Information card for entry 1517360

Structure parameters

• Chemical name: [(P2N2)Mn(CO)(dppm)][BArF]
• Formula: C88.72 H66 B Cl1.44 F24 Mn N2 O P4
• Calculated formula: C88.72 H66 B Cl1.44 F24 Mn N2 O P4
• Title of publication: Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning
• Authors of publication: Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4729
• a: 10.1892 ± 0.0003 Å
• b: 19.1512 ± 0.0007 Å
• c: 22.8693 ± 0.0009 Å
• α: 73.339 ± 0.002°
• β: 83.858 ± 0.002°
• γ: 89.798 ± 0.002°
• Cell volume: 4249 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No