Information card for entry 7235733

Structure parameters

• Formula: C59 H96 N2 O8 Zr2
• Calculated formula: C59 H96 N2 O8 Zr2
• Title of publication: Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2
• Authors of publication: Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 36
• Pages of publication: 28536
• a: 11.176 ± 0.0003 Å
• b: 11.3344 ± 0.0003 Å
• c: 26.2444 ± 0.0008 Å
• α: 94.36 ± 0.002°
• β: 101.224 ± 0.002°
• γ: 100.485 ± 0.002°
• Cell volume: 3184.95 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No