Information card for entry 4080393

Structure parameters

• Formula: C16 H23 F6 O8 S3 Ta
• Calculated formula: C16 H23 F6 O8 S3 Ta
• Title of publication: Insertion Reactions in Ta‒H and Ta‒Me Bonds in Complexes Containing Tridentate κ3O,S,O-Type Ligands
• Authors of publication: Fernández-Gallardo, Jacob; Bajo, Ángel; Fandos, Rosa; Otero, Antonio; Rodr\?íguez, Ana; Ruiz, María José
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1752
• a: 8.8889 ± 0.0018 Å
• b: 9.8859 ± 0.0019 Å
• c: 14.654 ± 0.003 Å
• α: 84.953 ± 0.005°
• β: 82.566 ± 0.004°
• γ: 73.729 ± 0.004°
• Cell volume: 1223.9 ± 0.4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No