Information card for entry 2208116

Structure parameters

• Chemical name: 1,2-Diphenylphosphino-1,2-dicarba-closo-dodecaborane
• Formula: C26 H30 B10 P2
• Calculated formula: C26 H30 B10 P2
• SMILES: P([C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([BH]1%152[BH]235[BH]368[BH]59%11[BH]%12%141[BH]%15235)[C]47%10%13P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 1,2-Bis(diphenylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane
• Authors of publication: Dao-Peng Zhang; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o418 - o419
• a: 16.315 ± 0.006 Å
• b: 10.387 ± 0.004 Å
• c: 17.768 ± 0.006 Å
• α: 90°
• β: 111.845 ± 0.005°
• γ: 90°
• Cell volume: 2794.8 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes