Information card for entry 1517364

Structure parameters

• Chemical name: [(Ph,Me-PNP)Mn(CO(bppm)][B(C6F5)4]
• Formula: C103 H57 B F46 Mn N O P4
• Calculated formula: C103 H57 B F46 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: 13.826 ± 0.0005 Å
• b: 14.0301 ± 0.0005 Å
• c: 14.8023 ± 0.0005 Å
• α: 108.714 ± 0.001°
• β: 109.969 ± 0.001°
• γ: 96.491 ± 0.001°
• Cell volume: 2474.82 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No