Information card for entry 4089112

Structure parameters

• Formula: C143 H216 N4 O16 Zr4
• Calculated formula: C143 H216 N4 O16 Zr4
• 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: 10.61 ± 0.0003 Å
• b: 13.4662 ± 0.0003 Å
• c: 27.2278 ± 0.0007 Å
• α: 101.501 ± 0.002°
• β: 90.51 ± 0.002°
• γ: 107.84 ± 0.002°
• Cell volume: 3618.57 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No