Information card for entry 7032615

Structure parameters

• Chemical name: alpha,alpha-bis(ethylthio)-o-xylene di(tantalum pentachloride)
• Formula: C12 H18 Cl10 S2 Ta2
• Calculated formula: C12 H18 Cl10 S2 Ta2
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(Cl)[S](CC)Cc1ccccc1C[S]([Ta](Cl)(Cl)(Cl)(Cl)Cl)CC
• Title of publication: Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films.
• Authors of publication: Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16640 - 16648
• a: 12.437 ± 0.005 Å
• b: 17.574 ± 0.003 Å
• c: 11.745 ± 0.002 Å
• α: 90°
• β: 98.859 ± 0.007°
• γ: 90°
• Cell volume: 2536.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No