Information card for entry 4060683

Structure parameters

• Formula: C13 H18 Cl3 O2 Ta
• Calculated formula: C13 H18 Cl3 O2 Ta
• SMILES: [Ta]12(Cl)(Cl)(Cl)([O](C)CC[O]1C)C(=C2c1ccccc1)C
• Title of publication: Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes
• Authors of publication: Toshiyuki Oshiki
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 7.105 ± 0.003 Å
• b: 12.729 ± 0.005 Å
• c: 18.788 ± 0.008 Å
• α: 90°
• β: 93.69 ± 0.06°
• γ: 90°
• Cell volume: 1695 ± 1 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 5
• 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