Information card for entry 7051830

Structure parameters

• Formula: C16 H24 Cl2 N2 O2 Ti
• Calculated formula: C16 H24 Cl2 N2 O2 Ti
• Title of publication: Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands
• Authors of publication: Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 540
• a: 8.7977 ± 0.0005 Å
• b: 13.4237 ± 0.0007 Å
• c: 16.4837 ± 0.0009 Å
• α: 90°
• β: 97.906 ± 0.001°
• γ: 90°
• Cell volume: 1928.18 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No