Information card for entry 1549571

Structure parameters

• Formula: C37 H39 F11 N9 O9 P S3
• Calculated formula: C37 H39 F11 N9 O9 P S3
• SMILES: [P]123(F)(F)[n]4c(n(c5c4cccc5)CC)C[N]2(Cc2n(CC)c4c([n]12)cccc4)Cc1n(c2c([n]31)cccc2)CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC
• 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: 13.753 ± 0.007 Å
• b: 14.06 ± 0.007 Å
• c: 14.321 ± 0.007 Å
• α: 109.504 ± 0.013°
• β: 98.444 ± 0.013°
• γ: 111.998 ± 0.009°
• Cell volume: 2300 ± 2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2467
• Residual factor for significantly intense reflections: 0.1889
• Weighted residual factors for significantly intense reflections: 0.5278
• Weighted residual factors for all reflections included in the refinement: 0.569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No