Information card for entry 7717911

Structure parameters

• Formula: C39 H53 N3 Ti
• Calculated formula: C39 H53 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: 34.7739 ± 0.0009 Å
• b: 34.7739 ± 0.0009 Å
• c: 10.5045 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12702.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No