Information card for entry 2010810

Structure parameters

• Chemical name: 9-iodo-1,2-diphenyl-1,2-closo-dicarbadodecaborane(9)
• Formula: C14 H19 B10 I
• Calculated formula: C14 H19 B10 I
• SMILES: [C]1234([C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[B]%11%102([BH]291[BH]168[BH]734[BH]5%1121)I)c1ccccc1)c1ccccc1
• Title of publication: 1,2-Ph~2~-9-I-1,2-<i>closo</i>-C~2~B~10~H~9~
• Authors of publication: Thomas D. McGrath; Mark A. Fox; Alan J. Welch
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 487 - 488
• a: 9.0913 ± 0.0009 Å
• b: 11.4168 ± 0.0011 Å
• c: 18.0817 ± 0.0017 Å
• α: 90°
• β: 93.46 ± 0.007°
• γ: 90°
• Cell volume: 1873.3 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes