Information card for entry 7706865

Structure parameters

• Formula: C32 H74 B2 N2 P4 W
• Calculated formula: C32 H74 B2 N2 P4 W
• 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: 12.0419 ± 0.00002 Å
• b: 20.7046 ± 0.00003 Å
• c: 15.8406 ± 0.00003 Å
• α: 90°
• β: 92.842 ± 0.003°
• γ: 90°
• Cell volume: 3944.56 ± 0.015 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No