Information card for entry 1549574

Structure parameters

• Formula: C38 H40.5 F9 N9.5 O9 S3 Sb
• Calculated formula: C38 H40.5 F9 N9.5 O9 S3 Sb
• SMILES: [Sb]123(OS(=O)(=O)C(F)(F)F)[n]4c(n(c5c4cccc5)CC)C[N]1(Cc1n(c4c([n]31)cccc4)CC)Cc1[n]2c2c(n1CC)cccc2.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.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: 12.726 ± 0.005 Å
• b: 18.899 ± 0.008 Å
• c: 20.823 ± 0.008 Å
• α: 102.659 ± 0.014°
• β: 97.475 ± 0.014°
• γ: 99.315 ± 0.014°
• Cell volume: 4750 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 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: 0.0582
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No