Information card for entry 4332757

Structure parameters

• Formula: C24 H34 N6 Ti
• Calculated formula: C24 H34 N6 Ti
• SMILES: [Ti]12(N(C)C)([N]3=C(N1c1ccccc1)CCC3)(N(C)C)[N]1=C(N2c2ccccc2)CCC1
• Title of publication: 2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV
• Authors of publication: Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7777 - 7787
• a: 8.605 ± 0.005 Å
• b: 16.71 ± 0.005 Å
• c: 16.677 ± 0.005 Å
• α: 90°
• β: 93.63 ± 0.05°
• γ: 90°
• Cell volume: 2393.2 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1726
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No