Information card for entry 2312590

Structure parameters

• Chemical name: Bis(dimethylamido)-1κ<i>N</i>,2κ<i>N</i>-bis(dimethylamine)-1κ<i>N</i>,2κ<i>N</i>-tris(μ-5-phenyltetrazolato-1:2κ^2^<i>N</i>^2^:<i>N</i>^3^)tris(5-phenyltetrazolato)-1κ^2^<i>N</i>^2^;2κ^2^<i>N</i>^2^,<i>N</i>^3^- dizirconium(III)]–benzene–dichloromethane (1/1.12/0.38)
• Formula: C57.09 H63.47 Cl0.76 N28 Zr2
• Calculated formula: C57.0925 H63.474 Cl0.763 N28 Zr2
• 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: 13.9631 ± 0.0005 Å
• b: 16.7619 ± 0.0006 Å
• c: 27.3054 ± 0.0009 Å
• α: 86.902 ± 0.001°
• β: 81.154 ± 0.001°
• γ: 89.969 ± 0.001°
• Cell volume: 6305.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No