Information card for entry 7717727

Structure parameters

• Formula: C30 H38 Cl3 N3 Ta
• Calculated formula: C30 H38 Cl3 N3 Ta
• Title of publication: Two-fold proton coupled electron transfer of a Ta(V) aniline complex mediated by a redox active NNN pincer ligand.
• Authors of publication: Pavlidis, Sotirios; Alasadi, Jasmin; Opis-Basilio, Amanda; Abbenseth, Josh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 21.2427 ± 0.0005 Å
• b: 17.399 ± 0.0005 Å
• c: 16.6559 ± 0.0004 Å
• α: 90°
• β: 100.423 ± 0.001°
• γ: 90°
• Cell volume: 6054.5 ± 0.3 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No