Information card for entry 4027838

Structure parameters

• Formula: C5 H10 P2 S6
• Calculated formula: C5 H10 P2 S6
• SMILES: S=P1(SCCS1)CP1(=S)SCCS1
• Title of publication: O,O'-Diester Methylenediphosphonotetrathioate: Synthesis, Characterization, and Potential Applications
• Authors of publication: Aviran Amir; Alon H. Sayer; Rostislav Zagalsky; Linda J. W. Shimon; Bilha Fischer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 270 - 277
• a: 9.1901 ± 0.0002 Å
• b: 13.8414 ± 0.0002 Å
• c: 10.03 ± 0.0002 Å
• α: 90°
• β: 104.9 ± 0.001°
• γ: 90°
• Cell volume: 1232.96 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No