Information card for entry 4326144

Structure parameters

• Formula: C55 H53 B N O P
• Calculated formula: C55 H53 B N O P
• SMILES: [P+](Nc1c(cccc1C(C)C)C(C)C)(C)(c1cccc2c1oc1c2cccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.865 ± 0.002 Å
• b: 22.917 ± 0.005 Å
• c: 23.616 ± 0.005 Å
• α: 90°
• β: 97.384 ± 0.003°
• γ: 90°
• Cell volume: 5294.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No