Information card for entry 7111653

Structure parameters

• Formula: C10 H10 N2 P2 S7
• Calculated formula: C10 H10 N2 P2 S7
• SMILES: P(SSSP(=S)([S-])[n+]1ccccc1)(=S)([S-])[n+]1ccccc1
• Title of publication: py2P2S7: a bis(pyridine)adduct stabilized phosphorus sulfide
• Authors of publication: Rotter, Christiane; Evangelisti, Camilla; Schönberger, Stefanie; Klapötke, Thomas M.; Karaghiosoff, Konstantin
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 5024 - 5025
• a: 13 ± 0.003 Å
• b: 8.0185 ± 0.0016 Å
• c: 17.332 ± 0.004 Å
• α: 90°
• β: 97.68 ± 0.03°
• γ: 90°
• Cell volume: 1790.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0755
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No