Information card for entry 7016270

Structure parameters

• Formula: C3 H9 Cl2 Ta
• Calculated formula: C3 H9 Cl2 Ta
• Title of publication: Structural characterization of TaMe(3)Cl(2) and Ta(PMe(3))(2)Me(3)Cl(2), a pair of five and seven-coordinate d(0) tantalum methyl compounds.
• Authors of publication: Sattler, Aaron; Ruccolo, Serge; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7777 - 7782
• a: 7.431 ± 0.002 Å
• b: 7.431 ± 0.002 Å
• c: 8.058 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 385.35 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0128
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No