Information card for entry 7016320

Structure parameters

• Formula: C19 H27 Cl3 N Ta
• Calculated formula: C19 H27 Cl3 N Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)([N](Cc6c5cccc6)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 9.0558 ± 0.0007 Å
• b: 14.3574 ± 0.0008 Å
• c: 15.7514 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No