Information card for entry 1569245

Structure parameters

• Formula: C28 H48 Fe2 P10
• Calculated formula: C28 H48 Fe2 P10
• SMILES: [Fe]1234567([P]8=P([P]1=[P]3P28)(C(C)(C)C)CCCP1(=[P]2[Fe]389%10%11%12([P]1=[P]8P23)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• 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: 8.8375 ± 0.0004 Å
• b: 14.5973 ± 0.0007 Å
• c: 16.2499 ± 0.0008 Å
• α: 63.684 ± 0.005°
• β: 89.773 ± 0.004°
• γ: 81.732 ± 0.004°
• Cell volume: 1855.28 ± 0.18 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: 0.0434
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No