Information card for entry 7124520

Structure parameters

• Formula: C72 H60 N2 P4 Se11
• Calculated formula: C72 H60 N2 P4 Se11
• Title of publication: Catenated and Spirocyclic Polychalcogenides from Potassium Carbonate and Elemental Chalcogens
• Authors of publication: Chivers, Tristram; Edelmann, Frank T.; Liebing , Phil; Hilfert, Liane; Goldhahn , R.; Feneberg, Martin; Swanson, Claudia; kueling, marcel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.9704 ± 0.0003 Å
• b: 18.3061 ± 0.0004 Å
• c: 17.763 ± 0.0005 Å
• α: 90°
• β: 95.713 ± 0.002°
• γ: 90°
• Cell volume: 3549.54 ± 0.16 ų
• Cell temperature: 133.15 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No