Information card for entry 4332758

Structure parameters

• Formula: C28 H42 N6 Ti
• Calculated formula: C28 H42 N6 Ti
• SMILES: [Ti]12(N(C)C)(N(C)C)(N(C3=[N]1CCC3)c1cc(cc(c1)C)C)N(C1=[N]2CCC1)c1cc(cc(c1)C)C
• 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: 15.973 ± 0.0005 Å
• b: 8.249 ± 0.0003 Å
• c: 22.588 ± 0.001 Å
• α: 90°
• β: 110.315 ± 0.0017°
• γ: 90°
• Cell volume: 2791.1 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1823
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No