Information card for entry 1564639

Structure parameters

• Formula: C41.5 H41 Al As F36 Fe O4 P5
• Calculated formula: C38 H37 Al As F36 Fe O4 P5
• Title of publication: Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block
• Authors of publication: Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 28.0092 ± 0.0002 Å
• b: 21.7375 ± 0.0002 Å
• c: 10.5385 ± 0.0001 Å
• α: 90°
• β: 113.898 ± 0.001°
• γ: 90°
• Cell volume: 5866.28 ± 0.1 ų
• Cell temperature: 123.15 ± 0.01 K
• Ambient diffraction temperature: 123.15 ± 0.01 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No