Information card for entry 4310827

Structure parameters

• Formula: C29 H25 B F4 N2 P2
• Calculated formula: C29 H25 B F4 N2 P2
• SMILES: P(P(c1ccccc1)c1ccccc1)(=Nc1[nH+]cccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Transformation between Diphosphinoamines and Iminobiphosphines: a Reversible PNP \λeftarrow→NP-P Rearrangement Triggered by Protonation/Deprotonation
• Authors of publication: Zhaofu Fei; Nermin Biricik; Dongbin Zhao; Rosario Scopelliti; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2228 - 2230
• a: 9.893 ± 0.004 Å
• b: 11.133 ± 0.007 Å
• c: 12.673 ± 0.006 Å
• α: 96.71 ± 0.05°
• β: 102.6 ± 0.04°
• γ: 102.69 ± 0.04°
• Cell volume: 1308.8 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No