Information card for entry 7708265

Structure parameters

• Formula: C26 H43 Fe O2 P2
• Calculated formula: C26 H43 Fe O2 P2
• Title of publication: Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity
• Authors of publication: Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.9522 ± 0.0013 Å
• b: 16.06 ± 0.002 Å
• c: 15.927 ± 0.002 Å
• α: 90°
• β: 107.685 ± 0.003°
• γ: 90°
• Cell volume: 2669 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No