Information card for entry 7109090

Structure parameters

• Formula: C15 H24 B9 P
• Calculated formula: C15 H24 B9 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(C)[C]123[BH]456[BH]78([CH]9%10[BH]%111[BH]1%129[BH]92%11[BH]234[BH]319[BH]572[BH]8%10%123)[H]6
• Title of publication: Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane
• Authors of publication: Joseph A. Ioppolo; Mohan Bhadbhade; Mark A. Fox; Louis M. Rendina
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3312
• a: 26.8733 ± 0.0017 Å
• b: 7.2742 ± 0.0006 Å
• c: 19.5342 ± 0.0014 Å
• α: 90°
• β: 106.28 ± 0.002°
• γ: 90°
• Cell volume: 3665.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No