Information card for entry 7708266

Structure parameters

• Formula: C22 H35 Br Fe O2 P2
• Calculated formula: C22 H35 Br 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: 16.219 ± 0.0015 Å
• b: 13.5863 ± 0.0012 Å
• c: 21.3867 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4712.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No