Information card for entry 1549568

Structure parameters

• Formula: C36 H36 As Cl F6 N9 O6 S2
• Calculated formula: C34 H36 As Cl F6 N8 O6 S2
• SMILES: [As]123([N](Cc4[n]3c3c(n4CC)cccc3)(Cc3[n]1c1c(n3CC)cccc1)Cc1[n]2c2ccccc2n1CC)Cl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(#N)C
• 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: 14.2067 ± 0.0006 Å
• b: 15.9799 ± 0.0008 Å
• c: 18.6556 ± 0.001 Å
• α: 90°
• β: 94.05 ± 0.002°
• γ: 90°
• Cell volume: 4224.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No