Information card for entry 7016318

Structure parameters

• Formula: C14 H17 Cl3 N Ta
• Calculated formula: C14 H17 Cl3 N Ta
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ta]12345(c2c(C[N]1(C)C)cccc2)(Cl)(Cl)Cl
• Title of publication: Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds.
• Authors of publication: Galajov, Miguel; Galindo, Agustín; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar; Parra, Andrés
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8399 - 8406
• a: 14.3962 ± 0.001 Å
• b: 6.8838 ± 0.0003 Å
• c: 15.891 ± 0.002 Å
• α: 90°
• β: 109.953 ± 0.007°
• γ: 90°
• Cell volume: 1480.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No