Information card for entry 4319945

Structure parameters

• Formula: C26 H31 B9 O2 P2
• Calculated formula: C26 H31 B9 O2 P2
• SMILES: [OH+]=P([C]123[BH]456[BH]789[BH]%10%115[BH]57%12[BH]%10%139[BH]268[BH]1%10[BH]25%13[H][BH]%10%122[C]34%11P(c1ccccc1)(c1ccccc1)=O)(c1ccccc1)c1ccccc1
• Title of publication: Proton Mediated Partial Degradation of Closo-dicarbaboranes
• Authors of publication: C. Viñas; R. Núñez; I. Rojo; F. Teixidor; R. Kivekäs; R. Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3259 - 3260
• a: 11.638 ± 0.003 Å
• b: 13.124 ± 0.003 Å
• c: 11.48 ± 0.003 Å
• α: 108.66 ± 0.02°
• β: 110.25 ± 0.02°
• γ: 103.25 ± 0.02°
• Cell volume: 1440.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No