Information card for entry 7717918

Structure parameters

• Formula: C45 H61 N3 Ti
• Calculated formula: C45 H61 N3 Ti
• Title of publication: Synthesis, characterization and functionalization of titanium κ¹<i>N</i> amidinato complexes from carbodiimides.
• Authors of publication: Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 1972 - 1979
• a: 18.4897 ± 0.0007 Å
• b: 10.5066 ± 0.0004 Å
• c: 19.5043 ± 0.0007 Å
• α: 90°
• β: 104.095 ± 0.0013°
• γ: 90°
• Cell volume: 3674.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No