Information card for entry 4087350

Structure parameters

• Formula: C28 H34 Cl N3 S2 Ta
• Calculated formula: C28 H34 Cl N3 S2 Ta
• Title of publication: Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.
• Authors of publication: Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Pages of publication: 7492 - 7499
• a: 28.2002 ± 0.0012 Å
• b: 13.4469 ± 0.0006 Å
• c: 14.703 ± 0.0007 Å
• α: 90°
• β: 101.852 ± 0.002°
• γ: 90°
• Cell volume: 5456.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.464
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No