Information card for entry 4327472

Structure parameters

• Common name: N-Ethanoldithiazinane
• Chemical name: O-Dimethylclhoroaluminum-O-dimethylaluminum-2-(1,3,5-dithiazinan-5-yl)ethanolate
• Formula: C9 H22 Al2 Cl N O S2
• Calculated formula: C9 H22 Al2 Cl N O S2
• SMILES: C1SC[N]2(CS1)CC[O]([Al]2(C)C)[Al](C)(C)Cl
• Title of publication: Organometallic Aluminum Compounds Derived from 2-(1,3,5-Dithiazinan-5-yl)ethanol Ligands1
• Authors of publication: Juan Carlos Gálvez-Ruiz; Henrich Nöth; Angelina Flores-Parra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7569 - 7578
• a: 24.776 ± 0.005 Å
• b: 8.115 ± 0.002 Å
• c: 17.165 ± 0.003 Å
• α: 90°
• β: 107.94 ± 0.03°
• γ: 90°
• Cell volume: 3283.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1547
• Weighted residual factors for significantly intense reflections: 0.1286
• Goodness-of-fit parameter for all reflections: 0.929
• Goodness-of-fit parameter for significantly intense reflections: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No