Information card for entry 7706866

Structure parameters

• Formula: C52 H106 B2 N4 O4 P8 W2
• Calculated formula: C52 H106 B2 N4 O4 P8 W2
• Title of publication: Borane-catalysed dinitrogen borylation by 1,3-B-H bond addition.
• Authors of publication: Coffinet, Anaïs; Zhang, Dan; Vendier, Laure; Bontemps, Sébastien; Simonneau, Antoine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 16
• Pages of publication: 5582 - 5589
• a: 12.6243 ± 0.0009 Å
• b: 15.7892 ± 0.0011 Å
• c: 16.111 ± 0.0012 Å
• α: 91.132 ± 0.002°
• β: 91.227 ± 0.002°
• γ: 92.249 ± 0.002°
• Cell volume: 3207.5 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No