Information card for entry 4326143

Structure parameters

• Formula: C55 H33 B F20 N O P
• Calculated formula: C55 H33 B F20 N O P
• SMILES: [P+](Nc1c(cccc1C(C)C)C(C)C)(C)(c1cccc2c1oc1c2cccc1)c1ccccc1.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold
• Authors of publication: Hongsui Sun; Jamie S. Ritch; Paul G. Hayes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8063 - 8072
• a: 12.4247 ± 0.001 Å
• b: 12.4483 ± 0.001 Å
• c: 16.2906 ± 0.0013 Å
• α: 77.596 ± 0.001°
• β: 85.955 ± 0.001°
• γ: 89.218 ± 0.001°
• Cell volume: 2454.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No