Information card for entry 7005890

Structure parameters

• Formula: N2 O S3
• Calculated formula: N2 O S3
• SMILES: S1(=O)SN=S=N1
• Title of publication: Structure, bonding, aromaticity and reactivity of Roesky's sulfoxide.
• Authors of publication: Tersago, Karla; Matuska, Vit; Van Alsenoy, Christian; Slawin, Alexandra M. Z.; Woollins, J. Derek; Blockhuys, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4529 - 4535
• a: 7.617 ± 0.005 Å
• b: 9.23 ± 0.006 Å
• c: 7.05 ± 0.005 Å
• α: 90°
• β: 115.92 ± 0.006°
• γ: 90°
• Cell volume: 445.8 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No