Information card for entry 7124442

Structure parameters

• Formula: C25 H24 N2 O6 S
• Calculated formula: C25 H24 N2 O6 S
• Title of publication: Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations
• Authors of publication: Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.963 ± 0.0007 Å
• b: 10.0358 ± 0.0009 Å
• c: 28.017 ± 0.003 Å
• α: 90°
• β: 91.863 ± 0.003°
• γ: 90°
• Cell volume: 2237.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No