Information card for entry 4082796

Structure parameters

• Formula: C135 H143 Al2 B2 F30 O4 S4
• Calculated formula: C135 H143 Al2 B2 F30 O4 S4
• Title of publication: Neutral Methyl and Cationic Aluminum Complexes Supported by atrans-1,2-Cyclooctanediyl-Bridged [OSSO]-Type Bis(phenolato) Ligand: Synthesis, Structures, and Use in Catalysis for Propylene Oxide Polymerization
• Authors of publication: Nakata, Norio; Saito, Yusuke; Ishii, Akihiko
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1840
• a: 16.8797 ± 0.0015 Å
• b: 17.8986 ± 0.0016 Å
• c: 21.649 ± 0.002 Å
• α: 79.517 ± 0.001°
• β: 82.126 ± 0.001°
• γ: 82.793 ± 0.001°
• Cell volume: 6336.8 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No