Information card for entry 7025488

Structure parameters

• Formula: C63 H83 Cl3 N4 O8 Zr2
• Calculated formula: C63 H83 Cl3 N4 O8 Zr2
• SMILES: [Zr]1234([OH][Zr]567(Cl)(Cl)[O]1c1c([N]6(Cc6[n]5cccc6)Cc5c(O7)c(C(C)(C)C)cc(c5)C(C)(C)C)cccc1)(Cl)Oc1c([N]2(Cc2[n]3cccc2)Cc2c(O4)c(cc(c2)C(C)(C)C)C(C)(C)C)cccc1.C(=O)(C)C.O=C(C)C.O=C(C)C
• Title of publication: Preparation and structures of enantiomeric dinuclear zirconium and hafnium complexes containing two homochiral N atoms, and their catalytic property for polymerization of rac-lactide.
• Authors of publication: Hu, Minggang; Wang, Mei; Zhu, Hongjun; Zhang, Lu; Zhang, Hui; Sun, Licheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4440 - 4446
• a: 14.6214 ± 0.0013 Å
• b: 15.8246 ± 0.0014 Å
• c: 27.544 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6373.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No