Information card for entry 7708646

Structure parameters

• Formula: C60 H77 K2 O2 P2 Se4
• Calculated formula: C54 H64 K2 P2 Se4
• SMILES: [Se]1(=P2(C(C)C)c3c(cccc3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)[K]34[Se]2[K]21[Se]3=P([Se]42)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C(C)C
• Title of publication: On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride
• Authors of publication: Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.9206 ± 0.0007 Å
• b: 17.3366 ± 0.0014 Å
• c: 37.912 ± 0.003 Å
• α: 90°
• β: 92.786 ± 0.002°
• γ: 90°
• Cell volume: 5856.3 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No