Information card for entry 1517361

Structure parameters

• Chemical name: (Ph,Me-PNP)Mn(Br)(CO)(bppm)
• Formula: C68 H49 Br F24 Mn N O P4
• Calculated formula: C68 H49 Br F24 Mn N 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: 13.0764 ± 0.0005 Å
• b: 16.0035 ± 0.0006 Å
• c: 17.7414 ± 0.0006 Å
• α: 102.567 ± 0.002°
• β: 93.99 ± 0.002°
• γ: 113.051 ± 0.002°
• Cell volume: 3284.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No