Information card for entry 1549570

Structure parameters

• Formula: C25 H19.5 N7.5 P
• Calculated formula: C25 H19.5 N7.5 P
• SMILES: P12n3c(nc4c3cccc4)CN(Cc3n1c1ccccc1n3)Cc1n2c2ccccc2n1.CC#N
• Title of publication: Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]³⁺/[LPF₂]³⁺ redox couple.
• Authors of publication: Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5837 - 5841
• a: 13.0553 ± 0.0005 Å
• b: 25.1646 ± 0.0012 Å
• c: 14.6359 ± 0.0006 Å
• α: 90°
• β: 114.619 ± 0.0015°
• γ: 90°
• Cell volume: 4371.2 ± 0.3 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 4
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No