Information card for entry 7006718

Structure parameters

• Formula: C13 H25 N O2 S3
• Calculated formula: C13 H25 N O2 S3
• Title of publication: Synthesis of diazahexathia-24-crown-8 derivatives and structures of Ag+ complexes.
• Authors of publication: Habata, Yoichi; Seo, Joobeom; Otawa, Satoshi; Osaka, Futoshi; Noto, Kanae; Sung Lee, Shim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 18
• Pages of publication: 2202 - 2206
• a: 21.1574 ± 0.0013 Å
• b: 8.5512 ± 0.0006 Å
• c: 9.2467 ± 0.0006 Å
• α: 90°
• β: 98.991 ± 0.001°
• γ: 90°
• Cell volume: 1652.37 ± 0.19 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No