Information card for entry 4068255

Structure parameters

• Common name: Tantalum chloride oxo amide
• Chemical name: Tantalum chloride oxo amide
• Formula: C12 H36 Cl2 N6 O Ta2
• Calculated formula: C12 H36 Cl2 N6 O Ta2
• SMILES: CN(C)[Ta]12([Cl][Ta]([Cl]1)(N(C)C)(N(C)C)(N(C)C)O2)(N(C)C)N(C)C
• Title of publication: Crystal Structure of TaCl(NMe2)4and Its Reactions with Lithium Amides and Water. Indirect Observation of an Equilibrium among TaCl(NMe2)4, Ta(NMe2)5and Ta2(μ-Cl)2(NMe2)6Cl2
• Authors of publication: Chen, Shu-Jian; Cai, Hu; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 167
• a: 11.3925 ± 0.0015 Å
• b: 12.6912 ± 0.0016 Å
• c: 16.326 ± 0.002 Å
• α: 90°
• β: 108.839 ± 0.002°
• γ: 90°
• Cell volume: 2234 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No