Information card for entry 4085032

Structure parameters

• Formula: C146 H176 B6 O24 P6
• Calculated formula: C146 H176 B6 O24 P6
• Title of publication: Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids
• Authors of publication: Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 254
• a: 14.9373 ± 0.0016 Å
• b: 15.3524 ± 0.0015 Å
• c: 18.09 ± 0.002 Å
• α: 70.912 ± 0.004°
• β: 65.758 ± 0.003°
• γ: 77.708 ± 0.003°
• Cell volume: 3559.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1112
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No