Information card for entry 2013113

Structure parameters

• Common name: 9,12-diiodo-ortho-carborane
• Chemical name: 9,12-diiodo-1,2-dicarba-closo-dodecaborane(12)
• Formula: C2 H10 B10 I2
• Calculated formula: C2 H10 B10 I2
• SMILES: I[B]1234[BH]567[CH]89%10[CH]%11%12%13[BH]%1458[BH]58%12[BH]27%14[B]248(I)[BH]473[BH]169[BH]%10%114[BH]%13527
• Title of publication: 9,12-Diiodo-1,2-dicarba-<i>closo</i>-dodecaborane(12)
• Authors of publication: Batsanov, Andrei S.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martindale, Steven J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o74 - o76
• a: 7.126 ± 0.003 Å
• b: 12.32 ± 0.004 Å
• c: 13.905 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1220.8 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0204
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes