Information card for entry 7032614

Structure parameters

• Formula: C7 H15 Cl6 Ta Te2
• Calculated formula: C7 H15 Cl6 Ta Te2
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Te]1[Te+](C(C)(C)C)CCC1
• 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: 7.433 ± 0.001 Å
• b: 9.1611 ± 0.0012 Å
• c: 25.663 ± 0.003 Å
• α: 90°
• β: 90.217 ± 0.006°
• γ: 90°
• Cell volume: 1747.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2054
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0588
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No