Information card for entry 7710888

Structure parameters

• Formula: C26 H36 Cl5 N3 Ti
• Calculated formula: C26 H36 Cl5 N3 Ti
• SMILES: [Ti](Cl)(Cl)(Cl)N=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)c1c(cccc1C(C)C)C(C)C.ClCCl
• 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: 9.8202 ± 0.0004 Å
• b: 13.2868 ± 0.0006 Å
• c: 14.4204 ± 0.0007 Å
• α: 63.091 ± 0.005°
• β: 81.445 ± 0.004°
• γ: 76.358 ± 0.004°
• Cell volume: 1628.58 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0667
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No