Information card for entry 1529329

Structure parameters

• Formula: C28 H36 As F9 N8 O9 S3
• Calculated formula: C28 H36 As F9 N8 O9 S3
• SMILES: [As]([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.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: Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations
• Authors of publication: Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6545
• a: 12.3457 ± 0.0011 Å
• b: 13.3802 ± 0.0012 Å
• c: 14.5721 ± 0.0013 Å
• α: 81.4461 ± 0.0011°
• β: 66.6056 ± 0.001°
• γ: 72.0828 ± 0.0011°
• Cell volume: 2101.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No