Information card for entry 7718221

Structure parameters

• Formula: C29 H36 Br Fe N2 O3 P
• Calculated formula: C29 H36 Br Fe N2 O3 P
• Title of publication: Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.
• Authors of publication: Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 1806 - 1814
• a: 10.4231 ± 0.0005 Å
• b: 15.9589 ± 0.0007 Å
• c: 18.5439 ± 0.0008 Å
• α: 90°
• β: 97.918 ± 0.002°
• γ: 90°
• Cell volume: 3055.2 ± 0.2 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 7
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No