Information card for entry 7710889

Structure parameters

• Formula: C27 H33 Cl2 N3 Ti
• Calculated formula: C27 H33 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C5N(C=CN5C56CC7CC(C5)CC(C6)C7)c5c(cc(cc5C)C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 9.9759 ± 0.0001 Å
• b: 11.3019 ± 0.0001 Å
• c: 22.1158 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.48 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No