Information card for entry 4061703

Structure parameters

• Formula: C16 H32 Cl2 O4 S Ti
• Calculated formula: C16 H32 Cl2 O4 S Ti
• SMILES: [Ti]1(Cl)(Cl)(OC(CSCC(O1)(C)C)(C)C)([O]1CCCC1)[O]1CCCC1
• Authors of publication: Carpentier; Lehmann
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 10.0684 ± 0.0002 Å
• b: 10.7817 ± 0.0002 Å
• c: 20.2383 ± 0.0004 Å
• α: 90°
• β: 101.938 ± 0.001°
• γ: 90°
• Cell volume: 2149.44 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No