Information card for entry 2312589

Structure parameters

• Chemical name: Bis(dimethylammonium) tris(μ-5-phenyltetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[bis(dimethylamido)(5-phenyltetrazolato-κ<i>N</i>^2^)titanium] benzene 1.45-solvate
• Formula: C45 H57 N25 Ti2
• Calculated formula: C45 H57 N25 Ti2
• 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: 11.6292 ± 0.0009 Å
• b: 22.6611 ± 0.0017 Å
• c: 22.3631 ± 0.0017 Å
• α: 90°
• β: 93.857 ± 0.001°
• γ: 90°
• Cell volume: 5880 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No