Information card for entry 7004527

Structure parameters

• Formula: C85 H65 N6 O3 Y
• Calculated formula: C85 H65 N6 O3 Y
• SMILES: [Y]1234([N](c5c(c6c([O]4C)ccc4c6cccc4)c4c(cc5)cccc4)=Cc4n1ccc4)([N](=Cc1n2ccc1)c1c(c2c(OC)ccc4c2cccc4)c2c(cc1)cccc2)[N](c1c(c2c(OC)ccc4c2cccc4)c2c(cc1)cccc2)=Cc1n3ccc1.Cc1ccccc1
• 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: 13.782 ± 0.006 Å
• b: 15.196 ± 0.007 Å
• c: 36.501 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7644 ± 6 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: 0.1792
• Residual factor for significantly intense reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.3392
• Weighted residual factors for all reflections included in the refinement: 0.365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No