Information card for entry 7706621

Structure parameters

• Formula: C17 H19 Cl3 N S2 Ta
• Calculated formula: C17 H19 Cl3 N S2 Ta
• Title of publication: Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.
• Authors of publication: Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 4036 - 4044
• a: 16.1531 ± 0.0019 Å
• b: 8.2431 ± 0.001 Å
• c: 16.1868 ± 0.0017 Å
• α: 90°
• β: 116.994 ± 0.003°
• γ: 90°
• Cell volume: 1920.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No