Information card for entry 7016269

Structure parameters

• Formula: C9 H27 Cl2 P2 Ta
• Calculated formula: C9 H27 Cl2 P2 Ta
• SMILES: [Ta]([P](C)(C)C)([P](C)(C)C)(Cl)(Cl)(C)(C)C
• 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: 25.613 ± 0.003 Å
• b: 9.3349 ± 0.0009 Å
• c: 13.9838 ± 0.0014 Å
• α: 90°
• β: 98.267 ± 0.001°
• γ: 90°
• Cell volume: 3308.7 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No