Information card for entry 7710892

Structure parameters

• Formula: C44.5 H57 Cl3 N6 Ti
• Calculated formula: C44.5 H57 Cl3 N6 Ti
• Title of publication: Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.
• Authors of publication: Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 30
• Pages of publication: 11448 - 11456
• a: 13.2464 ± 0.00004 Å
• b: 13.47847 ± 0.00004 Å
• c: 24.79338 ± 0.00008 Å
• α: 90°
• β: 101.079 ± 0.0003°
• γ: 90°
• Cell volume: 4344.13 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0462
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No