Information card for entry 7717912

Structure parameters

• Formula: C72 H80 D6 N4 Ti
• Calculated formula: C72 H80 D6 N4 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: 10.7094 ± 0.0003 Å
• b: 14.8769 ± 0.0005 Å
• c: 19.1824 ± 0.0006 Å
• α: 90.748 ± 0.0017°
• β: 100.96 ± 0.0016°
• γ: 94.3094 ± 0.0016°
• Cell volume: 2990.8 ± 0.16 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: 0.0455
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No