Information card for entry 1569247

Structure parameters

• Formula: C40.5 H76 Cl Fe2 P10
• Calculated formula: C31 H54 Fe2 P10
• 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: 15.5101 ± 0.0003 Å
• b: 12.8109 ± 0.0002 Å
• c: 24.2981 ± 0.0003 Å
• α: 90°
• β: 101.449 ± 0.001°
• γ: 90°
• Cell volume: 4731.92 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No