Information card for entry 1564646

Structure parameters

• Formula: C32 H20 Al F36 Fe O4 P5 Se
• Calculated formula: C32 H20 Al F36 Fe O4 P5 Se
• 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: 12.1286 ± 0.0004 Å
• b: 12.6674 ± 0.0005 Å
• c: 17.2846 ± 0.0008 Å
• α: 107.67 ± 0.004°
• β: 96.922 ± 0.003°
• γ: 90.247 ± 0.003°
• Cell volume: 2509.49 ± 0.18 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No