Information card for entry 7718219

Structure parameters

• Formula: C29 H36 Fe I N2 O3 P
• Calculated formula: C29 H36 Fe I 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: 10.5577 ± 0.0004 Å
• b: 15.8428 ± 0.0006 Å
• c: 18.8333 ± 0.0006 Å
• α: 90°
• β: 99.915 ± 0.002°
• γ: 90°
• Cell volume: 3103.07 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No