Information card for entry 7124444

Structure parameters

• Formula: C45 H51 B F20 Mn N O P4
• Calculated formula: C45 H51 B F20 Mn N O P4
• 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: 8.0303 ± 0.0006 Å
• b: 26.226 ± 0.002 Å
• c: 23.4324 ± 0.0019 Å
• α: 90°
• β: 90.377 ± 0.005°
• γ: 90°
• Cell volume: 4934.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1411
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No