Information card for entry 1568637

Structure parameters

• Formula: C13 H21 Fe P5
• Calculated formula: C13 H21 Fe P5
• SMILES: [Fe]1234567([P]8=P9([P]3=[P]2P18)CCC9)[c]1([c]6([c]4([c]5([c]71C)C)C)C)C
• Title of publication: Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
• Authors of publication: Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3834 - 3838
• a: 8.4755 ± 0.0001 Å
• b: 8.8421 ± 0.0001 Å
• c: 22.8473 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712.2 ± 0.04 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No