Information card for entry 7004533

Structure parameters

• Formula: C63 H58 N6 O2 Zr
• Calculated formula: C63 H58 N6 O2 Zr
• 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: 12.9851 ± 0.0004 Å
• b: 19.0596 ± 0.0005 Å
• c: 21.8018 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5395.7 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No