Information card for entry 4328436

Structure parameters

• Chemical name: 3,10-diiodo-1,2-dicarba-closo-dodecaborane(10)
• Formula: C2 H10 B10 I2
• Calculated formula: C2 H10 B10 I2
• SMILES: [CH]1234[CH]567[B]891(I)[BH]1%102[BH]2%113[BH]345[B]45%11([BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)I
• Title of publication: Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.
• Authors of publication: Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2629 - 2637
• a: 7.528 ± 0.0003 Å
• b: 7.528 ± 0.0003 Å
• c: 21.1968 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.24 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No