Information card for entry 7027784

Structure parameters

• Formula: C56 H64 N2 O4 Zr
• Calculated formula: C56 H64 N2 O4 Zr
• SMILES: [Zr]123(Oc4c(cc(cc4C=[N]2c2cccc(c2c2c(cccc2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C)C)C(C)(C)C)C(C)(C)C)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Non-planar co-ordination of C2-symmetric biaryl-bridged Schiff-base ligands: well expressed chiral ligand environments for zirconium †
• Authors of publication: Woodman, Paul R.; Munslow, Ian J.; Hitchcock, Peter B.; Scott, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 4069
• a: 13.21 ± 0.01 Å
• b: 13.557 ± 0.008 Å
• c: 15.287 ± 0.007 Å
• α: 69.35 ± 0.05°
• β: 74.15 ± 0.05°
• γ: 77.73 ± 0.05°
• Cell volume: 2444 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1494
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections: 0.3742
• Weighted residual factors for significantly intense reflections: 0.3364
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No