Information card for entry 2005316

Structure parameters

• Common name: meta-diphenylcarborane
• Chemical name: 1,7-diphenyl-1,7-dicarbadodecaborane
• Formula: C14 H20 B10
• Calculated formula: C14 H20 B10
• SMILES: [C]1234([BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[C]168([BH]734[BH]5%1121)c1ccccc1)c1ccccc1
• Title of publication: Redetermination of 1,7-Diphenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)
• Authors of publication: Rosair, G. M.; Welch, A. J.; Weller, A. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2221 - 2222
• a: 10.898 ± 0.0013 Å
• b: 7.6993 ± 0.0006 Å
• c: 20.713 ± 0.002 Å
• α: 90°
• β: 103.971 ± 0.008°
• γ: 90°
• Cell volume: 1686.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections: 0.2465
• Weighted residual factors for significantly intense reflections: 0.1477
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No