Information card for entry 1569244

Structure parameters

• Formula: C17 H30 Br Fe P5
• Calculated formula: C17 H29.5 Br Fe P5
• 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: 11.2089 ± 0.0005 Å
• b: 11.4407 ± 0.0004 Å
• c: 18.1308 ± 0.0008 Å
• α: 90°
• β: 105.764 ± 0.004°
• γ: 90°
• Cell volume: 2237.6 ± 0.17 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No