Information card for entry 4327475

Structure parameters

• Common name: Ethanol dithiazinane O-dimethylaluminum
• Chemical name: O-Dimethylaluminum-2-(1,3,5-dithiazinan-5-yl)ethanolate dimer
• Formula: C14 H32 Al2 N2 O2 S4
• Calculated formula: C14 H32 Al2 N2 O2 S4
• SMILES: S1CSCN(C1)CC[O]1[Al]([O](CCN2CSCSC2)[Al]1(C)C)(C)C
• 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: 9.8132 ± 0.0012 Å
• b: 14.7213 ± 0.0017 Å
• c: 15.9375 ± 0.0018 Å
• α: 90°
• β: 107.275 ± 0.002°
• γ: 90°
• Cell volume: 2198.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.205
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No