Information card for entry 7117037

Structure parameters

• Formula: C46 H42 B Cl2 N4 P
• Calculated formula: C46 H42 B Cl2 N4 P
• SMILES: P1=C2N(C=CN2Cn2cc[n+](c12)Cc1ccccc1)Cc1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 11.012 ± 0.0004 Å
• b: 13.4813 ± 0.0005 Å
• c: 13.8114 ± 0.0004 Å
• α: 78.513 ± 0.002°
• β: 77.138 ± 0.001°
• γ: 87.889 ± 0.002°
• Cell volume: 1958.84 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No