Information card for entry 4064936

Structure parameters

• Formula: C44 H60 N7 O2 Ta
• Calculated formula: C44 H60 N7 O2 Ta
• SMILES: c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[Ta]134(N2c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O4)([N](=NN1C)c1ccc(cc1)C)N(/N=N/3C)c1ccc(cc1)C
• Title of publication: Reactivity of Organometallic Tantalum Complexes Containing a Bis(phenoxy)amide (ONO)3‒Ligand with Aryl Azides and 1,2-Diphenylhydrazine
• Authors of publication: Zarkesh, Ryan A.; Heyduk, Alan F.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4890
• a: 19.966 ± 0.0015 Å
• b: 17.1104 ± 0.0013 Å
• c: 12.9621 ± 0.001 Å
• α: 90°
• β: 101.503 ± 0.001°
• γ: 90°
• Cell volume: 4339.3 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No