Information card for entry 7016319

Structure parameters

• Formula: C17 H25 Cl3 N Si Ta
• Calculated formula: C17 H25 Cl3 N Si Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)([N](C)(C)Cc6c5cccc6)[c]5([cH]1[cH]2[cH]3[cH]45)[Si](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: 6.9267 ± 0.0004 Å
• b: 12.01 ± 0.003 Å
• c: 12.436 ± 0.0011 Å
• α: 98.51 ± 0.03°
• β: 100.782 ± 0.006°
• γ: 93.191 ± 0.014°
• Cell volume: 1001.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No