Information card for entry 7110562

Structure parameters

• Common name: 1,2-dicarbadodecaborane-imino-tris(dimethylamino)phosphorane adduct
• Formula: C8 H31 B10 N4 P
• Calculated formula: C8 H31 B10 N4 P
• SMILES: [P+](N[BH]12[BH]345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%1569[CH]%13([CH]48%15)[BH]42%14[BH]2%11%12[BH]37%10[BH]1542)(N(C)C)(N(C)C)N(C)C
• Title of publication: Deboronation of ortho-carborane by an iminophosphorane: crystal structures of the novel carborane adduct nido-C2B10H12·HNP(NMe2)3 and the borenium salt [(Me2N)3PNHBNP(NMe2)3]2O2+(C2B9H12−)2
• Authors of publication: Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Neretin, Ivan S.; Wade, Kenneth
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1649
• a: 10.799 ± 0.002 Å
• b: 17.252 ± 0.004 Å
• c: 20.326 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3786.8 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1681
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No