Information card for entry 2312591

Structure parameters

• Chemical name: μ-Oxido-bis(μ-5-phenyltetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^3^)\ bis[(dimethylamido)tris(5-phenyltetrazolato-κ<i>N</i>^2^)tantalum(V)] toluene 0.25-solvate
• Formula: C65.75 H70 N36 O Ta2
• Calculated formula: C65.75 H70 N36 O Ta2
• Title of publication: Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.
• Authors of publication: Bikzhanova, Galina A.; Guzei, Ilia A.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 22.5131 ± 0.0008 Å
• b: 25.5101 ± 0.0009 Å
• c: 26.7165 ± 0.0009 Å
• α: 90°
• β: 101.383 ± 0.0004°
• γ: 90°
• Cell volume: 15041.8 ± 0.9 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105.15 K
• Number of distinct elements: 5
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0681
• 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: Yes
• Has Fobs: No