Information card for entry 4089111

Structure parameters

• Formula: C43 H64 N2 O4 Zr
• Calculated formula: C43 H64 N2 O4 Zr
• Title of publication: Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers
• Authors of publication: Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 22
• Pages of publication: 3837
• a: 14.9527 ± 0.0004 Å
• b: 20.9673 ± 0.0004 Å
• c: 15.1609 ± 0.0005 Å
• α: 90°
• β: 115.285 ± 0.003°
• γ: 90°
• Cell volume: 4297.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No