Information card for entry 1569246

Structure parameters

• Formula: C29 H40 Fe P6
• Calculated formula: C29 H40 Fe P6
• Title of publication: Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i>⁵-P₅)] and release of functionalised phosphines.
• Authors of publication: Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 7285 - 7290
• a: 11.7026 ± 0.0006 Å
• b: 14.3826 ± 0.0005 Å
• c: 18.9471 ± 0.0007 Å
• α: 85.336 ± 0.003°
• β: 85.053 ± 0.004°
• γ: 88.352 ± 0.004°
• Cell volume: 3165.9 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No