Information card for entry 7101833

Structure parameters

• Formula: C8 H19 Na2 O2 P S4
• Calculated formula: C8 H19 Na2 O2 P S4
• SMILES: [Na+].[Na+].[S-]P(=S)([S-])SC(C)(C)C.O(C)CCOC
• Title of publication: A recipe for new organometallic polymers and oligomers? Synthesis and structure of an oligo- and a polymeric arrangement of P-S anions.
• Authors of publication: Rothenberger, Alexander; Shafaei-Fallah, Maryam; Shi, Weifeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1499 - 1501
• a: 10.86 ± 0.0006 Å
• b: 11.8116 ± 0.0007 Å
• c: 13.6914 ± 0.0007 Å
• α: 89.67 ± 0.004°
• β: 82.78 ± 0.004°
• γ: 83.45 ± 0.005°
• Cell volume: 1730.89 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No