Information card for entry 4089114

Structure parameters

• Formula: C40 H58 Al2 N2 O2
• Calculated formula: C40 H58 Al2 N2 O2
• SMILES: C[Al]1(C)[N](=Cc2c(c(C(C)(C)C)cc(c2)C(C)(C)C)O1)c1ccccc1[N]1[Al](C)(C)Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C=1
• 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: 39.9899 ± 0.0003 Å
• b: 21.8307 ± 0.0002 Å
• c: 9.3498 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8162.45 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No