Information card for entry 7117036

Structure parameters

• Formula: C49 H48 B N4 O P
• Calculated formula: C49 H48 B N4 O P
• Title of publication: Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations
• Authors of publication: Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7741
• a: 11.0003 ± 0.0004 Å
• b: 13.6439 ± 0.0005 Å
• c: 14.0585 ± 0.0005 Å
• α: 77.876 ± 0.002°
• β: 79.118 ± 0.002°
• γ: 87.493 ± 0.002°
• Cell volume: 2025.82 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No