for entry 7008543

Structure parameters

• Formula: C8 H26 B10 I N
• Calculated formula: C8 H26 B10 I N
• SMILES: [N+](CC[C]1234[C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)(C)(C)C.[I-].[I-]
• Title of publication: Synthesis and structural characterization of mono- and bisfunctional o-carboranes.
• Authors of publication: Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2375 - 2381
• a: 12.0887 ± 0.0017 Å
• b: 13.3414 ± 0.0019 Å
• c: 11.208 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1807.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No