Information card for entry 7004532

Structure parameters

• Formula: C61.25 H56 N6 O2 Ti
• Calculated formula: C61.25 H56 N6 O2 Ti
• Title of publication: Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands
• Authors of publication: Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5930 - 5944
• a: 15.2184 ± 0.0017 Å
• b: 19.767 ± 0.002 Å
• c: 19.104 ± 0.002 Å
• α: 90°
• β: 98.488 ± 0.002°
• γ: 90°
• Cell volume: 5684 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No