Information card for entry 7064147

Structure parameters

• Formula: C67 H60 Br4 Cl2 Fe2 Mn3 N4 O8 P2
• Calculated formula: C67 H60 Br4 Cl2 Fe2 Mn3 N4 O8 P2
• Title of publication: Asymmetric hydrogenation of ketones with planar chiral manganese(i) complexes
• Authors of publication: Yang, Runqian; Bandyopadhyay, Uchchhal; Mallet-Ladeira, Sonia; Poli, Rinaldo; Manoury, Eric; Labande, Agnès
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 13.9449 ± 0.0002 Å
• b: 14.3934 ± 0.0002 Å
• c: 22.7282 ± 0.0001 Å
• α: 83.071 ± 0.001°
• β: 89.592 ± 0.001°
• γ: 61.467 ± 0.002°
• Cell volume: 3971.86 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0512
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No