Information card for entry 1564640

Structure parameters

• Formula: C39 H26 Al F36 Fe O4 P5
• Calculated formula: C39 H26 Al 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: 15.4816 ± 0.0004 Å
• b: 16.9548 ± 0.0005 Å
• c: 21.6022 ± 0.0006 Å
• α: 86.014 ± 0.002°
• β: 71.751 ± 0.002°
• γ: 88.928 ± 0.002°
• Cell volume: 5372.1 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No